#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pg5 n LYS 2 N 0.00 0.00 -2.51 3.23 4.81 -1.26 -4.39 118.16 118.04 1pg5 n LYS 2 Ca 0.00 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 57.04 1pg5 n LYS 2 Cb 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.01 1pg5 n LYS 2 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 1pg5 s HIS 3 N 0.00 3.62 -0.53 5.64 3.76 -1.26 -4.43 115.29 122.09 1pg5 s HIS 3 Ca 0.00 1.69 0.03 0.00 -0.15 0.00 0.00 55.06 56.63 1pg5 s HIS 3 Cb 0.00 -3.25 0.13 0.00 1.11 0.00 0.00 32.58 30.57 1pg5 s HIS 3 CO 0.00 -0.48 0.29 0.42 -0.85 0.00 0.00 174.74 174.12 1pg5 s ILE 4 N -0.87 2.76 -0.09 0.60 -1.09 -0.01 -4.90 121.20 117.60 1pg5 s ILE 4 Ca 0.46 -3.26 0.08 0.00 -2.23 0.00 0.00 60.65 55.70 1pg5 s ILE 4 Cb -0.31 -2.90 -0.11 0.00 -1.58 0.00 0.00 42.46 37.56 1pg5 s ILE 4 CO 0.38 -0.81 0.03 2.30 -1.23 0.00 0.00 174.94 175.61 1pg5 n ILE 5 N 3.18 0.64 -4.21 2.92 -5.35 -1.26 -0.77 119.36 114.50 1pg5 n ILE 5 Ca 0.05 -0.39 -0.17 0.00 -0.27 0.00 0.00 62.75 61.98 1pg5 n ILE 5 Cb 0.33 -0.75 -0.11 0.00 -1.74 0.00 0.00 39.64 37.37 1pg5 n ILE 5 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1pg5 s SER 6 N -4.14 1.75 0.62 7.28 0.15 -1.26 -4.67 113.70 113.42 1pg5 s SER 6 Ca -0.05 -0.79 0.35 0.00 0.70 0.00 0.00 55.95 56.16 1pg5 s SER 6 Cb 0.03 -0.04 2.04 0.00 -1.71 0.00 0.00 66.02 66.34 1pg5 s SER 6 CO 0.38 -0.19 2.29 0.00 1.20 0.00 0.00 173.24 176.93 1pg5 h ALA 7 N 3.60 1.31 0.00 5.45 0.00 -1.89 -1.15 119.26 126.58 1pg5 h ALA 7 Ca -0.39 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1pg5 h ALA 7 Cb 1.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1pg5 h ALA 7 CO 0.51 0.01 0.00 1.88 0.00 0.00 0.00 179.25 181.64 1pg5 h TYR 8 N 0.00 0.00 0.00 0.00 0.05 -1.93 -3.01 116.97 112.08 1pg5 h TYR 8 Ca -0.00 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 1pg5 h TYR 8 Cb 0.02 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.76 1pg5 h TYR 8 CO 0.00 0.00 -0.00 -0.91 -1.05 0.00 0.00 178.16 176.20 1pg5 h ASN 9 N 0.00 0.00 -3.27 3.88 2.35 -1.58 -3.43 115.58 113.53 1pg5 h ASN 9 Ca 0.00 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 55.17 1pg5 h ASN 9 Cb 0.38 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.68 1pg5 h ASN 9 CO 0.00 0.00 -0.09 -0.36 -1.65 0.00 0.00 177.43 175.33 1pg5 s PHE 10 N -4.44 3.61 0.55 1.19 0.08 -1.14 -4.96 117.98 112.88 1pg5 s PHE 10 Ca -0.05 1.04 -0.04 0.00 0.12 0.00 0.00 56.93 58.00 1pg5 s PHE 10 Cb 0.14 -2.54 0.01 0.00 -0.57 0.00 0.00 43.02 40.06 1pg5 s PHE 10 CO 0.50 0.31 0.83 -1.54 -0.10 0.00 0.00 175.22 175.22 1pg5 s SER 11 N 0.05 5.58 0.24 1.36 1.04 -1.26 -4.96 113.70 115.75 1pg5 s SER 11 Ca 0.28 0.52 -0.06 0.00 0.48 0.00 0.00 55.95 57.17 1pg5 s SER 11 Cb -0.17 -1.55 0.30 0.00 0.10 0.00 0.00 66.02 64.71 1pg5 s SER 11 CO 0.14 -1.00 1.87 -0.09 0.98 0.00 0.00 173.24 175.14 1pg5 h ARG 12 N -0.02 1.03 -1.01 4.02 2.43 -1.99 -0.79 114.38 118.06 1pg5 h ARG 12 Ca -0.45 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 58.67 1pg5 h ARG 12 Cb 1.26 -0.23 -0.05 0.00 -0.42 0.00 0.00 29.97 30.53 1pg5 h ARG 12 CO 0.59 0.68 0.67 -0.44 -1.51 0.00 0.00 179.97 179.96 1pg5 h ASP 13 N 1.06 1.16 -0.02 -3.80 5.19 -1.95 -2.21 116.42 115.85 1pg5 h ASP 13 Ca 0.36 -0.03 -0.20 0.00 -0.62 0.00 0.00 57.03 56.55 1pg5 h ASP 13 Cb 0.07 -0.29 0.00 0.00 0.18 0.00 0.00 39.33 39.30 1pg5 h ASP 13 CO -0.14 0.84 -0.69 -0.33 -3.12 0.00 0.00 179.24 175.79 1pg5 h GLU 14 N 1.37 0.65 -0.89 3.56 5.08 -1.71 -2.84 114.58 119.80 1pg5 h GLU 14 Ca 0.37 -0.49 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1pg5 h GLU 14 Cb -0.16 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 1pg5 h GLU 14 CO -0.08 1.11 0.50 -0.07 -1.00 0.00 0.00 179.01 179.48 1pg5 h LEU 15 N 0.46 1.09 -1.02 1.33 3.38 -0.98 -1.75 115.31 117.83 1pg5 h LEU 15 Ca -0.03 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.76 1pg5 h LEU 15 Cb 1.29 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1pg5 h LEU 15 CO 0.14 0.86 -0.40 -0.33 0.09 0.00 0.00 178.44 178.80 1pg5 h GLU 16 N 1.24 0.18 -0.39 1.13 4.39 -1.29 -0.72 114.58 119.12 1pg5 h GLU 16 Ca 0.31 -0.08 -0.07 0.00 0.34 0.00 0.00 59.36 59.86 1pg5 h GLU 16 Cb 0.00 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 1pg5 h GLU 16 CO -0.05 0.55 -0.03 0.22 -1.16 0.00 0.00 179.01 178.54 1pg5 h ASP 17 N 0.15 0.70 -0.53 1.42 1.82 -1.25 -2.53 116.42 116.20 1pg5 h ASP 17 Ca 0.01 -0.33 -0.05 0.00 -0.39 0.00 0.00 57.03 56.28 1pg5 h ASP 17 Cb 0.78 -0.19 -0.03 0.00 0.68 0.00 0.00 39.33 40.57 1pg5 h ASP 17 CO 0.06 0.86 0.17 0.40 -1.61 0.00 0.00 179.24 179.12 1pg5 h ILE 18 N 0.52 1.22 -0.40 2.25 2.04 -0.83 -1.50 117.51 120.82 1pg5 h ILE 18 Ca 0.11 -0.77 -0.02 0.00 1.00 0.00 0.00 64.86 65.17 1pg5 h ILE 18 Cb 0.52 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 1pg5 h ILE 18 CO 0.03 0.30 0.16 -0.26 0.00 0.00 0.00 178.15 178.37 1pg5 h PHE 19 N 0.84 0.61 -0.64 1.37 0.05 -1.01 0.00 116.94 118.17 1pg5 h PHE 19 Ca 0.19 -0.05 -0.05 0.00 3.82 0.00 0.00 57.97 61.88 1pg5 h PHE 19 Cb 0.25 -0.18 -0.03 0.00 2.00 0.00 0.00 35.95 37.99 1pg5 h PHE 19 CO 0.02 0.55 0.21 0.00 -0.18 0.00 0.00 178.31 178.90 1pg5 h ALA 20 N 1.00 1.15 -0.16 2.45 0.00 -1.12 -0.97 119.26 121.61 1pg5 h ALA 20 Ca 0.13 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 1pg5 h ALA 20 Cb 0.20 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1pg5 h ALA 20 CO -0.01 0.59 -0.51 -0.07 0.00 0.00 0.00 179.25 179.25 1pg5 h LEU 21 N 0.94 0.49 -0.62 0.00 3.38 -1.02 -2.73 115.31 115.75 1pg5 h LEU 21 Ca 0.21 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1pg5 h LEU 21 Cb 0.26 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1pg5 h LEU 21 CO -0.01 0.92 0.26 0.74 0.09 0.00 0.00 178.44 180.44 1pg5 h THR 22 N 0.35 1.23 -0.52 0.22 2.02 -0.16 -1.36 112.91 114.70 1pg5 h THR 22 Ca 0.01 -0.70 0.10 0.00 0.77 0.00 0.00 66.41 66.59 1pg5 h THR 22 Cb 1.02 0.54 -0.09 0.00 -1.74 0.00 0.00 68.15 67.88 1pg5 h THR 22 CO 0.09 0.28 -0.05 0.44 0.37 0.00 0.00 175.52 176.65 1pg5 h ASP 23 N 0.86 -0.32 -0.31 4.18 3.32 -1.09 -0.69 116.42 122.37 1pg5 h ASP 23 Ca 0.21 0.14 -0.04 0.00 0.02 0.00 0.00 57.03 57.35 1pg5 h ASP 23 Cb 0.19 0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1pg5 h ASP 23 CO -0.02 -0.12 0.02 0.50 -1.72 0.00 0.00 179.24 177.90 1pg5 h LYS 24 N 0.07 0.53 -0.08 3.56 3.64 -1.12 -2.85 116.57 120.32 1pg5 h LYS 24 Ca 0.26 -0.16 -0.18 0.00 -1.27 0.00 0.00 60.65 59.30 1pg5 h LYS 24 Cb 0.40 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1pg5 h LYS 24 CO -0.48 0.66 -0.71 1.88 -2.27 0.00 0.00 179.45 178.53 1pg5 h TYR 25 N 0.34 0.52 -0.62 1.91 0.99 -0.99 -2.90 116.97 116.22 1pg5 h TYR 25 Ca 0.09 -0.22 0.13 0.00 2.00 0.00 0.00 58.73 60.72 1pg5 h TYR 25 Cb 0.40 -0.08 -0.11 0.00 1.00 0.00 0.00 36.73 37.94 1pg5 h TYR 25 CO 0.03 0.97 -0.03 0.77 -0.00 0.00 0.00 178.16 179.90 1pg5 h SER 26 N 0.27 -0.34 0.00 3.88 0.02 -1.10 -3.32 113.55 112.96 1pg5 h SER 26 Ca -0.03 0.16 -0.66 0.00 -0.84 0.00 0.00 61.79 60.42 1pg5 h SER 26 Cb 1.28 0.29 -0.00 0.00 0.14 0.00 0.00 62.40 64.11 1pg5 h SER 26 CO 0.12 -0.14 2.99 0.29 -1.14 0.00 0.00 176.83 178.96 1pg5 n LYS 27 N -5.31 2.57 -0.10 3.45 5.02 -1.08 -4.82 118.16 117.89 1pg5 n LYS 27 Ca 0.09 -2.24 -0.02 0.00 -2.02 0.00 0.00 58.31 54.11 1pg5 n LYS 27 Cb 0.35 -3.04 -0.01 0.00 -0.02 0.00 0.00 35.03 32.30 1pg5 n LYS 27 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1pg5 n ASN 28 N 5.89 0.58 -4.60 4.39 5.15 -1.25 -4.92 115.26 120.51 1pg5 n ASN 28 Ca 0.55 -1.74 -0.30 0.00 -0.60 0.00 0.00 54.58 52.49 1pg5 n ASN 28 Cb 0.35 -0.28 0.20 0.00 -0.53 0.00 0.00 39.78 39.51 1pg5 n ASN 28 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1pg5 s LEU 29 N 0.01 1.95 0.00 1.20 1.02 -1.26 -4.89 118.68 116.71 1pg5 s LEU 29 Ca 0.06 1.84 0.16 0.00 0.02 0.00 0.00 54.13 56.21 1pg5 s LEU 29 Cb 0.02 -4.03 0.47 0.00 0.02 0.00 0.00 46.19 42.67 1pg5 s LEU 29 CO -0.00 -3.50 1.39 -0.46 0.02 0.00 0.00 176.35 173.80 1pg5 n ASN 30 N -4.47 2.62 -0.84 2.29 2.04 -1.26 -3.91 115.26 111.73 1pg5 n ASN 30 Ca 0.08 -1.97 0.04 0.00 -0.44 0.00 0.00 54.58 52.28 1pg5 n ASN 30 Cb 0.53 -0.31 0.22 0.00 -2.53 0.00 0.00 39.78 37.69 1pg5 n ASN 30 CO 0.00 0.00 0.00 -0.90 -0.44 0.00 0.00 177.26 175.92 1pg5 n ASP 31 N 0.93 3.00 -4.74 0.53 5.75 -1.26 -5.04 116.55 115.72 1pg5 n ASP 31 Ca 0.17 -3.36 -0.41 0.00 -0.01 0.00 0.00 54.79 51.18 1pg5 n ASP 31 Cb 0.42 -0.56 -0.02 0.00 -1.03 0.00 0.00 41.12 39.93 1pg5 n ASP 31 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1pg5 s THR 32 N -3.02 2.68 0.07 2.12 -4.23 -1.25 -4.92 115.64 107.09 1pg5 s THR 32 Ca 0.41 0.55 -0.31 0.00 -1.18 0.00 0.00 61.69 61.17 1pg5 s THR 32 Cb 0.36 -3.35 -0.08 0.00 1.34 0.00 0.00 72.50 70.76 1pg5 s THR 32 CO 0.04 0.08 1.58 -0.60 -0.54 0.00 0.00 174.62 175.18 1pg5 s ARG 33 N -0.08 4.22 -1.22 3.99 3.52 -1.26 -4.92 118.95 123.20 1pg5 s ARG 33 Ca 0.61 2.25 -0.07 0.00 -0.13 0.00 0.00 55.73 58.40 1pg5 s ARG 33 Cb -0.42 -3.53 0.21 0.00 -1.56 0.00 0.00 34.95 29.65 1pg5 s ARG 33 CO 0.41 -0.68 1.86 1.63 -0.81 0.00 0.00 175.30 177.71 1pg5 n LYS 34 N 5.30 4.15 0.06 5.12 4.76 -1.26 -4.79 118.16 131.50 1pg5 n LYS 34 Ca 0.15 -3.86 0.05 0.00 -2.87 0.00 0.00 58.31 51.78 1pg5 n LYS 34 Cb 0.41 -2.73 0.26 0.00 -1.84 0.00 0.00 35.03 31.13 1pg5 n LYS 34 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 1pg5 n ILE 35 N 2.28 1.49 -0.71 -0.18 -5.35 -1.16 -1.06 119.36 114.67 1pg5 n ILE 35 Ca 0.41 0.52 0.07 0.00 -0.27 0.00 0.00 62.75 63.48 1pg5 n ILE 35 Cb 0.33 -1.49 0.18 0.00 -1.74 0.00 0.00 39.64 36.92 1pg5 n ILE 35 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1pg5 n LEU 36 N -1.79 3.14 -4.75 7.28 4.32 -0.55 -4.76 117.00 119.88 1pg5 n LEU 36 Ca 0.00 -2.69 -0.41 0.00 -0.02 0.00 0.00 56.01 52.89 1pg5 n LEU 36 Cb 0.05 -0.39 -0.02 0.00 -1.62 0.00 0.00 43.42 41.44 1pg5 n LEU 36 CO 0.06 0.67 1.10 -0.55 -1.22 0.00 0.00 177.39 177.46 1pg5 s SER 37 N -1.81 6.60 0.00 -1.43 0.15 -0.22 -1.02 113.70 115.97 1pg5 s SER 37 Ca 0.31 2.75 0.00 0.00 0.70 0.00 0.00 55.95 59.71 1pg5 s SER 37 Cb 0.24 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 1pg5 s SER 37 CO 0.08 -0.72 0.00 0.61 1.20 0.00 0.00 173.24 174.41 1pg5 n GLY 38 N 1.74 0.40 3.67 9.45 0.00 -1.26 -4.97 105.19 114.23 1pg5 n GLY 38 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1pg5 n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pg5 s LYS 39 N -0.69 2.53 -0.18 1.61 1.02 -0.19 -5.01 119.74 118.83 1pg5 s LYS 39 Ca 0.00 -0.83 -0.01 0.00 0.02 0.00 0.00 55.97 55.15 1pg5 s LYS 39 Cb 0.00 -2.53 -0.00 0.00 -0.52 0.00 0.00 37.83 34.78 1pg5 s LYS 39 CO 0.00 0.55 -0.11 0.99 -0.92 0.00 0.00 175.35 175.86 1pg5 s THR 40 N -1.27 2.93 -0.19 2.17 2.01 -1.26 -1.70 115.64 118.33 1pg5 s THR 40 Ca 0.24 -0.66 -0.11 0.00 0.31 0.00 0.00 61.69 61.47 1pg5 s THR 40 Cb -0.12 -2.28 -0.05 0.00 0.01 0.00 0.00 72.50 70.07 1pg5 s THR 40 CO 0.17 0.48 0.17 -0.63 -0.69 0.00 0.00 174.62 174.12 1pg5 s ILE 41 N 1.08 5.39 -0.13 1.82 -1.09 -0.29 -0.31 121.20 127.67 1pg5 s ILE 41 Ca 0.00 0.27 -0.07 0.00 -2.23 0.00 0.00 60.65 58.62 1pg5 s ILE 41 Cb -0.15 -3.51 -0.04 0.00 -1.58 0.00 0.00 42.46 37.19 1pg5 s ILE 41 CO -0.03 0.43 0.14 -0.94 -1.23 0.00 0.00 174.94 173.32 1pg5 s SER 42 N 0.34 6.38 -0.38 3.58 1.04 -0.05 -2.69 113.70 121.93 1pg5 s SER 42 Ca 0.10 0.46 -0.07 0.00 0.48 0.00 0.00 55.95 56.92 1pg5 s SER 42 Cb -0.11 -2.08 0.06 0.00 0.10 0.00 0.00 66.02 63.99 1pg5 s SER 42 CO -0.01 0.39 0.17 -0.63 0.98 0.00 0.00 173.24 174.14 1pg5 s ILE 43 N -0.90 3.90 -0.86 -1.02 1.01 0.11 -1.00 121.20 122.45 1pg5 s ILE 43 Ca 0.14 -1.32 -0.04 0.00 0.00 0.00 0.00 60.65 59.43 1pg5 s ILE 43 Cb -0.12 -3.32 0.21 0.00 0.01 0.00 0.00 42.46 39.24 1pg5 s ILE 43 CO 0.04 -0.35 0.75 0.00 0.00 0.00 0.00 174.94 175.37 1pg5 s ALA 44 N 1.38 4.15 -1.05 9.38 0.00 -0.07 -0.49 121.76 135.06 1pg5 s ALA 44 Ca 0.01 -3.65 -0.07 0.00 0.00 0.00 0.00 51.96 48.25 1pg5 s ALA 44 Cb -0.21 -2.98 0.26 0.00 0.00 0.00 0.00 23.12 20.19 1pg5 s ALA 44 CO 0.02 -2.16 1.02 -0.06 0.00 0.00 0.00 175.76 174.57 1pg5 s PHE 45 N -0.87 4.17 0.42 0.00 2.99 -0.79 -2.41 117.98 121.50 1pg5 s PHE 45 Ca 0.24 -2.76 0.13 0.00 0.00 0.00 0.00 56.93 54.55 1pg5 s PHE 45 Cb -0.11 -3.69 0.99 0.00 0.00 0.00 0.00 43.02 40.21 1pg5 s PHE 45 CO -0.09 -0.90 1.96 0.74 -0.00 0.00 0.00 175.22 176.93 1pg5 h PHE 46 N 6.54 0.50 -3.47 0.36 -1.00 -1.52 -1.08 116.94 117.26 1pg5 h PHE 46 Ca 0.17 0.01 -0.66 0.00 2.81 0.00 0.00 57.97 60.31 1pg5 h PHE 46 Cb 0.86 -0.16 -0.26 0.00 3.61 0.00 0.00 35.95 40.00 1pg5 h PHE 46 CO 0.76 0.23 -0.69 -2.00 -1.61 0.00 0.00 178.31 174.99 1pg5 s GLU 47 N -5.44 3.46 0.55 1.51 2.12 -1.05 -3.88 118.70 115.98 1pg5 s GLU 47 Ca -0.08 -0.58 -0.19 0.00 0.36 0.00 0.00 54.97 54.48 1pg5 s GLU 47 Cb 0.20 -3.11 -0.05 0.00 0.26 0.00 0.00 34.13 31.43 1pg5 s GLU 47 CO 0.76 -0.20 1.13 -2.14 -0.54 0.00 0.00 175.26 174.27 1pg5 s PRO 48 N 1.52 3.30 -0.29 4.30 0.02 -1.25 -4.70 135.00 137.89 1pg5 s PRO 48 Ca 0.06 1.61 0.01 0.00 0.02 0.00 0.00 61.00 62.70 1pg5 s PRO 48 Cb -0.14 -2.00 0.19 0.00 0.02 0.00 0.00 34.50 32.57 1pg5 s PRO 48 CO -0.01 -0.89 0.58 0.45 -0.33 0.00 0.00 177.00 176.80 1pg5 s SER 49 N -1.82 -1.35 0.20 2.53 0.15 -1.26 -5.06 113.70 107.09 1pg5 s SER 49 Ca 0.73 0.65 -0.09 0.00 0.70 0.00 0.00 55.95 57.93 1pg5 s SER 49 Cb -0.24 2.07 0.12 0.00 -1.71 0.00 0.00 66.02 66.26 1pg5 s SER 49 CO 0.28 -0.27 1.75 0.74 1.20 0.00 0.00 173.24 176.94 1pg5 h THR 50 N 6.01 1.25 -0.36 6.45 2.02 -1.98 0.76 112.91 127.07 1pg5 h THR 50 Ca -0.17 -0.83 0.05 0.00 0.77 0.00 0.00 66.41 66.23 1pg5 h THR 50 Cb 1.17 0.44 -0.04 0.00 -1.74 0.00 0.00 68.15 67.98 1pg5 h THR 50 CO 0.23 0.33 0.09 -0.09 0.37 0.00 0.00 175.52 176.46 1pg5 h ARG 51 N 1.04 0.22 0.14 6.66 2.43 -1.99 -0.89 114.38 122.00 1pg5 h ARG 51 Ca 0.24 -0.01 -0.28 0.00 -0.81 0.00 0.00 59.98 59.11 1pg5 h ARG 51 Cb 0.25 -0.05 0.01 0.00 -0.42 0.00 0.00 29.97 29.76 1pg5 h ARG 51 CO -0.01 0.15 -1.28 1.15 -1.51 0.00 0.00 179.97 178.46 1pg5 h THR 52 N 0.23 1.46 -0.49 0.20 2.02 -1.95 -2.52 112.91 111.87 1pg5 h THR 52 Ca 0.17 -3.02 0.08 0.00 0.77 0.00 0.00 66.41 64.41 1pg5 h THR 52 Cb 0.17 2.95 -0.06 0.00 -1.74 0.00 0.00 68.15 69.47 1pg5 h THR 52 CO -0.20 0.88 0.13 0.22 0.37 0.00 0.00 175.52 176.92 1pg5 h TYR 53 N 0.08 0.21 0.00 3.16 5.03 -0.66 -2.49 116.97 122.30 1pg5 h TYR 53 Ca -0.15 0.03 -0.13 0.00 2.58 0.00 0.00 58.73 61.05 1pg5 h TYR 53 Cb 2.00 -0.02 -0.02 0.00 1.55 0.00 0.00 36.73 40.24 1pg5 h TYR 53 CO 0.07 0.03 -0.64 -0.07 -1.32 0.00 0.00 178.16 176.24 1pg5 h LEU 54 N 0.27 0.00 -0.20 2.82 4.07 -1.11 -1.44 115.31 119.72 1pg5 h LEU 54 Ca 0.24 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 58.03 1pg5 h LEU 54 Cb 0.30 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.05 1pg5 h LEU 54 CO -0.29 0.64 -0.57 -1.28 -1.08 0.00 0.00 178.44 175.86 1pg5 h SER 55 N 0.00 0.84 -0.23 -0.43 0.87 -1.05 -1.21 113.55 112.34 1pg5 h SER 55 Ca -0.01 -0.58 -0.19 0.00 -1.23 0.00 0.00 61.79 59.78 1pg5 h SER 55 Cb 1.21 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.92 1pg5 h SER 55 CO 0.08 1.28 -0.58 -0.26 -0.53 0.00 0.00 176.83 176.82 1pg5 h PHE 56 N 0.45 1.05 -0.69 2.24 -1.00 -1.08 -2.19 116.94 115.72 1pg5 h PHE 56 Ca -0.02 -0.39 0.12 0.00 2.81 0.00 0.00 57.97 60.50 1pg5 h PHE 56 Cb 1.19 -0.19 -0.09 0.00 3.61 0.00 0.00 35.95 40.47 1pg5 h PHE 56 CO 0.09 1.21 0.25 0.37 -1.61 0.00 0.00 178.31 178.61 1pg5 h GLN 57 N 0.63 0.39 -0.12 1.51 4.15 -1.20 0.66 115.11 121.12 1pg5 h GLN 57 Ca 0.00 -0.02 -0.22 0.00 0.77 0.00 0.00 58.65 59.18 1pg5 h GLN 57 Cb 1.18 -0.09 0.01 0.00 0.21 0.00 0.00 27.48 28.80 1pg5 h GLN 57 CO 0.13 0.26 -0.78 -0.22 -1.93 0.00 0.00 178.83 176.28 1pg5 h LYS 58 N 0.40 0.74 -0.49 1.69 1.63 -1.15 -1.00 116.57 118.38 1pg5 h LYS 58 Ca 0.37 -0.63 0.04 0.00 -0.85 0.00 0.00 60.65 59.57 1pg5 h LYS 58 Cb 0.53 0.14 -0.04 0.00 -0.60 0.00 0.00 32.23 32.26 1pg5 h LYS 58 CO -0.38 1.24 0.25 0.00 -3.45 0.00 0.00 179.45 177.11 1pg5 h ALA 59 N 0.51 0.63 -0.28 5.00 0.00 -0.73 0.03 119.26 124.42 1pg5 h ALA 59 Ca -0.06 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1pg5 h ALA 59 Cb 1.42 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1pg5 h ALA 59 CO 0.16 -0.09 0.06 0.82 0.00 0.00 0.00 179.25 180.20 1pg5 h ILE 60 N 0.49 1.22 -0.91 0.00 2.04 -0.74 -2.49 117.51 117.13 1pg5 h ILE 60 Ca 0.22 -0.73 -0.01 0.00 1.00 0.00 0.00 64.86 65.34 1pg5 h ILE 60 Cb 0.12 1.17 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 1pg5 h ILE 60 CO -0.15 0.24 0.55 0.40 0.00 0.00 0.00 178.15 179.18 1pg5 h ILE 61 N 0.28 1.25 0.00 -0.67 2.04 -1.03 -1.47 117.51 117.91 1pg5 h ILE 61 Ca 0.09 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 1pg5 h ILE 61 Cb 0.30 -0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.35 1pg5 h ILE 61 CO 0.00 0.26 -0.05 0.78 0.00 0.00 0.00 178.15 179.14 1pg5 h ASN 62 N 1.25 0.00 -0.49 1.72 2.35 -0.67 -1.02 115.58 118.72 1pg5 h ASN 62 Ca 0.33 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.08 1pg5 h ASN 62 Cb -0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.32 1pg5 h ASN 62 CO -0.06 0.05 0.00 0.18 -1.65 0.00 0.00 177.43 175.95 1pg5 n LEU 63 N -4.23 3.18 0.00 1.61 4.32 -0.96 -4.87 117.00 116.05 1pg5 n LEU 63 Ca -0.03 -1.49 0.00 0.00 -0.02 0.00 0.00 56.01 54.47 1pg5 n LEU 63 Cb 0.14 -0.32 0.00 0.00 -1.62 0.00 0.00 43.42 41.61 1pg5 n LEU 63 CO 0.32 0.75 0.00 0.61 -1.22 0.00 0.00 177.39 177.85 1pg5 n GLY 64 N 1.46 0.95 3.78 -0.72 0.00 -0.39 -1.49 105.19 108.79 1pg5 n GLY 64 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 1pg5 n GLY 64 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pg5 s GLY 65 N -1.71 2.34 0.22 -0.02 0.00 -0.59 -3.96 107.32 103.61 1pg5 s GLY 65 Ca 0.00 0.61 -0.25 0.00 0.00 0.00 0.00 44.72 45.08 1pg5 s GLY 65 CO 0.00 0.96 0.83 0.99 0.00 0.00 0.00 173.10 175.88 1pg5 s ASP 66 N -2.29 7.38 -0.15 1.64 1.01 -0.69 -4.15 116.67 119.42 1pg5 s ASP 66 Ca 0.68 1.71 -0.03 0.00 0.71 0.00 0.00 52.55 55.62 1pg5 s ASP 66 Cb -0.20 -2.52 -0.02 0.00 1.01 0.00 0.00 42.92 41.18 1pg5 s ASP 66 CO 0.33 0.12 -0.06 -0.69 0.21 0.00 0.00 175.17 175.08 1pg5 s VAL 67 N -1.30 3.63 0.22 -1.27 1.01 -1.26 -1.14 120.40 120.30 1pg5 s VAL 67 Ca 0.40 -0.45 0.10 0.00 0.00 0.00 0.00 61.98 62.03 1pg5 s VAL 67 Cb -0.22 -2.58 -0.05 0.00 0.00 0.00 0.00 36.38 33.54 1pg5 s VAL 67 CO 0.26 0.50 -0.19 0.27 0.00 0.00 0.00 175.10 175.94 1pg5 s ILE 68 N 0.42 2.11 -0.06 2.22 -4.36 -1.09 -4.99 121.20 115.43 1pg5 s ILE 68 Ca -0.06 -2.20 -0.30 0.00 -0.26 0.00 0.00 60.65 57.84 1pg5 s ILE 68 Cb -0.15 -2.10 0.10 0.00 1.25 0.00 0.00 42.46 41.56 1pg5 s ILE 68 CO 0.04 -0.40 1.34 -0.83 0.24 0.00 0.00 174.94 175.33 1pg5 s GLY 69 N -3.16 -0.20 0.24 6.27 0.00 -1.26 0.06 107.32 109.27 1pg5 s GLY 69 Ca 0.23 0.17 -0.08 0.00 0.00 0.00 0.00 44.72 45.04 1pg5 s GLY 69 CO 0.10 5.88 0.37 -0.11 0.00 0.00 0.00 173.10 179.34 1pg5 s PHE 70 N -2.02 0.68 -0.15 1.90 -0.12 0.35 -4.91 117.98 113.71 1pg5 s PHE 70 Ca 0.30 -0.99 -0.04 0.00 -0.05 0.00 0.00 56.93 56.15 1pg5 s PHE 70 Cb 0.00 -0.08 0.07 0.00 -0.63 0.00 0.00 43.02 42.39 1pg5 s PHE 70 CO -0.02 -0.90 0.17 0.45 -0.05 0.00 0.00 175.22 174.87 1pg5 s SER 71 N -3.08 1.35 0.00 1.98 0.15 -1.26 -1.88 113.70 110.95 1pg5 s SER 71 Ca 0.28 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.84 1pg5 s SER 71 Cb 0.02 0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.53 1pg5 s SER 71 CO 0.11 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.86 1pg5 n GLY 72 N 5.31 -2.30 1.07 9.45 0.00 -0.41 -4.95 105.19 113.37 1pg5 n GLY 72 Ca -0.05 -2.13 0.14 0.00 0.00 0.00 0.00 46.02 43.97 1pg5 n GLY 72 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1pg5 n GLU 73 N -0.09 -2.12 -2.49 1.61 -0.00 -1.26 -4.69 120.64 111.60 1pg5 n GLU 73 Ca 0.00 1.45 -0.42 0.00 -0.00 0.00 0.00 57.16 58.20 1pg5 n GLU 73 Cb 0.00 -2.61 0.01 0.00 -0.00 0.00 0.00 31.44 28.84 1pg5 n GLU 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1pg5 n GLY 81 N -3.30 5.33 3.62 -1.84 0.00 -1.26 -4.92 105.19 102.82 1pg5 n GLY 81 Ca -0.00 -2.35 -0.42 0.00 0.00 0.00 0.00 46.02 43.24 1pg5 n GLY 81 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pg5 s GLU 82 N -1.98 3.96 0.04 1.61 2.12 -1.26 -5.05 118.70 118.14 1pg5 s GLU 82 Ca 0.41 0.68 -0.30 0.00 0.36 0.00 0.00 54.97 56.12 1pg5 s GLU 82 Cb 0.13 -3.74 -0.16 0.00 0.26 0.00 0.00 34.13 30.62 1pg5 s GLU 82 CO -0.03 -0.76 0.75 -1.71 -0.54 0.00 0.00 175.26 172.97 1pg5 n ASN 83 N 6.41 -0.26 -0.23 -1.70 4.05 -1.26 -4.91 115.26 117.36 1pg5 n ASN 83 Ca 0.06 0.93 0.02 0.00 0.45 0.00 0.00 54.58 56.04 1pg5 n ASN 83 Cb 0.48 -0.75 0.14 0.00 1.23 0.00 0.00 39.78 40.88 1pg5 n ASN 83 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 177.26 174.46 1pg5 h LEU 84 N 2.01 0.29 -0.99 1.20 6.46 -2.00 -1.66 115.31 120.63 1pg5 h LEU 84 Ca -0.36 0.08 0.13 0.00 -0.12 0.00 0.00 57.88 57.61 1pg5 h LEU 84 Cb 1.16 0.05 -0.09 0.00 -0.73 0.00 0.00 40.66 41.05 1pg5 h LEU 84 CO 0.51 0.16 0.61 0.00 -0.62 0.00 0.00 178.44 179.10 1pg5 h ALA 85 N 1.46 1.51 -0.04 1.25 0.00 -1.97 -0.08 119.26 121.39 1pg5 h ALA 85 Ca 0.35 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.18 1pg5 h ALA 85 Cb 0.44 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1pg5 h ALA 85 CO -0.33 0.17 -0.50 -0.44 0.00 0.00 0.00 179.25 178.15 1pg5 h ASP 86 N 0.94 0.11 -0.08 0.00 3.45 -1.68 -1.83 116.42 117.32 1pg5 h ASP 86 Ca 0.50 -0.05 -0.09 0.00 0.43 0.00 0.00 57.03 57.82 1pg5 h ASP 86 Cb 0.55 -0.03 0.00 0.00 -0.56 0.00 0.00 39.33 39.29 1pg5 h ASP 86 CO -0.29 0.59 -0.31 0.74 -1.57 0.00 0.00 179.24 178.40 1pg5 h THR 87 N 0.08 1.41 -0.76 0.35 2.02 -1.04 -1.91 112.91 113.06 1pg5 h THR 87 Ca 0.00 -1.68 0.09 0.00 0.77 0.00 0.00 66.41 65.59 1pg5 h THR 87 Cb 0.92 2.26 -0.07 0.00 -1.74 0.00 0.00 68.15 69.52 1pg5 h THR 87 CO 0.07 0.49 0.41 0.40 0.37 0.00 0.00 175.52 177.26 1pg5 h ILE 88 N -0.11 0.88 -0.35 3.11 1.08 -0.92 -0.90 117.51 120.30 1pg5 h ILE 88 Ca -0.02 -0.24 0.03 0.00 -0.39 0.00 0.00 64.86 64.25 1pg5 h ILE 88 Cb 0.95 0.12 -0.03 0.00 -3.07 0.00 0.00 36.82 34.79 1pg5 h ILE 88 CO 0.07 0.13 0.15 0.03 -0.69 0.00 0.00 178.15 177.83 1pg5 h ARG 89 N 0.70 0.31 -0.20 2.37 3.08 -1.03 -1.48 114.38 118.12 1pg5 h ARG 89 Ca 0.37 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.40 1pg5 h ARG 89 Cb 0.36 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 1pg5 h ARG 89 CO -0.25 0.20 0.12 1.98 -1.07 0.00 0.00 179.97 180.95 1pg5 h MET 90 N 0.32 0.27 -0.36 0.04 4.05 -0.74 -2.36 114.93 116.16 1pg5 h MET 90 Ca 0.15 -0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.55 1pg5 h MET 90 Cb 0.10 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 30.82 1pg5 h MET 90 CO -0.13 0.22 0.21 -0.07 0.23 0.00 0.00 176.91 177.37 1pg5 h LEU 91 N 0.25 0.42 -1.23 3.39 3.38 -0.81 0.18 115.31 120.89 1pg5 h LEU 91 Ca 0.07 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.05 1pg5 h LEU 91 Cb 0.02 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 1pg5 h LEU 91 CO -0.01 0.33 0.53 0.78 0.09 0.00 0.00 178.44 180.16 1pg5 h ASN 92 N 0.49 0.88 -0.72 -0.43 4.21 -0.77 0.84 115.58 120.08 1pg5 h ASN 92 Ca 0.13 -0.01 -0.03 0.00 1.21 0.00 0.00 56.30 57.59 1pg5 h ASN 92 Cb -0.01 -0.21 -0.03 0.00 -1.12 0.00 0.00 38.32 36.94 1pg5 h ASN 92 CO -0.02 0.62 0.33 0.78 -1.29 0.00 0.00 177.43 177.85 1pg5 h ASN 93 N 1.03 0.97 0.48 5.81 2.35 -0.29 -3.33 115.58 122.59 1pg5 h ASN 93 Ca 0.31 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 1pg5 h ASN 93 Cb -0.02 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.11 1pg5 h ASN 93 CO -0.08 0.83 -0.77 -1.22 -1.65 0.00 0.00 177.43 174.54 1pg5 n TYR 94 N -4.31 0.19 -3.97 1.19 0.53 -0.71 -5.00 117.16 105.07 1pg5 n TYR 94 Ca 0.07 0.06 -0.09 0.00 -1.02 0.00 0.00 57.90 56.91 1pg5 n TYR 94 Cb 0.15 -0.36 -0.04 0.00 -1.03 0.00 0.00 39.34 38.06 1pg5 n TYR 94 CO 0.00 0.00 0.00 -1.54 -1.02 0.00 0.00 176.86 174.30 1pg5 s SER 95 N -3.55 -0.02 0.00 7.72 1.04 0.21 -4.91 113.70 114.19 1pg5 s SER 95 Ca 0.07 -0.95 0.16 0.00 0.48 0.00 0.00 55.95 55.71 1pg5 s SER 95 Cb 0.15 0.63 -0.03 0.00 0.10 0.00 0.00 66.02 66.88 1pg5 s SER 95 CO 0.76 -1.22 0.82 0.47 0.98 0.00 0.00 173.24 175.05 1pg5 n ASP 96 N -0.56 1.49 -3.60 7.02 8.00 0.58 -4.63 116.55 124.84 1pg5 n ASP 96 Ca -0.02 -1.24 -0.04 0.00 0.71 0.00 0.00 54.79 54.20 1pg5 n ASP 96 Cb 0.61 0.55 -0.02 0.00 -0.02 0.00 0.00 41.12 42.24 1pg5 n ASP 96 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1pg5 s GLY 97 N -1.97 -0.35 -0.04 0.44 0.00 -1.23 -4.29 107.32 99.88 1pg5 s GLY 97 Ca 0.12 1.07 0.03 0.00 0.00 0.00 0.00 44.72 45.94 1pg5 s GLY 97 CO 0.43 0.33 -0.12 -0.42 0.00 0.00 0.00 173.10 173.32 1pg5 s ILE 98 N -2.68 1.06 -0.21 0.90 1.01 0.71 -0.87 121.20 121.11 1pg5 s ILE 98 Ca 0.10 -0.49 -0.04 0.00 0.00 0.00 0.00 60.65 60.22 1pg5 s ILE 98 Cb 0.00 -0.94 -0.01 0.00 0.01 0.00 0.00 42.46 41.52 1pg5 s ILE 98 CO -0.05 0.32 -0.03 -0.69 0.00 0.00 0.00 174.94 174.50 1pg5 s VAL 99 N 0.30 3.55 0.11 2.92 1.01 -0.17 -1.15 120.40 126.97 1pg5 s VAL 99 Ca -0.07 -0.44 0.05 0.00 0.00 0.00 0.00 61.98 61.53 1pg5 s VAL 99 Cb -0.12 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 1pg5 s VAL 99 CO 0.02 0.42 -0.14 0.00 0.00 0.00 0.00 175.10 175.41 1pg5 s MET 100 N 1.31 0.95 -0.06 2.72 0.00 -0.14 -0.89 119.30 123.19 1pg5 s MET 100 Ca 0.04 -1.16 0.01 0.00 0.00 0.00 0.00 55.69 54.57 1pg5 s MET 100 Cb -0.14 -0.83 0.02 0.00 0.00 0.00 0.00 34.83 33.87 1pg5 s MET 100 CO -0.01 0.16 -0.06 0.50 0.00 0.00 0.00 175.02 175.61 1pg5 s ARG 101 N -2.48 1.13 0.03 3.16 3.52 -1.01 0.11 118.95 123.41 1pg5 s ARG 101 Ca 0.06 -0.18 -0.02 0.00 -0.13 0.00 0.00 55.73 55.46 1pg5 s ARG 101 Cb -0.06 -1.12 -0.02 0.00 -1.56 0.00 0.00 34.95 32.19 1pg5 s ARG 101 CO 0.02 -0.11 0.00 -1.58 -0.81 0.00 0.00 175.30 172.83 1pg5 s HIS 102 N 1.12 0.28 -0.50 5.12 2.46 -0.03 -1.46 115.29 122.27 1pg5 s HIS 102 Ca -0.07 -0.58 0.26 0.00 0.47 0.00 0.00 55.06 55.13 1pg5 s HIS 102 Cb -0.14 -0.20 0.87 0.00 -0.13 0.00 0.00 32.58 32.97 1pg5 s HIS 102 CO -0.01 -0.26 1.76 1.57 -2.47 0.00 0.00 174.74 175.33 1pg5 h LYS 103 N 4.22 0.00 -5.41 2.88 2.10 -1.90 0.25 116.57 118.70 1pg5 h LYS 103 Ca -0.32 0.00 -0.59 0.00 -2.00 0.00 0.00 60.65 57.73 1pg5 h LYS 103 Cb 1.19 0.00 -0.11 0.00 -0.90 0.00 0.00 32.23 32.42 1pg5 h LYS 103 CO 0.47 0.00 -0.38 0.71 -2.00 0.00 0.00 179.45 178.24 1pg5 s TYR 104 N -3.26 3.44 0.22 0.07 2.02 -1.26 -3.59 117.35 114.99 1pg5 s TYR 104 Ca 0.07 0.50 -0.32 0.00 -0.37 0.00 0.00 57.07 56.95 1pg5 s TYR 104 Cb 0.10 -2.28 -0.13 0.00 -0.40 0.00 0.00 41.96 39.25 1pg5 s TYR 104 CO 0.54 0.25 1.60 -0.25 -1.57 0.00 0.00 175.55 176.12 1pg5 n ASP 105 N 3.57 3.50 0.00 2.29 8.00 -1.26 -2.39 116.55 130.26 1pg5 n ASP 105 Ca -0.13 1.10 0.00 0.00 0.71 0.00 0.00 54.79 56.47 1pg5 n ASP 105 Cb 0.52 -1.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.11 1pg5 n ASP 105 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pg5 n GLY 106 N 3.07 0.70 0.35 0.44 0.00 -1.26 -4.92 105.19 103.56 1pg5 n GLY 106 Ca 0.14 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.11 1pg5 n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pg5 h ALA 107 N 0.00 1.12 -0.20 4.61 0.00 -1.83 -1.04 119.26 121.92 1pg5 h ALA 107 Ca 0.00 -0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.58 1pg5 h ALA 107 Cb 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.45 1pg5 h ALA 107 CO 0.00 0.65 -0.59 0.77 0.00 0.00 0.00 179.25 180.08 1pg5 h SER 108 N 1.23 0.86 -0.38 0.00 0.02 -1.91 -0.71 113.55 112.66 1pg5 h SER 108 Ca 0.31 -0.58 0.08 0.00 -0.84 0.00 0.00 61.79 60.75 1pg5 h SER 108 Cb 0.06 -0.25 -0.08 0.00 0.14 0.00 0.00 62.40 62.27 1pg5 h SER 108 CO -0.05 1.30 -0.17 -0.09 -1.14 0.00 0.00 176.83 176.69 1pg5 h ARG 109 N 0.48 -0.09 -0.57 3.45 2.43 -1.82 -0.42 114.38 117.84 1pg5 h ARG 109 Ca -0.02 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 1pg5 h ARG 109 Cb 1.21 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.76 1pg5 h ARG 109 CO 0.13 -0.06 0.18 0.35 -1.51 0.00 0.00 179.97 179.05 1pg5 h PHE 110 N -0.10 0.92 -0.95 2.20 3.04 -1.02 -2.63 116.94 118.40 1pg5 h PHE 110 Ca 0.19 -0.09 0.01 0.00 3.98 0.00 0.00 57.97 62.05 1pg5 h PHE 110 Cb 0.38 -0.27 -0.05 0.00 2.56 0.00 0.00 35.95 38.58 1pg5 h PHE 110 CO -0.40 0.77 0.63 0.00 -2.02 0.00 0.00 178.31 177.29 1pg5 h ALA 111 N 1.05 1.32 0.00 2.41 0.00 -0.80 -1.52 119.26 121.71 1pg5 h ALA 111 Ca 0.18 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1pg5 h ALA 111 Cb 0.28 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1pg5 h ALA 111 CO -0.01 0.63 -0.15 0.66 0.00 0.00 0.00 179.25 180.39 1pg5 h SER 112 N 1.29 0.00 1.19 0.00 4.64 -0.73 -0.47 113.55 119.47 1pg5 h SER 112 Ca 0.35 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.56 1pg5 h SER 112 Cb -0.15 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 61.93 1pg5 h SER 112 CO -0.07 0.15 -0.85 -0.33 -0.87 0.00 0.00 176.83 174.86 1pg5 h GLU 113 N 0.00 0.00 0.03 4.77 5.08 -0.95 -3.29 114.58 120.21 1pg5 h GLU 113 Ca -0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.14 1pg5 h GLU 113 Cb 0.33 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1pg5 h GLU 113 CO 0.02 0.31 -1.02 0.82 -1.00 0.00 0.00 179.01 178.14 1pg5 h ILE 114 N 0.00 1.62 -3.00 3.13 1.08 -1.00 -3.48 117.51 115.86 1pg5 h ILE 114 Ca -0.06 -3.14 -0.61 0.00 -0.39 0.00 0.00 64.86 60.66 1pg5 h ILE 114 Cb 1.37 2.77 -0.06 0.00 -3.07 0.00 0.00 36.82 37.83 1pg5 h ILE 114 CO 0.04 0.90 -0.23 -0.55 -0.69 0.00 0.00 178.15 177.63 1pg5 s SER 115 N -6.86 6.75 0.02 1.72 0.15 -0.26 -4.96 113.70 110.27 1pg5 s SER 115 Ca -0.01 0.89 -0.11 0.00 0.70 0.00 0.00 55.95 57.42 1pg5 s SER 115 Cb 0.09 -2.23 -0.32 0.00 -1.71 0.00 0.00 66.02 61.85 1pg5 s SER 115 CO 0.83 0.31 0.94 0.44 1.20 0.00 0.00 173.24 176.97 1pg5 h ASP 116 N 4.89 0.67 -4.22 5.45 3.45 -1.90 -3.47 116.42 121.30 1pg5 h ASP 116 Ca -0.51 -0.79 -0.49 0.00 0.43 0.00 0.00 57.03 55.67 1pg5 h ASP 116 Cb 1.22 -0.22 0.05 0.00 -0.56 0.00 0.00 39.33 39.82 1pg5 h ASP 116 CO 0.62 1.63 0.38 0.27 -1.57 0.00 0.00 179.24 180.57 1pg5 s ILE 117 N -2.61 4.07 0.65 0.35 -4.36 -1.26 -5.00 121.20 113.05 1pg5 s ILE 117 Ca -0.09 0.93 -0.17 0.00 -0.26 0.00 0.00 60.65 61.05 1pg5 s ILE 117 Cb 0.05 -3.50 -0.02 0.00 1.25 0.00 0.00 42.46 40.24 1pg5 s ILE 117 CO 0.91 -0.63 1.03 -2.65 0.24 0.00 0.00 174.94 173.83 1pg5 n PRO 118 N -2.08 0.81 -4.22 0.37 -0.02 -1.26 -4.80 135.00 123.79 1pg5 n PRO 118 Ca 0.08 0.33 -0.22 0.00 -2.02 0.00 0.00 63.50 61.66 1pg5 n PRO 118 Cb 0.53 -2.26 -0.17 0.00 -0.02 0.00 0.00 33.50 31.59 1pg5 n PRO 118 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1pg5 s VAL 119 N -1.58 0.74 -0.20 -1.45 1.01 -1.26 -0.21 120.40 117.45 1pg5 s VAL 119 Ca 0.77 -0.22 -0.01 0.00 0.00 0.00 0.00 61.98 62.52 1pg5 s VAL 119 Cb -0.39 -0.74 0.01 0.00 0.00 0.00 0.00 36.38 35.26 1pg5 s VAL 119 CO 0.46 0.28 -0.12 -0.63 0.00 0.00 0.00 175.10 175.09 1pg5 s ILE 120 N 1.01 2.72 -0.40 2.22 1.01 -0.30 -0.83 121.20 126.63 1pg5 s ILE 120 Ca -0.09 -0.72 -0.29 0.00 0.00 0.00 0.00 60.65 59.55 1pg5 s ILE 120 Cb -0.14 -2.19 0.02 0.00 0.01 0.00 0.00 42.46 40.15 1pg5 s ILE 120 CO -0.00 0.48 1.20 0.21 0.00 0.00 0.00 174.94 176.83 1pg5 s ASN 121 N 1.35 6.67 -0.24 3.58 2.47 0.05 -0.96 114.94 127.86 1pg5 s ASN 121 Ca 0.05 0.80 0.14 0.00 0.42 0.00 0.00 52.86 54.27 1pg5 s ASN 121 Cb -0.14 -2.54 0.73 0.00 -1.45 0.00 0.00 41.25 37.85 1pg5 s ASN 121 CO -0.08 -1.16 1.68 0.00 -3.72 0.00 0.00 177.10 173.82 1pg5 n ALA 122 N 7.72 3.82 0.00 1.71 0.00 0.12 -4.21 120.51 129.66 1pg5 n ALA 122 Ca 0.13 -2.14 0.00 0.00 0.00 0.00 0.00 53.44 51.43 1pg5 n ALA 122 Cb 0.48 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.89 1pg5 n ALA 122 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pg5 n GLY 123 N 0.15 3.49 2.96 0.00 0.00 -1.25 -4.78 105.19 105.76 1pg5 n GLY 123 Ca 0.29 -0.43 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 1pg5 n GLY 123 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1pg5 s ASP 124 N 0.00 3.98 1.29 1.61 -4.77 -1.00 -0.85 116.67 116.94 1pg5 s ASP 124 Ca 0.00 -1.23 0.00 0.00 -3.30 0.00 0.00 52.55 48.02 1pg5 s ASP 124 Cb 0.00 -1.25 0.00 0.00 -1.09 0.00 0.00 42.92 40.58 1pg5 s ASP 124 CO 0.00 -0.23 0.00 0.61 0.70 0.00 0.00 175.17 176.25 1pg5 n GLY 125 N 4.62 3.14 1.75 2.12 0.00 0.88 -0.93 105.19 116.77 1pg5 n GLY 125 Ca -0.12 -0.24 0.07 0.00 0.00 0.00 0.00 46.02 45.73 1pg5 n GLY 125 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pg5 n LYS 126 N 14.00 4.62 -0.00 1.61 4.76 -1.26 -4.78 118.16 137.11 1pg5 n LYS 126 Ca 0.00 -3.12 -0.00 0.00 -2.87 0.00 0.00 58.31 52.31 1pg5 n LYS 126 Cb 0.00 -2.21 -0.00 0.00 -1.84 0.00 0.00 35.03 30.98 1pg5 n LYS 126 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1pg5 h HIS 127 N 3.70 0.00 -4.23 2.13 2.76 -1.39 -3.37 115.15 114.75 1pg5 h HIS 127 Ca 0.00 0.00 -0.14 0.00 -2.20 0.00 0.00 60.37 58.03 1pg5 h HIS 127 Cb 1.91 0.00 -0.15 0.00 1.55 0.00 0.00 27.41 30.72 1pg5 h HIS 127 CO 1.01 0.00 -0.61 -1.21 -1.30 0.00 0.00 177.93 175.82 1pg5 s GLU 128 N -1.05 0.78 -0.44 5.26 2.02 -1.25 -4.62 118.70 119.41 1pg5 s GLU 128 Ca -0.00 -1.27 0.05 0.00 0.02 0.00 0.00 54.97 53.77 1pg5 s GLU 128 Cb 0.00 0.25 0.18 0.00 0.10 0.00 0.00 34.13 34.65 1pg5 s GLU 128 CO 0.01 -0.20 0.45 1.58 0.02 0.00 0.00 175.26 177.11 1pg5 n HIS 129 N -0.00 -1.72 -0.14 1.61 -0.00 -1.21 -2.38 115.22 111.37 1pg5 n HIS 129 Ca -0.11 -2.78 -0.06 0.00 -0.00 0.00 0.00 57.72 54.78 1pg5 n HIS 129 Cb 0.62 0.59 0.12 0.00 -0.00 0.00 0.00 29.99 31.33 1pg5 n HIS 129 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1pg5 h PRO 130 N 5.45 0.88 -0.24 1.57 0.11 -1.83 -2.74 132.00 135.19 1pg5 h PRO 130 Ca 0.21 -0.25 -0.02 0.00 0.11 0.00 0.00 66.00 66.06 1pg5 h PRO 130 Cb 0.96 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 1pg5 h PRO 130 CO 0.27 0.87 0.07 1.79 -0.21 0.00 0.00 178.00 180.80 1pg5 h THR 131 N 0.82 1.11 -0.66 -1.15 1.35 -1.93 -1.52 112.91 110.93 1pg5 h THR 131 Ca 0.16 -0.38 -0.05 0.00 -0.55 0.00 0.00 66.41 65.58 1pg5 h THR 131 Cb 0.47 0.85 -0.03 0.00 -1.73 0.00 0.00 68.15 67.72 1pg5 h THR 131 CO 0.02 0.14 0.21 -0.61 -0.25 0.00 0.00 175.52 175.04 1pg5 h GLN 132 N 0.34 1.02 -0.71 4.72 5.75 -1.87 -1.78 115.11 122.58 1pg5 h GLN 132 Ca 0.09 -0.22 -0.07 0.00 -0.15 0.00 0.00 58.65 58.30 1pg5 h GLN 132 Cb 0.12 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.49 1pg5 h GLN 132 CO -0.01 0.89 0.17 0.00 -2.65 0.00 0.00 178.83 177.23 1pg5 h ALA 133 N 1.09 0.97 -0.37 3.38 0.00 -1.16 -1.51 119.26 121.67 1pg5 h ALA 133 Ca 0.21 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1pg5 h ALA 133 Cb 0.28 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1pg5 h ALA 133 CO -0.01 0.67 0.24 0.28 0.00 0.00 0.00 179.25 180.43 1pg5 h VAL 134 N 1.07 1.10 -0.25 0.00 2.07 -1.06 -1.85 116.25 117.33 1pg5 h VAL 134 Ca 0.22 -0.19 -0.19 0.00 0.82 0.00 0.00 66.70 67.36 1pg5 h VAL 134 Cb 0.37 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1pg5 h VAL 134 CO 0.00 0.10 -0.60 0.40 0.02 0.00 0.00 177.57 177.49 1pg5 h ILE 135 N 0.50 1.28 -0.02 4.57 2.04 -0.42 -1.68 117.51 123.78 1pg5 h ILE 135 Ca 0.14 -1.79 -0.00 0.00 1.00 0.00 0.00 64.86 64.21 1pg5 h ILE 135 Cb -0.05 1.71 -0.00 0.00 -0.74 0.00 0.00 36.82 37.74 1pg5 h ILE 135 CO -0.03 0.58 0.01 0.44 0.00 0.00 0.00 178.15 179.15 1pg5 h ASP 136 N 0.63 0.03 0.34 1.72 3.45 -1.10 -2.13 116.42 119.37 1pg5 h ASP 136 Ca 0.00 -0.15 -0.11 0.00 0.43 0.00 0.00 57.03 57.21 1pg5 h ASP 136 Cb 1.21 -0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 39.95 1pg5 h ASP 136 CO 0.13 0.17 -0.45 0.16 -1.57 0.00 0.00 179.24 177.68 1pg5 h ILE 137 N -0.11 1.33 -0.76 0.35 3.07 -1.36 -1.49 117.51 118.54 1pg5 h ILE 137 Ca 0.01 -1.59 0.03 0.00 1.55 0.00 0.00 64.86 64.86 1pg5 h ILE 137 Cb 0.15 1.79 -0.05 0.00 -0.27 0.00 0.00 36.82 38.44 1pg5 h ILE 137 CO -0.00 0.47 0.48 0.22 -1.05 0.00 0.00 178.15 178.27 1pg5 h TYR 138 N 0.11 0.91 -0.23 0.16 3.20 -1.12 0.04 116.97 120.04 1pg5 h TYR 138 Ca 0.01 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.85 1pg5 h TYR 138 Cb 0.84 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 1pg5 h TYR 138 CO 0.01 0.52 -0.07 1.15 -1.64 0.00 0.00 178.16 178.13 1pg5 h THR 139 N 0.94 1.29 -0.20 1.81 2.02 -0.72 -0.05 112.91 117.99 1pg5 h THR 139 Ca 0.31 -1.08 0.00 0.00 0.77 0.00 0.00 66.41 66.41 1pg5 h THR 139 Cb 0.02 1.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 1pg5 h THR 139 CO -0.11 0.33 0.13 0.40 0.37 0.00 0.00 175.52 176.64 1pg5 h ILE 140 N 0.18 1.06 -0.19 3.11 2.04 -1.08 -2.13 117.51 120.50 1pg5 h ILE 140 Ca 0.06 -0.12 -0.10 0.00 1.00 0.00 0.00 64.86 65.69 1pg5 h ILE 140 Cb 0.53 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 1pg5 h ILE 140 CO 0.02 0.06 -0.33 -1.13 0.00 0.00 0.00 178.15 176.78 1pg5 h ASN 141 N 0.27 0.39 -0.72 1.72 -1.24 -0.94 -1.86 115.58 113.19 1pg5 h ASN 141 Ca 0.07 -0.14 -0.02 0.00 0.71 0.00 0.00 56.30 56.92 1pg5 h ASN 141 Cb -0.02 -0.11 -0.03 0.00 0.73 0.00 0.00 38.32 38.89 1pg5 h ASN 141 CO -0.02 0.70 0.38 0.50 -1.29 0.00 0.00 177.43 177.70 1pg5 h LYS 142 N 0.33 1.01 -0.02 6.67 3.64 -0.77 -1.19 116.57 126.23 1pg5 h LYS 142 Ca 0.04 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.27 1pg5 h LYS 142 Cb 0.74 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1pg5 h LYS 142 CO 0.06 0.77 -0.06 1.25 -2.27 0.00 0.00 179.45 179.20 1pg5 h HIS 143 N 0.99 0.09 -0.42 1.91 2.76 -0.86 -3.35 115.15 116.27 1pg5 h HIS 143 Ca 0.25 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.38 1pg5 h HIS 143 Cb 0.06 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.01 1pg5 h HIS 143 CO 0.00 0.68 0.00 1.19 -1.30 0.00 0.00 177.93 178.50 1pg5 n PHE 144 N -4.72 0.54 -2.36 5.26 3.72 -0.75 -4.96 117.46 114.19 1pg5 n PHE 144 Ca -0.09 -0.27 -0.07 0.00 -0.05 0.00 0.00 57.45 56.97 1pg5 n PHE 144 Cb 0.34 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.88 1pg5 n PHE 144 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1pg5 n ASN 145 N 1.35 -2.61 -3.61 4.37 3.02 -0.45 -4.88 115.26 112.44 1pg5 n ASN 145 Ca 0.20 0.31 -0.04 0.00 -0.03 0.00 0.00 54.58 55.02 1pg5 n ASN 145 Cb 0.56 -2.31 -0.02 0.00 -0.61 0.00 0.00 39.78 37.40 1pg5 n ASN 145 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1pg5 s THR 146 N -2.29 0.00 0.00 3.41 -1.32 -1.24 -5.04 115.64 109.16 1pg5 s THR 146 Ca 0.00 -0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.47 1pg5 s THR 146 Cb 0.00 -1.05 0.00 0.00 -1.51 0.00 0.00 72.50 69.94 1pg5 s THR 146 CO 0.00 0.00 0.00 -0.38 -2.21 0.00 0.00 174.62 172.03 1pg5 n ILE 147 N -0.09 0.00 -1.80 5.08 5.41 -1.26 -4.00 119.36 122.70 1pg5 n ILE 147 Ca 0.01 0.00 -0.40 0.00 1.00 0.00 0.00 62.75 63.36 1pg5 n ILE 147 Cb 0.58 -0.68 0.01 0.00 -0.71 0.00 0.00 39.64 38.83 1pg5 n ILE 147 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 1pg5 s ASP 148 N -3.21 6.07 0.00 4.38 -0.00 -1.26 -3.08 116.67 119.57 1pg5 s ASP 148 Ca 0.00 2.97 0.00 0.00 -0.00 0.00 0.00 52.55 55.52 1pg5 s ASP 148 Cb 0.00 -2.66 0.00 0.00 -0.00 0.00 0.00 42.92 40.26 1pg5 s ASP 148 CO 0.00 -1.05 0.00 0.61 -0.00 0.00 0.00 175.17 174.73 1pg5 n GLY 149 N 0.53 1.48 3.90 0.21 0.00 -0.22 -4.90 105.19 106.19 1pg5 n GLY 149 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 1pg5 n GLY 149 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pg5 s LEU 150 N 0.00 3.14 -0.14 0.99 1.43 -1.18 -4.17 118.68 118.76 1pg5 s LEU 150 Ca 0.00 0.95 0.02 0.00 -1.03 0.00 0.00 54.13 54.07 1pg5 s LEU 150 Cb 0.00 -3.80 0.01 0.00 0.03 0.00 0.00 46.19 42.44 1pg5 s LEU 150 CO 0.00 -1.11 -0.19 -0.69 0.23 0.00 0.00 176.35 174.59 1pg5 s VAL 151 N -3.12 1.85 0.19 -1.59 1.01 -1.26 -0.76 120.40 116.72 1pg5 s VAL 151 Ca 0.55 -0.84 0.08 0.00 0.00 0.00 0.00 61.98 61.77 1pg5 s VAL 151 Cb -0.11 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 1pg5 s VAL 151 CO 0.48 0.51 0.00 -0.36 0.00 0.00 0.00 175.10 175.73 1pg5 s PHE 152 N 1.03 2.83 -0.07 5.22 0.40 -0.06 0.14 117.98 127.47 1pg5 s PHE 152 Ca -0.03 -0.15 -0.03 0.00 -0.60 0.00 0.00 56.93 56.11 1pg5 s PHE 152 Cb -0.15 -1.35 0.04 0.00 0.51 0.00 0.00 43.02 42.07 1pg5 s PHE 152 CO -0.05 0.53 0.16 0.00 0.70 0.00 0.00 175.22 176.56 1pg5 s ALA 153 N -1.82 -0.30 -0.17 5.36 0.00 0.39 -0.94 121.76 124.28 1pg5 s ALA 153 Ca 0.28 0.72 -0.07 0.00 0.00 0.00 0.00 51.96 52.89 1pg5 s ALA 153 Cb -0.09 -0.47 -0.04 0.00 0.00 0.00 0.00 23.12 22.52 1pg5 s ALA 153 CO 0.19 -0.16 0.06 -0.51 0.00 0.00 0.00 175.76 175.34 1pg5 s LEU 154 N 1.17 3.84 -0.08 0.00 2.01 -0.06 -0.46 118.68 125.10 1pg5 s LEU 154 Ca -0.09 0.12 -0.01 0.00 0.01 0.00 0.00 54.13 54.17 1pg5 s LEU 154 Cb -0.11 -1.96 0.03 0.00 0.01 0.00 0.00 46.19 44.15 1pg5 s LEU 154 CO -0.06 0.22 -0.03 -0.22 1.01 0.00 0.00 176.35 177.27 1pg5 s LEU 155 N 0.11 0.86 0.00 1.79 2.96 -0.21 -0.65 118.68 123.54 1pg5 s LEU 155 Ca 0.05 -0.15 0.00 0.00 -0.22 0.00 0.00 54.13 53.81 1pg5 s LEU 155 Cb -0.12 -0.56 0.00 0.00 0.50 0.00 0.00 46.19 46.01 1pg5 s LEU 155 CO 0.01 -0.15 0.00 0.61 -1.32 0.00 0.00 176.35 175.49 1pg5 n GLY 156 N 4.93 0.31 3.60 7.98 0.00 -0.26 -1.06 105.19 120.69 1pg5 n GLY 156 Ca -0.11 -1.21 -0.41 0.00 0.00 0.00 0.00 46.02 44.29 1pg5 n GLY 156 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pg5 s ASP 157 N -4.00 6.45 0.00 1.61 2.15 -1.22 -4.36 116.67 117.31 1pg5 s ASP 157 Ca 0.00 0.40 0.06 0.00 0.43 0.00 0.00 52.55 53.43 1pg5 s ASP 157 Cb 0.00 -2.31 0.14 0.00 -0.30 0.00 0.00 42.92 40.45 1pg5 s ASP 157 CO 0.00 -0.42 1.06 0.18 -0.17 0.00 0.00 175.17 175.82 1pg5 n LEU 158 N 5.76 2.31 -0.12 -1.34 4.77 -0.54 -4.42 117.00 123.42 1pg5 n LEU 158 Ca -0.02 -1.84 -0.23 0.00 -0.03 0.00 0.00 56.01 53.89 1pg5 n LEU 158 Cb 0.49 -0.10 -0.09 0.00 -2.33 0.00 0.00 43.42 41.39 1pg5 n LEU 158 CO 0.44 0.57 -1.30 1.17 -1.33 0.00 0.00 177.39 176.94 1pg5 n LYS 159 N 0.07 0.53 -0.65 3.23 4.81 -1.17 -3.59 118.16 121.38 1pg5 n LYS 159 Ca 0.06 0.20 0.01 0.00 -0.87 0.00 0.00 58.31 57.70 1pg5 n LYS 159 Cb 0.31 -1.38 0.22 0.00 0.02 0.00 0.00 35.03 34.20 1pg5 n LYS 159 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1pg5 n TYR 160 N -3.80 1.07 -3.83 5.64 4.02 -1.26 -4.81 117.16 114.19 1pg5 n TYR 160 Ca -0.45 -1.29 -0.36 0.00 -0.01 0.00 0.00 57.90 55.78 1pg5 n TYR 160 Cb 0.86 -0.43 -0.13 0.00 -0.02 0.00 0.00 39.34 39.63 1pg5 n TYR 160 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1pg5 s ALA 161 N -3.07 2.93 0.47 -0.72 0.00 -1.26 -4.88 121.76 115.23 1pg5 s ALA 161 Ca 0.44 -1.71 0.37 0.00 0.00 0.00 0.00 51.96 51.06 1pg5 s ALA 161 Cb 0.38 -2.09 1.93 0.00 0.00 0.00 0.00 23.12 23.34 1pg5 s ALA 161 CO 0.04 -1.24 2.21 0.07 0.00 0.00 0.00 175.76 176.84 1pg5 h ARG 162 N 8.12 0.00 -0.20 0.00 0.11 -1.82 -2.12 114.38 118.47 1pg5 h ARG 162 Ca -0.24 0.00 -0.21 0.00 0.10 0.00 0.00 59.98 59.63 1pg5 h ARG 162 Cb 1.08 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.17 1pg5 h ARG 162 CO 0.57 0.03 -0.70 1.79 0.10 0.00 0.00 179.97 181.75 1pg5 h THR 163 N 0.00 1.28 -0.61 0.08 1.35 -1.89 -1.42 112.91 111.70 1pg5 h THR 163 Ca -0.00 -1.89 -0.03 0.00 -0.55 0.00 0.00 66.41 63.93 1pg5 h THR 163 Cb 0.19 1.86 -0.03 0.00 -1.73 0.00 0.00 68.15 68.45 1pg5 h THR 163 CO 0.00 0.61 0.25 0.58 -0.25 0.00 0.00 175.52 176.71 1pg5 h VAL 164 N 0.58 1.23 -0.74 6.82 2.07 -1.77 -0.75 116.25 123.69 1pg5 h VAL 164 Ca -0.03 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 66.75 1pg5 h VAL 164 Cb 1.33 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.62 1pg5 h VAL 164 CO 0.15 0.28 0.35 0.78 0.02 0.00 0.00 177.57 179.15 1pg5 h ASN 165 N 0.85 0.96 0.24 0.57 -0.26 -1.24 0.41 115.58 117.10 1pg5 h ASN 165 Ca 0.20 -0.11 -0.24 0.00 -0.56 0.00 0.00 56.30 55.60 1pg5 h ASN 165 Cb 0.20 -0.25 0.01 0.00 -1.06 0.00 0.00 38.32 37.22 1pg5 h ASN 165 CO -0.02 0.81 -0.96 0.28 -1.06 0.00 0.00 177.43 176.48 1pg5 h SER 166 N 1.05 0.64 -0.29 5.81 0.02 -0.93 -2.57 113.55 117.29 1pg5 h SER 166 Ca 0.26 -0.51 -0.04 0.00 -0.84 0.00 0.00 61.79 60.66 1pg5 h SER 166 Cb 0.11 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 1pg5 h SER 166 CO -0.03 1.31 0.04 0.25 -1.14 0.00 0.00 176.83 177.25 1pg5 h LEU 167 N 0.28 0.47 -0.83 5.07 6.46 -0.89 -1.38 115.31 124.49 1pg5 h LEU 167 Ca -0.09 -0.27 -0.02 0.00 -0.12 0.00 0.00 57.88 57.38 1pg5 h LEU 167 Cb 1.60 -0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 41.37 1pg5 h LEU 167 CO 0.17 0.62 0.46 -0.07 -0.62 0.00 0.00 178.44 179.00 1pg5 h LEU 168 N 0.30 1.04 -0.65 2.25 3.38 -0.90 -1.96 115.31 118.77 1pg5 h LEU 168 Ca 0.09 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 1pg5 h LEU 168 Cb 0.36 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1pg5 h LEU 168 CO 0.01 0.84 -0.05 0.03 0.09 0.00 0.00 178.44 179.36 1pg5 h ARG 169 N 1.16 1.01 0.00 1.13 3.08 -1.42 -3.09 114.38 116.24 1pg5 h ARG 169 Ca 0.29 -0.34 -0.07 0.00 0.07 0.00 0.00 59.98 59.93 1pg5 h ARG 169 Cb 0.03 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1pg5 h ARG 169 CO -0.05 1.02 -0.35 0.97 -1.07 0.00 0.00 179.97 180.49 1pg5 h ILE 170 N 0.91 0.79 0.00 2.04 2.10 -1.00 -2.59 117.51 119.76 1pg5 h ILE 170 Ca 0.16 -1.50 0.00 0.00 1.08 0.00 0.00 64.86 64.60 1pg5 h ILE 170 Cb 0.60 1.95 0.00 0.00 -1.09 0.00 0.00 36.82 38.27 1pg5 h ILE 170 CO 0.04 0.34 0.00 -0.07 -1.08 0.00 0.00 178.15 177.38 1pg5 h LEU 171 N 0.00 0.00 0.00 2.19 4.07 -1.27 -2.26 115.31 118.03 1pg5 h LEU 171 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1pg5 h LEU 171 Cb 0.92 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.66 1pg5 h LEU 171 CO 0.05 0.00 0.00 0.35 -1.08 0.00 0.00 178.44 177.76 1pg5 n THR 172 N -2.52 0.71 1.34 0.22 -2.24 -0.98 -1.83 114.28 108.98 1pg5 n THR 172 Ca 0.02 0.18 0.13 0.00 -2.27 0.00 0.00 64.05 62.11 1pg5 n THR 172 Cb 0.29 -0.97 0.40 0.00 -2.10 0.00 0.00 70.33 67.95 1pg5 n THR 172 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1pg5 n ARG 173 N -1.30 1.45 -3.96 -0.78 5.12 -0.85 -4.91 116.66 111.42 1pg5 n ARG 173 Ca 0.06 -0.92 -0.23 0.00 -1.93 0.00 0.00 57.85 54.83 1pg5 n ARG 173 Cb 0.10 -1.48 -0.05 0.00 -1.16 0.00 0.00 32.46 29.87 1pg5 n ARG 173 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1pg5 n PHE 174 N 0.03 0.61 -3.44 -1.55 3.72 -0.76 -4.60 117.46 111.46 1pg5 n PHE 174 Ca 0.16 -1.94 -0.27 0.00 -0.05 0.00 0.00 57.45 55.35 1pg5 n PHE 174 Cb 0.39 -0.16 -0.08 0.00 -0.94 0.00 0.00 39.48 38.68 1pg5 n PHE 174 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1pg5 n ARG 175 N -0.87 2.21 -1.73 -1.08 3.00 -1.26 -5.01 116.66 111.93 1pg5 n ARG 175 Ca -0.12 -4.46 -0.42 0.00 -0.01 0.00 0.00 57.85 52.84 1pg5 n ARG 175 Cb 0.48 -2.13 -0.01 0.00 0.00 0.00 0.00 32.46 30.81 1pg5 n ARG 175 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 1pg5 n PRO 176 N 1.05 2.35 -0.12 5.56 -0.01 -1.26 -1.06 135.00 141.51 1pg5 n PRO 176 Ca 0.28 0.82 -0.07 0.00 -0.01 0.00 0.00 63.50 64.52 1pg5 n PRO 176 Cb 0.42 -2.48 0.01 0.00 -0.01 0.00 0.00 33.50 31.44 1pg5 n PRO 176 CO 0.00 0.00 0.00 -0.22 -0.01 0.00 0.00 175.50 175.27 1pg5 h LYS 177 N 2.93 0.46 -1.53 -0.52 3.64 -1.11 -3.43 116.57 117.02 1pg5 h LYS 177 Ca -0.48 -0.03 0.08 0.00 -1.27 0.00 0.00 60.65 58.95 1pg5 h LYS 177 Cb 1.26 -0.10 -0.27 0.00 -0.41 0.00 0.00 32.23 32.71 1pg5 h LYS 177 CO 0.65 0.30 0.51 -1.17 -2.27 0.00 0.00 179.45 177.48 1pg5 s LEU 178 N -10.20 -0.40 -0.29 5.20 2.96 -1.19 -4.52 118.68 110.24 1pg5 s LEU 178 Ca -0.13 0.76 0.02 0.00 -0.22 0.00 0.00 54.13 54.56 1pg5 s LEU 178 Cb 0.11 1.78 0.07 0.00 0.50 0.00 0.00 46.19 48.65 1pg5 s LEU 178 CO 0.72 -0.14 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.88 1pg5 s VAL 179 N 0.16 2.38 0.01 1.68 1.01 -0.04 -0.88 120.40 124.72 1pg5 s VAL 179 Ca 0.04 -1.77 -0.30 0.00 0.00 0.00 0.00 61.98 59.94 1pg5 s VAL 179 Cb -0.05 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 1pg5 s VAL 179 CO -0.07 -0.20 1.15 -0.31 0.00 0.00 0.00 175.10 175.67 1pg5 s TYR 180 N 1.08 3.40 -0.51 5.22 1.51 -0.12 -1.87 117.35 126.06 1pg5 s TYR 180 Ca -0.03 1.36 -0.14 0.00 -1.01 0.00 0.00 57.07 57.25 1pg5 s TYR 180 Cb -0.20 -3.36 0.12 0.00 -0.11 0.00 0.00 41.96 38.41 1pg5 s TYR 180 CO -0.05 -1.02 0.44 -0.51 -1.11 0.00 0.00 175.55 173.30 1pg5 s LEU 181 N 1.47 5.96 -0.39 -1.29 1.02 -0.64 -0.88 118.68 123.93 1pg5 s LEU 181 Ca 0.56 -1.77 -0.05 0.00 0.02 0.00 0.00 54.13 52.89 1pg5 s LEU 181 Cb -0.26 -2.15 0.08 0.00 0.02 0.00 0.00 46.19 43.89 1pg5 s LEU 181 CO 0.26 -0.78 0.18 -0.63 0.02 0.00 0.00 176.35 175.40 1pg5 s ILE 182 N 1.53 3.61 0.16 -0.59 1.01 0.17 -1.82 121.20 125.27 1pg5 s ILE 182 Ca 0.04 -1.61 -0.10 0.00 0.00 0.00 0.00 60.65 58.97 1pg5 s ILE 182 Cb -0.28 -3.26 -0.00 0.00 0.01 0.00 0.00 42.46 38.92 1pg5 s ILE 182 CO 0.02 -0.47 0.30 -0.94 0.00 0.00 0.00 174.94 173.86 1pg5 s SER 183 N 1.79 0.01 0.83 3.58 1.04 -1.18 -1.10 113.70 118.67 1pg5 s SER 183 Ca 0.03 -0.77 -0.11 0.00 0.48 0.00 0.00 55.95 55.58 1pg5 s SER 183 Cb -0.22 0.44 0.09 0.00 0.10 0.00 0.00 66.02 66.43 1pg5 s SER 183 CO -0.01 -0.89 1.09 -2.16 0.98 0.00 0.00 173.24 172.26 1pg5 s PRO 184 N -3.94 1.80 0.25 4.02 0.04 -1.26 -4.52 135.00 131.39 1pg5 s PRO 184 Ca 0.14 1.06 -0.05 0.00 0.04 0.00 0.00 61.00 62.19 1pg5 s PRO 184 Cb 0.03 -1.85 0.35 0.00 0.04 0.00 0.00 34.50 33.07 1pg5 s PRO 184 CO -0.02 -1.93 1.85 0.37 0.04 0.00 0.00 177.00 177.31 1pg5 h GLN 185 N -1.33 0.96 -0.90 4.56 -0.00 -1.97 -2.19 115.11 114.23 1pg5 h GLN 185 Ca -0.46 -0.06 -0.00 0.00 -0.00 0.00 0.00 58.65 58.13 1pg5 h GLN 185 Cb 1.25 -0.22 -0.04 0.00 0.00 0.00 0.00 27.48 28.47 1pg5 h GLN 185 CO 0.52 0.64 0.55 1.25 0.00 0.00 0.00 178.83 181.78 1pg5 h LEU 186 N 0.99 1.07 -3.99 -2.39 7.12 -2.00 -3.24 115.31 112.88 1pg5 h LEU 186 Ca 0.39 -0.06 -0.68 0.00 0.13 0.00 0.00 57.88 57.66 1pg5 h LEU 186 Cb 0.18 -0.27 -0.29 0.00 -0.53 0.00 0.00 40.66 39.75 1pg5 h LEU 186 CO -0.18 0.82 0.84 0.18 -0.13 0.00 0.00 178.44 179.97 1pg5 n LEU 187 N -4.36 7.66 -4.85 2.25 4.77 -0.82 -4.96 117.00 116.69 1pg5 n LEU 187 Ca 0.10 -4.30 -0.32 0.00 -0.03 0.00 0.00 56.01 51.46 1pg5 n LEU 187 Cb 0.06 -0.97 -0.06 0.00 -2.33 0.00 0.00 43.42 40.12 1pg5 n LEU 187 CO 0.38 1.48 0.51 -0.13 -1.33 0.00 0.00 177.39 178.30 1pg5 s ARG 188 N -3.82 4.01 0.42 3.23 0.52 -1.22 -1.47 118.95 120.61 1pg5 s ARG 188 Ca 0.65 0.78 -0.26 0.00 -0.52 0.00 0.00 55.73 56.37 1pg5 s ARG 188 Cb 0.51 -2.33 -0.09 0.00 0.52 0.00 0.00 34.95 33.56 1pg5 s ARG 188 CO -0.01 0.03 1.42 0.00 0.02 0.00 0.00 175.30 176.76 1pg5 s ALA 189 N -2.18 3.33 0.49 2.13 0.00 -1.24 -4.01 121.76 120.29 1pg5 s ALA 189 Ca 0.56 1.46 -0.21 0.00 0.00 0.00 0.00 51.96 53.77 1pg5 s ALA 189 Cb -0.10 -3.58 -0.07 0.00 0.00 0.00 0.00 23.12 19.37 1pg5 s ALA 189 CO 0.20 -1.10 1.10 1.03 0.00 0.00 0.00 175.76 177.00 1pg5 s ARG 190 N -2.32 3.66 0.23 0.00 0.52 -1.26 -4.89 118.95 114.88 1pg5 s ARG 190 Ca 0.58 1.57 -0.08 0.00 -0.52 0.00 0.00 55.73 57.28 1pg5 s ARG 190 Cb -0.44 -2.18 0.39 0.00 0.52 0.00 0.00 34.95 33.25 1pg5 s ARG 190 CO 0.57 -0.59 1.65 -0.22 0.02 0.00 0.00 175.30 176.73 1pg5 h LYS 191 N 1.63 0.12 -0.71 3.54 3.64 -1.99 -2.45 116.57 120.34 1pg5 h LYS 191 Ca -0.50 -0.01 0.08 0.00 -1.27 0.00 0.00 60.65 58.96 1pg5 h LYS 191 Cb 1.24 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.97 1pg5 h LYS 191 CO 0.59 0.08 0.38 1.49 -2.27 0.00 0.00 179.45 179.72 1pg5 h GLU 192 N 0.13 0.64 -0.11 1.90 4.22 -2.00 -1.48 114.58 117.88 1pg5 h GLU 192 Ca 0.38 -0.04 -0.13 0.00 0.08 0.00 0.00 59.36 59.66 1pg5 h GLU 192 Cb 0.65 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1pg5 h GLU 192 CO -0.60 0.43 -0.43 0.97 -2.18 0.00 0.00 179.01 177.20 1pg5 h ILE 193 N 0.66 1.37 -0.79 2.32 -0.00 -1.89 -3.10 117.51 116.09 1pg5 h ILE 193 Ca 0.34 -1.75 0.01 0.00 -0.00 0.00 0.00 64.86 63.46 1pg5 h ILE 193 Cb 0.30 2.16 -0.04 0.00 -0.00 0.00 0.00 36.82 39.24 1pg5 h ILE 193 CO -0.24 0.52 0.52 -0.07 -0.00 0.00 0.00 178.15 178.89 1pg5 h LEU 194 N 0.08 0.90 -1.04 2.19 3.38 -1.07 -1.84 115.31 117.91 1pg5 h LEU 194 Ca -0.02 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1pg5 h LEU 194 Cb 1.06 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1pg5 h LEU 194 CO 0.09 0.65 0.00 0.44 0.09 0.00 0.00 178.44 179.71 1pg5 h ASP 195 N 1.06 0.00 0.83 -0.43 3.45 -1.21 -2.60 116.42 117.52 1pg5 h ASP 195 Ca 0.29 0.00 -0.18 0.00 0.43 0.00 0.00 57.03 57.58 1pg5 h ASP 195 Cb -0.11 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 38.64 1pg5 h ASP 195 CO -0.07 0.00 -0.83 -0.33 -1.57 0.00 0.00 179.24 176.44 1pg5 h GLU 196 N 0.00 0.00 -7.08 3.56 5.08 -1.28 -3.47 114.58 111.39 1pg5 h GLU 196 Ca 0.00 -0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.87 1pg5 h GLU 196 Cb 0.24 0.00 0.05 0.00 0.50 0.00 0.00 28.75 29.55 1pg5 h GLU 196 CO 0.00 0.83 0.41 -0.51 -1.00 0.00 0.00 179.01 178.75 1pg5 s LEU 197 N -7.10 3.78 -0.16 1.33 1.43 -0.98 -4.97 118.68 112.01 1pg5 s LEU 197 Ca -0.00 2.07 0.16 0.00 -1.03 0.00 0.00 54.13 55.33 1pg5 s LEU 197 Cb 0.11 -4.57 0.35 0.00 0.03 0.00 0.00 46.19 42.11 1pg5 s LEU 197 CO 0.80 -1.05 1.20 -0.46 0.23 0.00 0.00 176.35 177.06 1pg5 n ASN 198 N -1.19 2.24 -4.01 2.29 6.94 -1.26 -5.02 115.26 115.25 1pg5 n ASN 198 Ca 0.11 -3.36 -0.08 0.00 -0.02 0.00 0.00 54.58 51.23 1pg5 n ASN 198 Cb 0.52 -0.47 -0.09 0.00 -2.36 0.00 0.00 39.78 37.37 1pg5 n ASN 198 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 1pg5 s TYR 199 N -3.00 0.38 0.49 -2.53 1.13 -1.26 -5.05 117.35 107.51 1pg5 s TYR 199 Ca 0.35 -0.87 -0.19 0.00 -1.41 0.00 0.00 57.07 54.95 1pg5 s TYR 199 Cb 0.31 -0.27 -0.08 0.00 -1.10 0.00 0.00 41.96 40.82 1pg5 s TYR 199 CO 0.00 -0.42 1.01 -2.14 -2.51 0.00 0.00 175.55 171.48 1pg5 s PRO 200 N -3.75 3.88 -0.06 -3.49 0.02 -1.26 -4.96 135.00 125.37 1pg5 s PRO 200 Ca 0.05 1.19 -0.13 0.00 0.02 0.00 0.00 61.00 62.13 1pg5 s PRO 200 Cb 0.06 -2.12 0.03 0.00 0.02 0.00 0.00 34.50 32.49 1pg5 s PRO 200 CO -0.10 -0.34 0.31 0.08 -0.33 0.00 0.00 177.00 176.63 1pg5 s VAL 201 N -2.22 0.03 -0.10 3.83 1.01 -1.26 -0.86 120.40 120.82 1pg5 s VAL 201 Ca 0.64 -0.27 -0.05 0.00 0.00 0.00 0.00 61.98 62.30 1pg5 s VAL 201 Cb -0.13 -0.54 0.05 0.00 0.00 0.00 0.00 36.38 35.75 1pg5 s VAL 201 CO 0.22 -0.15 0.23 -0.75 0.00 0.00 0.00 175.10 174.66 1pg5 s LYS 202 N -0.66 0.18 0.27 2.72 2.20 -0.78 -4.90 119.74 118.76 1pg5 s LYS 202 Ca -0.08 0.53 -0.28 0.00 -0.36 0.00 0.00 55.97 55.78 1pg5 s LYS 202 Cb -0.04 -0.13 -0.09 0.00 -1.51 0.00 0.00 37.83 36.06 1pg5 s LYS 202 CO 0.02 -0.18 0.93 -1.21 -0.36 0.00 0.00 175.35 174.56 1pg5 s GLU 203 N 1.38 4.75 -0.12 4.03 2.02 -1.26 -1.62 118.70 127.87 1pg5 s GLU 203 Ca -0.08 1.42 -0.22 0.00 0.02 0.00 0.00 54.97 56.10 1pg5 s GLU 203 Cb -0.11 -3.11 0.05 0.00 0.10 0.00 0.00 34.13 31.07 1pg5 s GLU 203 CO -0.08 0.44 0.55 0.08 0.02 0.00 0.00 175.26 176.26 1pg5 s VAL 204 N -1.34 0.01 -0.11 2.63 1.01 -0.75 -4.93 120.40 116.92 1pg5 s VAL 204 Ca 0.44 -0.10 0.15 0.00 0.00 0.00 0.00 61.98 62.47 1pg5 s VAL 204 Cb -0.23 -0.82 -0.24 0.00 0.00 0.00 0.00 36.38 35.09 1pg5 s VAL 204 CO 0.29 -0.05 0.43 -0.62 0.00 0.00 0.00 175.10 175.15 1pg5 n GLU 205 N 1.91 0.65 -4.83 2.72 1.02 -1.26 -3.11 120.64 117.75 1pg5 n GLU 205 Ca -0.17 0.18 -0.31 0.00 -0.02 0.00 0.00 57.16 56.84 1pg5 n GLU 205 Cb 0.56 -1.69 -0.17 0.00 -0.02 0.00 0.00 31.44 30.13 1pg5 n GLU 205 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1pg5 s ASN 206 N -5.85 2.87 0.38 1.62 2.47 -1.26 -4.60 114.94 110.57 1pg5 s ASN 206 Ca -0.07 -0.53 0.16 0.00 0.42 0.00 0.00 52.86 52.84 1pg5 s ASN 206 Cb 0.07 -1.32 0.77 0.00 -1.45 0.00 0.00 41.25 39.33 1pg5 s ASN 206 CO 0.83 0.09 1.81 1.55 -3.72 0.00 0.00 177.10 177.66 1pg5 h PRO 207 N 7.09 0.00 0.00 0.43 0.13 -1.91 -2.57 132.00 135.17 1pg5 h PRO 207 Ca -0.27 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.85 1pg5 h PRO 207 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1pg5 h PRO 207 CO 0.51 0.37 -0.06 0.74 -0.23 0.00 0.00 178.00 179.32 1pg5 h PHE 208 N 0.00 0.00 -0.95 1.56 -1.00 -1.95 0.14 116.94 114.74 1pg5 h PHE 208 Ca -0.00 0.00 0.08 0.00 2.81 0.00 0.00 57.97 60.86 1pg5 h PHE 208 Cb 0.72 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 40.22 1pg5 h PHE 208 CO 0.00 0.06 0.61 1.49 -1.61 0.00 0.00 178.31 178.86 1pg5 h GLU 209 N 0.00 1.01 0.00 1.51 4.81 -1.90 -3.35 114.58 116.66 1pg5 h GLU 209 Ca -0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1pg5 h GLU 209 Cb 0.25 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1pg5 h GLU 209 CO 0.01 0.67 0.00 1.33 -0.73 0.00 0.00 179.01 180.28 1pg5 n VAL 210 N -4.52 0.22 -0.21 0.32 0.24 -0.84 -4.84 118.33 108.70 1pg5 n VAL 210 Ca 0.15 -0.32 0.30 0.00 -2.04 0.00 0.00 64.34 62.43 1pg5 n VAL 210 Cb 0.24 1.16 0.73 0.00 -1.47 0.00 0.00 33.84 34.50 1pg5 n VAL 210 CO 0.00 0.00 0.00 -0.29 -2.14 0.00 0.00 176.83 174.40 1pg5 h ILE 211 N 1.19 0.47 0.00 1.34 6.09 -0.89 -1.07 117.51 124.63 1pg5 h ILE 211 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1pg5 h ILE 211 Cb 0.55 0.49 0.00 0.00 0.47 0.00 0.00 36.82 38.34 1pg5 h ILE 211 CO 0.00 0.00 0.00 -0.55 -3.07 0.00 0.00 178.15 174.53 1pg5 h ASN 212 N 0.00 0.00 0.22 2.19 -1.07 -1.86 -3.02 115.58 112.04 1pg5 h ASN 212 Ca 0.46 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.83 1pg5 h ASN 212 Cb 1.90 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 38.15 1pg5 h ASN 212 CO -0.00 0.00 -0.96 -0.62 0.07 0.00 0.00 177.43 175.92 1pg5 n GLU 213 N -2.91 0.12 -3.62 4.14 1.02 -0.40 -4.38 120.64 114.60 1pg5 n GLU 213 Ca 0.01 -0.01 -0.36 0.00 -0.02 0.00 0.00 57.16 56.78 1pg5 n GLU 213 Cb 0.30 -1.53 -0.07 0.00 -0.02 0.00 0.00 31.44 30.12 1pg5 n GLU 213 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1pg5 s VAL 214 N -3.08 5.35 0.10 2.62 -7.23 -1.14 -4.77 120.40 112.24 1pg5 s VAL 214 Ca 0.07 0.41 -0.13 0.00 -1.81 0.00 0.00 61.98 60.52 1pg5 s VAL 214 Cb 0.16 -3.57 -0.14 0.00 0.56 0.00 0.00 36.38 33.39 1pg5 s VAL 214 CO 0.82 0.42 1.32 0.44 -0.31 0.00 0.00 175.10 177.79 1pg5 h ASP 215 N 6.55 0.94 -3.38 4.85 5.19 -0.66 -3.43 116.42 126.49 1pg5 h ASP 215 Ca -0.42 -0.61 -0.45 0.00 -0.62 0.00 0.00 57.03 54.94 1pg5 h ASP 215 Cb 1.16 -0.28 -0.35 0.00 0.18 0.00 0.00 39.33 40.05 1pg5 h ASP 215 CO 0.75 1.39 -0.78 -0.69 -3.12 0.00 0.00 179.24 176.78 1pg5 s VAL 216 N -3.83 0.66 -0.18 -1.35 1.01 -1.03 -1.32 120.40 114.36 1pg5 s VAL 216 Ca -0.11 -0.15 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 1pg5 s VAL 216 Cb 0.09 -0.69 0.00 0.00 0.00 0.00 0.00 36.38 35.77 1pg5 s VAL 216 CO 0.90 0.27 -0.12 -0.22 0.00 0.00 0.00 175.10 175.93 1pg5 s LEU 217 N 1.19 2.58 -0.16 3.92 0.20 -0.41 -0.46 118.68 125.53 1pg5 s LEU 217 Ca -0.06 -0.47 0.01 0.00 0.69 0.00 0.00 54.13 54.29 1pg5 s LEU 217 Cb -0.14 -1.62 0.02 0.00 -0.43 0.00 0.00 46.19 44.03 1pg5 s LEU 217 CO -0.01 0.03 -0.16 -0.47 -0.29 0.00 0.00 176.35 175.45 1pg5 s TYR 218 N 1.15 2.39 0.00 5.38 5.04 0.39 -0.08 117.35 131.63 1pg5 s TYR 218 Ca 0.01 -1.40 0.05 0.00 -2.44 0.00 0.00 57.07 53.29 1pg5 s TYR 218 Cb -0.14 -1.70 -0.03 0.00 0.35 0.00 0.00 41.96 40.43 1pg5 s TYR 218 CO -0.04 -0.72 -0.14 0.54 -1.34 0.00 0.00 175.55 173.85 1pg5 s VAL 219 N 1.41 3.11 -0.02 3.14 0.11 -0.63 -1.04 120.40 126.49 1pg5 s VAL 219 Ca 0.04 -0.92 0.06 0.00 -2.93 0.00 0.00 61.98 58.23 1pg5 s VAL 219 Cb -0.13 -2.30 -0.01 0.00 -1.53 0.00 0.00 36.38 32.41 1pg5 s VAL 219 CO -0.11 0.44 -0.20 0.42 -3.33 0.00 0.00 175.10 172.31 1pg5 s THR 220 N -0.88 1.59 0.25 5.04 -4.23 -0.22 -4.46 115.64 112.73 1pg5 s THR 220 Ca 0.14 -0.85 -0.31 0.00 -1.18 0.00 0.00 61.69 59.49 1pg5 s THR 220 Cb -0.11 -1.33 -0.14 0.00 1.34 0.00 0.00 72.50 72.27 1pg5 s THR 220 CO 0.04 0.45 1.29 -1.14 -0.54 0.00 0.00 174.62 174.72 1pg5 n ARG 221 N 2.67 1.78 -3.48 3.99 0.63 -1.26 -3.40 116.66 117.59 1pg5 n ARG 221 Ca -0.16 0.63 -0.37 0.00 -0.92 0.00 0.00 57.85 57.04 1pg5 n ARG 221 Cb 0.53 -2.21 -0.07 0.00 0.45 0.00 0.00 32.46 31.17 1pg5 n ARG 221 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1pg5 s ILE 222 N -0.39 5.25 -0.09 5.15 1.01 -1.26 -4.05 121.20 126.83 1pg5 s ILE 222 Ca 0.66 0.69 -0.01 0.00 0.00 0.00 0.00 60.65 61.98 1pg5 s ILE 222 Cb -0.68 -3.69 -0.03 0.00 0.01 0.00 0.00 42.46 38.07 1pg5 s ILE 222 CO 0.54 0.40 -0.02 -1.10 0.00 0.00 0.00 174.94 174.75 1pg5 s GLN 223 N 0.31 3.01 0.40 2.79 -0.21 -1.26 -4.98 119.66 119.71 1pg5 s GLN 223 Ca 0.20 -0.45 0.16 0.00 0.02 0.00 0.00 55.36 55.29 1pg5 s GLN 223 Cb -0.14 -2.76 1.04 0.00 1.00 0.00 0.00 33.01 32.15 1pg5 s GLN 223 CO 0.07 0.64 1.82 1.57 -2.12 0.00 0.00 175.29 177.27 1pg5 h LYS 224 N 5.37 0.44 -1.04 2.91 5.09 -1.99 -3.29 116.57 124.06 1pg5 h LYS 224 Ca -0.48 -0.03 -0.01 0.00 0.09 0.00 0.00 60.65 60.23 1pg5 h LYS 224 Cb 1.19 -0.10 -0.00 0.00 0.10 0.00 0.00 32.23 33.41 1pg5 h LYS 224 CO 0.55 0.29 0.01 -0.85 -2.09 0.00 0.00 179.45 177.36 1pg5 n GLU 225 N -4.57 1.01 -0.42 0.07 0.00 -1.26 -2.80 120.64 112.67 1pg5 n GLU 225 Ca 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 57.16 57.34 1pg5 n GLU 225 Cb 0.73 -1.01 0.00 0.00 0.00 0.00 0.00 31.44 31.16 1pg5 n GLU 225 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1pg5 n ARG 226 N 0.52 0.00 -4.30 3.44 3.00 -1.24 -5.13 116.66 112.95 1pg5 n ARG 226 Ca 0.01 -0.26 -0.16 0.00 -0.00 0.00 0.00 57.85 57.44 1pg5 n ARG 226 Cb 0.51 -0.14 -0.10 0.00 0.00 0.00 0.00 32.46 32.73 1pg5 n ARG 226 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1pg5 s PHE 227 N 0.00 1.47 0.02 -0.14 0.40 -1.12 -5.03 117.98 113.58 1pg5 s PHE 227 Ca 0.00 -0.72 -0.04 0.00 -0.60 0.00 0.00 56.93 55.56 1pg5 s PHE 227 Cb 0.00 -0.75 -0.01 0.00 0.51 0.00 0.00 43.02 42.77 1pg5 s PHE 227 CO 0.00 0.16 1.07 -0.24 0.70 0.00 0.00 175.22 176.90 1pg5 h VAL 228 N 2.64 0.00 -4.45 -0.44 3.04 -1.99 -3.45 116.25 111.60 1pg5 h VAL 228 Ca -0.37 0.00 -0.21 0.00 -1.01 0.00 0.00 66.70 65.11 1pg5 h VAL 228 Cb 1.21 0.00 -0.14 0.00 -2.01 0.00 0.00 31.29 30.34 1pg5 h VAL 228 CO 0.63 0.00 -0.57 1.51 -1.01 0.00 0.00 177.57 178.14 1pg5 s ASP 229 N -3.01 0.15 0.50 3.17 3.84 -1.26 -5.04 116.67 115.02 1pg5 s ASP 229 Ca -0.02 -1.30 0.20 0.00 -0.00 0.00 0.00 52.55 51.44 1pg5 s ASP 229 Cb 0.01 0.39 1.26 0.00 -1.38 0.00 0.00 42.92 43.19 1pg5 s ASP 229 CO 0.08 -0.85 2.02 -0.08 -0.00 0.00 0.00 175.17 176.33 1pg5 h GLU 230 N 2.63 0.13 0.00 2.11 4.81 -1.90 -2.74 114.58 119.61 1pg5 h GLU 230 Ca -0.35 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 58.82 1pg5 h GLU 230 Cb 1.24 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 1pg5 h GLU 230 CO 0.52 0.08 -0.26 0.52 -0.73 0.00 0.00 179.01 179.15 1pg5 h MET 231 N 0.13 0.00 0.19 1.92 2.86 -1.98 -0.34 114.93 117.72 1pg5 h MET 231 Ca 0.22 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.59 1pg5 h MET 231 Cb 0.70 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.39 1pg5 h MET 231 CO -0.03 0.26 -1.16 1.49 1.06 0.00 0.00 176.91 178.53 1pg5 h GLU 232 N 0.00 0.45 0.37 1.72 4.22 -1.91 -2.22 114.58 117.22 1pg5 h GLU 232 Ca -0.00 -0.74 -0.01 0.00 0.08 0.00 0.00 59.36 58.68 1pg5 h GLU 232 Cb 0.53 0.27 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 1pg5 h GLU 232 CO 0.03 1.35 -0.22 -0.92 -2.18 0.00 0.00 179.01 177.07 1pg5 h TYR 233 N -0.07 -0.59 -0.17 0.92 5.03 -1.46 -2.37 116.97 118.27 1pg5 h TYR 233 Ca -0.20 -0.01 0.04 0.00 2.58 0.00 0.00 58.73 61.14 1pg5 h TYR 233 Cb 1.91 0.21 -0.01 0.00 1.55 0.00 0.00 36.73 40.39 1pg5 h TYR 233 CO 0.16 -0.35 0.12 0.93 -1.32 0.00 0.00 178.16 177.70 1pg5 h GLU 234 N -0.57 0.06 0.00 1.82 4.39 -1.12 0.29 114.58 119.45 1pg5 h GLU 234 Ca -0.04 -0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.57 1pg5 h GLU 234 Cb 0.47 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 1pg5 h GLU 234 CO 0.05 0.04 -0.43 -0.22 -1.16 0.00 0.00 179.01 177.29 1pg5 h LYS 235 N 0.06 0.00 0.00 2.33 3.64 -1.09 -3.38 116.57 118.13 1pg5 h LYS 235 Ca 0.08 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.17 1pg5 h LYS 235 Cb 0.23 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.00 1pg5 h LYS 235 CO -0.01 0.43 -2.03 -0.89 -2.27 0.00 0.00 179.45 174.68 1pg5 n ILE 236 N -3.51 1.03 -0.25 2.00 -0.00 -0.78 -4.59 119.36 113.26 1pg5 n ILE 236 Ca -0.00 -0.33 0.16 0.00 -0.00 0.00 0.00 62.75 62.58 1pg5 n ILE 236 Cb 0.56 -1.43 0.30 0.00 -0.00 0.00 0.00 39.64 39.07 1pg5 n ILE 236 CO 0.00 0.00 0.00 2.29 -0.00 0.00 0.00 176.55 178.84 1pg5 n LYS 237 N -3.41 -0.05 0.08 0.38 2.85 0.02 -1.28 118.16 116.75 1pg5 n LYS 237 Ca -0.34 1.08 0.07 0.00 -1.05 0.00 0.00 58.31 58.07 1pg5 n LYS 237 Cb 0.80 -1.80 0.52 0.00 -0.65 0.00 0.00 35.03 33.91 1pg5 n LYS 237 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 1pg5 h GLY 238 N 0.00 0.35 -3.03 2.58 0.00 -1.81 -3.14 103.07 98.02 1pg5 h GLY 238 Ca 0.52 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.72 1pg5 h GLY 238 CO -0.65 0.11 0.00 -1.14 0.00 0.00 0.00 176.54 174.86 1pg5 n SER 239 N -4.49 5.08 -0.09 0.19 3.41 -0.40 -3.67 113.62 113.64 1pg5 n SER 239 Ca 0.02 -2.76 0.05 0.00 -0.26 0.00 0.00 58.87 55.92 1pg5 n SER 239 Cb 0.14 -0.62 0.07 0.00 -0.26 0.00 0.00 64.21 63.54 1pg5 n SER 239 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1pg5 n TYR 240 N 0.61 0.00 -2.96 7.33 4.02 -1.19 -4.70 117.16 120.28 1pg5 n TYR 240 Ca 0.26 -0.65 -0.36 0.00 -0.01 0.00 0.00 57.90 57.13 1pg5 n TYR 240 Cb 1.03 -0.09 -0.06 0.00 -0.02 0.00 0.00 39.34 40.20 1pg5 n TYR 240 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1pg5 s ILE 241 N -1.72 4.41 -0.67 -0.72 1.01 -1.24 -4.76 121.20 117.51 1pg5 s ILE 241 Ca 0.16 1.52 -0.25 0.00 0.00 0.00 0.00 60.65 62.08 1pg5 s ILE 241 Cb 0.14 -3.92 0.05 0.00 0.01 0.00 0.00 42.46 38.73 1pg5 s ILE 241 CO 0.01 0.18 1.12 -0.69 0.00 0.00 0.00 174.94 175.56 1pg5 s VAL 242 N -1.57 4.05 0.47 2.92 1.01 0.17 -4.98 120.40 122.47 1pg5 s VAL 242 Ca 0.46 0.15 -0.05 0.00 0.00 0.00 0.00 61.98 62.55 1pg5 s VAL 242 Cb -0.17 -4.77 -0.04 0.00 0.00 0.00 0.00 36.38 31.40 1pg5 s VAL 242 CO 0.22 -1.58 0.77 -0.94 0.00 0.00 0.00 175.10 173.57 1pg5 s SER 243 N 3.54 6.27 0.38 3.32 1.04 -1.26 -0.68 113.70 126.31 1pg5 s SER 243 Ca 0.30 0.90 0.10 0.00 0.48 0.00 0.00 55.95 57.73 1pg5 s SER 243 Cb -0.12 -2.23 0.87 0.00 0.10 0.00 0.00 66.02 64.64 1pg5 s SER 243 CO 0.15 -0.56 1.93 0.25 0.98 0.00 0.00 173.24 175.98 1pg5 h LEU 244 N 0.26 0.56 -0.67 2.42 5.85 -1.96 -1.79 115.31 119.99 1pg5 h LEU 244 Ca -0.47 0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.15 1pg5 h LEU 244 Cb 1.21 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 1pg5 h LEU 244 CO 0.62 0.32 -0.25 0.44 -0.34 0.00 0.00 178.44 179.23 1pg5 h ASP 245 N 0.62 0.79 -0.11 1.25 5.19 -2.00 -2.43 116.42 119.72 1pg5 h ASP 245 Ca 0.36 -0.29 -0.16 0.00 -0.62 0.00 0.00 57.03 56.31 1pg5 h ASP 245 Cb 0.56 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.84 1pg5 h ASP 245 CO -0.13 1.00 -0.50 0.25 -3.12 0.00 0.00 179.24 176.74 1pg5 h LEU 246 N 0.67 0.75 -0.96 1.55 5.85 -1.75 -2.78 115.31 118.65 1pg5 h LEU 246 Ca 0.09 -0.38 0.14 0.00 0.84 0.00 0.00 57.88 58.56 1pg5 h LEU 246 Cb 0.76 -0.21 -0.09 0.00 0.37 0.00 0.00 40.66 41.49 1pg5 h LEU 246 CO 0.06 1.12 0.58 0.00 -0.34 0.00 0.00 178.44 179.86 1pg5 h ALA 247 N 0.90 1.47 0.00 1.25 0.00 -1.34 -2.99 119.26 118.55 1pg5 h ALA 247 Ca 0.02 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1pg5 h ALA 247 Cb 1.06 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1pg5 h ALA 247 CO 0.10 0.10 -0.29 -0.91 0.00 0.00 0.00 179.25 178.26 1pg5 h ASN 248 N 0.86 0.00 -0.00 0.00 2.35 -1.15 -2.80 115.58 114.84 1pg5 h ASN 248 Ca 0.50 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.25 1pg5 h ASN 248 Cb 0.58 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.95 1pg5 h ASN 248 CO -0.30 0.29 -0.00 0.29 -1.65 0.00 0.00 177.43 176.05 1pg5 n LYS 249 N -3.34 1.30 -2.95 0.81 4.76 -1.13 -4.88 118.16 112.73 1pg5 n LYS 249 Ca 0.01 -0.45 -0.31 0.00 -2.87 0.00 0.00 58.31 54.69 1pg5 n LYS 249 Cb 0.51 -1.49 -0.04 0.00 -1.84 0.00 0.00 35.03 32.17 1pg5 n LYS 249 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 1pg5 s MET 250 N -2.00 3.88 0.96 1.97 -1.94 -1.06 -4.10 119.30 117.01 1pg5 s MET 250 Ca 0.43 0.57 -0.14 0.00 -1.71 0.00 0.00 55.69 54.85 1pg5 s MET 250 Cb 0.22 -2.40 0.00 0.00 2.01 0.00 0.00 34.83 34.66 1pg5 s MET 250 CO 0.35 0.03 0.17 1.63 -0.01 0.00 0.00 175.02 177.20 1pg5 n LYS 251 N -0.93 -0.24 -0.14 2.03 5.02 -1.26 -4.89 118.16 117.74 1pg5 n LYS 251 Ca 0.03 -0.04 0.04 0.00 -2.02 0.00 0.00 58.31 56.33 1pg5 n LYS 251 Cb 0.54 -1.69 0.35 0.00 -0.02 0.00 0.00 35.03 34.20 1pg5 n LYS 251 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1pg5 h LYS 252 N -1.46 0.74 -0.64 1.97 3.64 -1.97 -3.12 116.57 115.74 1pg5 h LYS 252 Ca -0.44 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1pg5 h LYS 252 Cb 1.29 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1pg5 h LYS 252 CO 0.32 0.49 0.00 -3.47 -2.27 0.00 0.00 179.45 174.52 1pg5 n ASP 253 N -4.46 3.85 -4.91 4.20 4.64 -1.26 -4.96 116.55 113.65 1pg5 n ASP 253 Ca 0.08 -2.00 -0.27 0.00 -1.38 0.00 0.00 54.79 51.22 1pg5 n ASP 253 Cb 0.14 -0.43 0.00 0.00 -1.04 0.00 0.00 41.12 39.80 1pg5 n ASP 253 CO 0.00 0.00 0.00 -0.44 -0.82 0.00 0.00 177.20 175.94 1pg5 s SER 254 N -1.15 6.18 0.07 1.67 0.01 -1.18 -5.03 113.70 114.28 1pg5 s SER 254 Ca 0.47 0.91 0.05 0.00 1.31 0.00 0.00 55.95 58.69 1pg5 s SER 254 Cb 0.25 -2.19 -0.03 0.00 0.21 0.00 0.00 66.02 64.27 1pg5 s SER 254 CO 0.33 -0.64 -0.14 0.27 0.41 0.00 0.00 173.24 173.47 1pg5 s ILE 255 N -2.78 1.08 -0.13 1.44 -4.36 -0.43 -4.57 121.20 111.45 1pg5 s ILE 255 Ca 0.48 -1.26 -0.00 0.00 -0.26 0.00 0.00 60.65 59.61 1pg5 s ILE 255 Cb -0.10 -1.04 -0.01 0.00 1.25 0.00 0.00 42.46 42.55 1pg5 s ILE 255 CO 0.45 -0.21 -0.13 -0.63 0.24 0.00 0.00 174.94 174.66 1pg5 s ILE 256 N -1.23 3.06 0.05 8.37 1.01 -0.52 -1.28 121.20 130.65 1pg5 s ILE 256 Ca -0.02 -0.66 0.06 0.00 0.00 0.00 0.00 60.65 60.03 1pg5 s ILE 256 Cb -0.10 -2.28 -0.02 0.00 0.01 0.00 0.00 42.46 40.07 1pg5 s ILE 256 CO 0.02 0.52 -0.16 -0.76 0.00 0.00 0.00 174.94 174.56 1pg5 s LEU 257 N 0.36 2.19 -0.27 2.97 1.43 0.88 -1.57 118.68 124.69 1pg5 s LEU 257 Ca -0.11 -0.50 -0.12 0.00 -1.03 0.00 0.00 54.13 52.37 1pg5 s LEU 257 Cb -0.16 -0.69 0.10 0.00 0.03 0.00 0.00 46.19 45.47 1pg5 s LEU 257 CO 0.06 0.05 0.61 -2.28 0.23 0.00 0.00 176.35 175.01 1pg5 s HIS 258 N -0.90 -1.11 -0.43 0.29 2.46 -1.26 -1.60 115.29 112.74 1pg5 s HIS 258 Ca 0.03 2.06 -0.29 0.00 0.47 0.00 0.00 55.06 57.33 1pg5 s HIS 258 Cb -0.08 0.63 0.02 0.00 -0.13 0.00 0.00 32.58 33.01 1pg5 s HIS 258 CO 0.02 -0.56 1.31 -1.25 -2.47 0.00 0.00 174.74 171.78 1pg5 s PRO 259 N 2.29 3.65 0.86 2.88 0.04 -1.26 -4.84 135.00 138.62 1pg5 s PRO 259 Ca -0.07 0.83 -0.12 0.00 0.04 0.00 0.00 61.00 61.68 1pg5 s PRO 259 Cb -0.09 -3.97 0.11 0.00 0.04 0.00 0.00 34.50 30.58 1pg5 s PRO 259 CO -0.18 -1.47 1.10 -0.51 0.04 0.00 0.00 177.00 175.99 1pg5 s LEU 260 N 5.01 2.31 0.75 -3.56 1.02 -1.26 -4.76 118.68 118.18 1pg5 s LEU 260 Ca 0.56 1.28 -0.11 0.00 0.02 0.00 0.00 54.13 55.88 1pg5 s LEU 260 Cb -0.11 -3.76 0.04 0.00 0.02 0.00 0.00 46.19 42.38 1pg5 s LEU 260 CO 0.32 -2.36 1.08 -2.16 0.02 0.00 0.00 176.35 173.25 1pg5 s PRO 261 N -5.10 2.51 0.24 1.29 0.04 -1.26 -5.09 135.00 127.63 1pg5 s PRO 261 Ca 0.62 0.73 0.08 0.00 0.04 0.00 0.00 61.00 62.48 1pg5 s PRO 261 Cb -0.16 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 1pg5 s PRO 261 CO 0.55 -1.34 0.05 -0.98 0.04 0.00 0.00 177.00 175.32 1pg5 s ARG 262 N -5.14 2.49 0.00 4.56 1.70 -1.26 -5.04 118.95 116.26 1pg5 s ARG 262 Ca 0.59 -1.24 0.00 0.00 -0.47 0.00 0.00 55.73 54.61 1pg5 s ARG 262 Cb -0.14 -2.32 0.00 0.00 -0.57 0.00 0.00 34.95 31.92 1pg5 s ARG 262 CO 0.54 0.40 0.00 0.28 -1.08 0.00 0.00 175.30 175.44 1pg5 n VAL 263 N -0.76 0.00 -2.47 4.99 0.31 -1.26 -5.01 118.33 114.13 1pg5 n VAL 263 Ca -0.08 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.29 1pg5 n VAL 263 Cb 0.58 -0.60 0.04 0.00 -0.91 0.00 0.00 33.84 32.94 1pg5 n VAL 263 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1pg5 n ASN 264 N -0.93 1.20 -0.16 4.52 4.13 -1.26 -4.85 115.26 117.91 1pg5 n ASN 264 Ca 0.00 -2.19 0.15 0.00 1.68 0.00 0.00 54.58 54.22 1pg5 n ASN 264 Cb 0.00 -0.34 0.68 0.00 -1.54 0.00 0.00 39.78 38.58 1pg5 n ASN 264 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 1pg5 n GLU 265 N 0.19 0.96 -3.82 3.52 0.00 -1.26 -4.67 120.64 115.56 1pg5 n GLU 265 Ca 0.08 -0.32 -0.25 0.00 0.00 0.00 0.00 57.16 56.67 1pg5 n GLU 265 Cb 1.06 -1.49 -0.17 0.00 0.00 0.00 0.00 31.44 30.84 1pg5 n GLU 265 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1pg5 s ILE 266 N -2.26 0.68 0.05 3.84 1.01 -1.26 -0.66 121.20 122.60 1pg5 s ILE 266 Ca 0.36 -0.16 -0.34 0.00 0.00 0.00 0.00 60.65 60.50 1pg5 s ILE 266 Cb 0.21 -0.83 -0.13 0.00 0.01 0.00 0.00 42.46 41.71 1pg5 s ILE 266 CO 0.42 0.23 1.67 -0.67 0.00 0.00 0.00 174.94 176.60 1pg5 n ASP 267 N 5.04 3.07 0.19 3.58 4.64 0.14 -4.85 116.55 128.35 1pg5 n ASP 267 Ca -0.10 1.05 0.13 0.00 -1.38 0.00 0.00 54.79 54.49 1pg5 n ASP 267 Cb 0.49 -1.37 0.67 0.00 -1.04 0.00 0.00 41.12 39.87 1pg5 n ASP 267 CO 0.00 0.00 0.00 0.03 -0.82 0.00 0.00 177.20 176.41 1pg5 h ARG 268 N 7.03 0.00 0.00 -0.67 3.08 -1.97 -1.46 114.38 120.38 1pg5 h ARG 268 Ca -0.46 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.47 1pg5 h ARG 268 Cb 1.27 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.30 1pg5 h ARG 268 CO 0.90 0.00 -0.54 0.87 -1.07 0.00 0.00 179.97 180.14 1pg5 h LYS 269 N 0.00 0.00 -0.57 0.04 1.57 -1.97 -3.00 116.57 112.64 1pg5 h LYS 269 Ca 0.00 0.00 0.16 0.00 -1.87 0.00 0.00 60.65 58.94 1pg5 h LYS 269 Cb 0.09 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1pg5 h LYS 269 CO 0.00 0.54 0.41 0.28 -0.57 0.00 0.00 179.45 180.11 1pg5 h VAL 270 N 0.00 0.71 0.00 0.50 2.07 -1.64 -2.60 116.25 115.29 1pg5 h VAL 270 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1pg5 h VAL 270 Cb 0.96 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1pg5 h VAL 270 CO 0.07 0.00 0.00 0.47 0.02 0.00 0.00 177.57 178.13 1pg5 n ASP 271 N -4.35 0.00 -0.00 0.57 8.00 -1.13 -1.35 116.55 118.29 1pg5 n ASP 271 Ca 0.11 0.22 0.09 0.00 0.71 0.00 0.00 54.79 55.91 1pg5 n ASP 271 Cb 0.65 -0.32 -0.11 0.00 -0.02 0.00 0.00 41.12 41.31 1pg5 n ASP 271 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1pg5 n LYS 272 N -1.32 0.98 -1.94 -1.24 5.02 -0.98 -4.97 118.16 113.71 1pg5 n LYS 272 Ca 0.04 -0.05 -0.32 0.00 -2.02 0.00 0.00 58.31 55.96 1pg5 n LYS 272 Cb 0.08 -1.36 0.02 0.00 -0.02 0.00 0.00 35.03 33.74 1pg5 n LYS 272 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1pg5 s THR 273 N -2.84 4.03 -0.39 -0.18 -4.23 -0.45 -4.97 115.64 106.59 1pg5 s THR 273 Ca 0.03 0.85 0.25 0.00 -1.18 0.00 0.00 61.69 61.64 1pg5 s THR 273 Cb 0.13 -3.46 0.27 0.00 1.34 0.00 0.00 72.50 70.78 1pg5 s THR 273 CO 0.74 -0.68 1.76 0.71 -0.54 0.00 0.00 174.62 176.61 1pg5 h THR 274 N 0.11 0.00 0.00 3.99 1.35 -1.93 -3.20 112.91 113.23 1pg5 h THR 274 Ca -0.46 -0.28 -0.15 0.00 -0.55 0.00 0.00 66.41 64.98 1pg5 h THR 274 Cb 1.21 1.06 -0.02 0.00 -1.73 0.00 0.00 68.15 68.67 1pg5 h THR 274 CO 0.58 0.00 -0.80 0.11 -0.25 0.00 0.00 175.52 175.16 1pg5 h LYS 275 N 0.00 0.00 -6.29 4.72 1.57 -1.89 -3.45 116.57 111.23 1pg5 h LYS 275 Ca 0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 1pg5 h LYS 275 Cb 0.39 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.72 1pg5 h LYS 275 CO 0.00 0.58 1.25 0.00 -0.57 0.00 0.00 179.45 180.72 1pg5 n ALA 276 N -2.29 1.49 -1.02 3.86 0.00 -1.21 -1.44 120.51 119.89 1pg5 n ALA 276 Ca -0.01 0.16 0.02 0.00 0.00 0.00 0.00 53.44 53.61 1pg5 n ALA 276 Cb 0.81 -2.68 0.03 0.00 0.00 0.00 0.00 19.45 17.61 1pg5 n ALA 276 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1pg5 n LYS 277 N 7.57 1.02 0.05 0.00 4.01 -0.61 -4.83 118.16 125.38 1pg5 n LYS 277 Ca 0.22 -1.33 -0.07 0.00 -0.51 0.00 0.00 58.31 56.62 1pg5 n LYS 277 Cb 0.39 -0.85 -0.12 0.00 -0.51 0.00 0.00 35.03 33.95 1pg5 n LYS 277 CO 0.00 0.00 0.00 0.10 -1.11 0.00 0.00 177.40 176.39 1pg5 h TYR 278 N 0.00 0.00 -0.15 2.13 -0.00 -1.88 -1.57 116.97 115.50 1pg5 h TYR 278 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1pg5 h TYR 278 Cb 0.98 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.70 1pg5 h TYR 278 CO 0.03 1.00 0.07 0.74 -0.00 0.00 0.00 178.16 179.99 1pg5 h PHE 279 N 0.00 0.21 -0.60 0.10 0.04 -1.91 -1.49 116.94 113.29 1pg5 h PHE 279 Ca -0.03 -0.01 -0.07 0.00 2.80 0.00 0.00 57.97 60.65 1pg5 h PHE 279 Cb 1.79 -0.07 -0.03 0.00 2.20 0.00 0.00 35.95 39.85 1pg5 h PHE 279 CO 0.00 0.24 0.09 0.93 -0.60 0.00 0.00 178.31 178.97 1pg5 h GLU 280 N 0.12 0.98 -0.16 1.51 3.07 -1.89 -2.45 114.58 115.75 1pg5 h GLU 280 Ca 0.05 -0.25 0.03 0.00 -0.50 0.00 0.00 59.36 58.69 1pg5 h GLU 280 Cb 0.11 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 27.87 1pg5 h GLU 280 CO -0.01 0.91 -0.04 0.37 -1.40 0.00 0.00 179.01 178.84 1pg5 h GLN 281 N 0.92 0.00 0.00 2.33 4.15 -1.19 -0.87 115.11 120.45 1pg5 h GLN 281 Ca 0.19 -0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.58 1pg5 h GLN 281 Cb 0.41 -0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.10 1pg5 h GLN 281 CO 0.01 0.00 -0.14 0.00 -1.93 0.00 0.00 178.83 176.77 1pg5 h ALA 282 N 1.16 1.46 0.00 3.38 0.00 -0.99 -2.48 119.26 121.80 1pg5 h ALA 282 Ca 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1pg5 h ALA 282 Cb 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1pg5 h ALA 282 CO -0.16 0.18 0.00 -1.13 0.00 0.00 0.00 179.25 178.13 1pg5 n SER 283 N -3.93 0.32 -0.13 0.00 3.41 -0.37 -2.56 113.62 110.35 1pg5 n SER 283 Ca -0.02 0.54 0.11 0.00 -0.26 0.00 0.00 58.87 59.24 1pg5 n SER 283 Cb 0.23 -0.62 0.06 0.00 -0.26 0.00 0.00 64.21 63.62 1pg5 n SER 283 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1pg5 n TYR 284 N -1.81 0.00 -0.20 7.33 0.53 -0.93 -4.47 117.16 117.61 1pg5 n TYR 284 Ca 0.05 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.93 1pg5 n TYR 284 Cb 0.32 -0.08 0.08 0.00 -1.03 0.00 0.00 39.34 38.64 1pg5 n TYR 284 CO 0.00 0.00 0.00 0.78 -1.02 0.00 0.00 176.86 176.62 1pg5 h GLY 285 N 4.96 0.58 0.77 2.72 0.00 -1.54 -1.49 103.07 109.06 1pg5 h GLY 285 Ca 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 1pg5 h GLY 285 CO 0.00 -0.20 -0.14 -2.08 0.00 0.00 0.00 176.54 174.12 1pg5 h VAL 286 N 0.08 0.75 -0.50 4.60 2.07 -1.81 -1.87 116.25 119.58 1pg5 h VAL 286 Ca 0.30 -0.44 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 1pg5 h VAL 286 Cb 0.49 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 1pg5 h VAL 286 CO -0.54 0.09 0.20 1.55 0.02 0.00 0.00 177.57 178.89 1pg5 h PRO 287 N -0.62 0.71 -0.71 1.57 0.13 -1.81 0.03 132.00 131.31 1pg5 h PRO 287 Ca -0.04 -0.10 -0.03 0.00 -0.87 0.00 0.00 66.00 64.96 1pg5 h PRO 287 Cb 0.45 -0.13 -0.03 0.00 0.13 0.00 0.00 31.00 31.41 1pg5 h PRO 287 CO 0.06 0.59 0.31 0.28 -0.23 0.00 0.00 178.00 179.01 1pg5 h VAL 288 N 0.71 1.24 -0.07 1.56 2.07 -1.31 0.19 116.25 120.64 1pg5 h VAL 288 Ca 0.17 -0.72 -0.18 0.00 0.82 0.00 0.00 66.70 66.80 1pg5 h VAL 288 Cb 0.14 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 1pg5 h VAL 288 CO -0.02 0.29 -0.71 0.03 0.02 0.00 0.00 177.57 177.18 1pg5 h ARG 289 N 1.00 0.35 -0.99 1.57 3.08 -0.83 -0.90 114.38 117.65 1pg5 h ARG 289 Ca 0.24 -0.28 0.13 0.00 0.07 0.00 0.00 59.98 60.14 1pg5 h ARG 289 Cb 0.16 0.06 -0.08 0.00 0.08 0.00 0.00 29.97 30.19 1pg5 h ARG 289 CO -0.03 0.92 0.62 0.52 -1.07 0.00 0.00 179.97 180.94 1pg5 h MET 290 N 0.24 0.91 -0.13 0.04 2.86 -0.83 -0.27 114.93 117.75 1pg5 h MET 290 Ca -0.03 -0.05 -0.13 0.00 -2.06 0.00 0.00 59.70 57.43 1pg5 h MET 290 Cb 1.28 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.74 1pg5 h MET 290 CO 0.12 0.60 -0.43 0.77 1.06 0.00 0.00 176.91 179.03 1pg5 h SER 291 N 0.94 0.61 -0.92 1.22 0.02 -0.27 0.67 113.55 115.81 1pg5 h SER 291 Ca 0.50 -0.60 0.01 0.00 -0.84 0.00 0.00 61.79 60.85 1pg5 h SER 291 Cb 0.55 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 62.87 1pg5 h SER 291 CO -0.27 1.11 0.61 0.40 -1.14 0.00 0.00 176.83 177.54 1pg5 h ILE 292 N 0.15 1.24 -0.18 3.27 2.04 -1.01 -1.07 117.51 121.94 1pg5 h ILE 292 Ca -0.02 -0.43 -0.14 0.00 1.00 0.00 0.00 64.86 65.28 1pg5 h ILE 292 Cb 1.05 -0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1pg5 h ILE 292 CO 0.09 0.23 -0.47 -0.07 0.00 0.00 0.00 178.15 177.93 1pg5 h LEU 293 N 1.25 0.50 -1.21 1.44 -0.00 -0.70 -2.17 115.31 114.42 1pg5 h LEU 293 Ca 0.34 -0.24 -0.08 0.00 -0.00 0.00 0.00 57.88 57.89 1pg5 h LEU 293 Cb -0.14 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 40.36 1pg5 h LEU 293 CO -0.07 0.90 -0.37 0.74 -0.00 0.00 0.00 178.44 179.63 1pg5 h THR 294 N 0.37 1.27 -0.00 0.22 2.02 -0.09 -1.33 112.91 115.37 1pg5 h THR 294 Ca 0.02 -1.31 -0.16 0.00 0.77 0.00 0.00 66.41 65.73 1pg5 h THR 294 Cb 0.97 1.68 -0.02 0.00 -1.74 0.00 0.00 68.15 69.04 1pg5 h THR 294 CO 0.09 0.38 -0.75 0.11 0.37 0.00 0.00 175.52 175.71 1pg5 h LYS 295 N 0.04 0.04 0.19 6.66 1.57 -0.73 -0.56 116.57 123.78 1pg5 h LYS 295 Ca 0.00 -0.04 -0.28 0.00 -1.87 0.00 0.00 60.65 58.47 1pg5 h LYS 295 Cb 0.68 0.01 0.02 0.00 0.08 0.00 0.00 32.23 33.02 1pg5 h LYS 295 CO 0.05 0.77 -1.27 0.82 -0.57 0.00 0.00 179.45 179.26 1pg5 h ILE 296 N 0.02 1.29 0.00 1.86 2.04 -1.11 -3.39 117.51 118.23 1pg5 h ILE 296 Ca -0.01 -2.58 -0.11 0.00 1.00 0.00 0.00 64.86 63.15 1pg5 h ILE 296 Cb 1.33 3.03 -0.02 0.00 -0.74 0.00 0.00 36.82 40.41 1pg5 h ILE 296 CO 0.10 0.77 -1.85 -1.22 0.00 0.00 0.00 178.15 175.95 1pg5 n TYR 297 N -3.88 0.00 -0.61 1.37 4.02 -0.53 -4.71 117.16 112.82 1pg5 n TYR 297 Ca -0.18 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 57.78 1pg5 n TYR 297 Cb 0.97 -0.52 0.17 0.00 -0.02 0.00 0.00 39.34 39.95 1pg5 n TYR 297 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1pg5 n GLY 298 N 1.80 3.61 0.00 2.72 0.00 -0.22 -5.01 105.19 108.09 1pg5 n GLY 298 Ca -0.12 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.20 1pg5 n GLY 298 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50