#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kts s GLU 2 N 0.00 2.45 0.29 3.23 2.02 -1.26 -5.00 118.70 120.43 3kts s GLU 2 Ca 0.00 1.07 -0.29 0.00 0.02 0.00 0.00 54.97 55.77 3kts s GLU 2 Cb 0.00 -1.93 -0.10 0.00 0.10 0.00 0.00 34.13 32.21 3kts s GLU 2 CO 0.00 -1.48 1.28 -0.51 0.02 0.00 0.00 175.26 174.57 3kts s LEU 3 N -5.80 4.44 0.54 1.80 1.43 -1.26 -4.91 118.68 114.92 3kts s LEU 3 Ca 0.60 2.56 0.23 0.00 -1.03 0.00 0.00 54.13 56.48 3kts s LEU 3 Cb -0.16 -3.64 1.23 0.00 0.03 0.00 0.00 46.19 43.65 3kts s LEU 3 CO 0.56 -0.48 1.66 1.55 0.23 0.00 0.00 176.35 179.86 3kts h PRO 4 N 3.99 0.00 -2.70 1.29 0.13 -2.03 -2.76 132.00 129.92 3kts h PRO 4 Ca -0.47 0.00 -0.78 0.00 -0.87 0.00 0.00 66.00 63.87 3kts h PRO 4 Cb 1.22 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.13 3kts h PRO 4 CO 0.69 0.00 1.47 1.97 -0.23 0.00 0.00 178.00 181.90 3kts n PHE 5 N -2.56 2.61 -3.20 1.56 1.16 -1.26 -4.96 117.46 110.80 3kts n PHE 5 Ca -0.02 -2.66 -0.38 0.00 -1.87 0.00 0.00 57.45 52.52 3kts n PHE 5 Cb 0.38 -1.49 -0.06 0.00 -1.61 0.00 0.00 39.48 36.70 3kts n PHE 5 CO 0.00 0.00 0.00 -1.12 -1.87 0.00 0.00 176.76 173.77 3kts s SER 6 N -0.70 7.10 -1.74 5.98 0.01 -1.04 -4.07 113.70 119.23 3kts s SER 6 Ca 0.41 1.34 0.00 0.00 1.31 0.00 0.00 55.95 59.01 3kts s SER 6 Cb 0.14 -2.39 0.00 0.00 0.21 0.00 0.00 66.02 63.98 3kts s SER 6 CO -0.04 0.22 0.00 0.59 0.41 0.00 0.00 173.24 174.42 3kts n ASN 7 N 1.48 -5.05 -3.99 2.44 5.03 -1.26 -4.98 115.26 108.93 3kts n ASN 7 Ca -0.08 0.25 -0.31 0.00 0.87 0.00 0.00 54.58 55.31 3kts n ASN 7 Cb 0.50 -4.37 -0.15 0.00 -1.02 0.00 0.00 39.78 34.75 3kts n ASN 7 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.26 173.85 3kts s GLN 8 N -4.31 1.82 -0.11 3.52 0.74 -1.26 -5.02 119.66 115.05 3kts s GLN 8 Ca 0.00 -1.22 -0.10 0.00 0.05 0.00 0.00 55.36 54.09 3kts s GLN 8 Cb 0.00 -2.75 -0.27 0.00 1.10 0.00 0.00 33.01 31.10 3kts s GLN 8 CO 0.00 -0.63 0.44 0.77 -0.55 0.00 0.00 175.29 175.32 3kts h SER 9 N 7.85 0.43 -3.50 6.67 0.02 -1.90 -3.43 113.55 119.69 3kts h SER 9 Ca -0.17 -0.91 -0.62 0.00 -0.84 0.00 0.00 61.79 59.25 3kts h SER 9 Cb 1.05 -0.14 -0.15 0.00 0.14 0.00 0.00 62.40 63.30 3kts h SER 9 CO 0.44 1.79 -0.52 -0.63 -1.14 0.00 0.00 176.83 176.77 3kts s ILE 10 N -2.54 5.19 -0.39 3.27 1.09 -1.26 0.20 121.20 126.76 3kts s ILE 10 Ca -0.21 0.12 -0.03 0.00 -1.10 0.00 0.00 60.65 59.43 3kts s ILE 10 Cb 0.06 -3.40 0.10 0.00 -1.06 0.00 0.00 42.46 38.16 3kts s ILE 10 CO 0.77 0.38 0.18 -0.63 -0.10 0.00 0.00 174.94 175.54 3kts s ILE 11 N 0.89 3.27 0.49 2.92 1.01 0.95 -4.94 121.20 125.79 3kts s ILE 11 Ca 0.07 -1.95 -0.24 0.00 0.00 0.00 0.00 60.65 58.53 3kts s ILE 11 Cb -0.13 -3.19 -0.07 0.00 0.01 0.00 0.00 42.46 39.08 3kts s ILE 11 CO 0.03 -0.61 1.40 -0.81 0.00 0.00 0.00 174.94 174.95 3kts n PRO 12 N 4.60 2.04 -4.05 2.79 -0.04 -1.26 -2.76 135.00 136.32 3kts n PRO 12 Ca -0.04 0.73 -0.33 0.00 -0.04 0.00 0.00 63.50 63.83 3kts n PRO 12 Cb 0.42 -2.61 -0.15 0.00 -0.04 0.00 0.00 33.50 31.12 3kts n PRO 12 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kts s ALA 13 N -1.23 2.54 -0.16 0.55 0.00 0.36 -0.18 121.76 123.63 3kts s ALA 13 Ca 0.65 -1.57 -0.20 0.00 0.00 0.00 0.00 51.96 50.85 3kts s ALA 13 Cb -0.44 -1.52 -0.03 0.00 0.00 0.00 0.00 23.12 21.13 3kts s ALA 13 CO 0.54 -0.91 0.57 0.00 0.00 0.00 0.00 175.76 175.96 3kts s ALA 14 N 1.20 3.50 -0.08 0.00 0.00 0.15 -4.29 121.76 122.24 3kts s ALA 14 Ca -0.03 -0.24 0.14 0.00 0.00 0.00 0.00 51.96 51.83 3kts s ALA 14 Cb -0.17 -2.84 -0.21 0.00 0.00 0.00 0.00 23.12 19.90 3kts s ALA 14 CO -0.07 -0.32 0.66 0.72 0.00 0.00 0.00 175.76 176.75 3kts n HIS 15 N 4.46 0.91 -4.13 0.00 8.25 -1.26 -0.97 115.22 122.48 3kts n HIS 15 Ca -0.04 0.32 -0.26 0.00 -0.26 0.00 0.00 57.72 57.49 3kts n HIS 15 Cb 0.51 -1.14 -0.06 0.00 1.12 0.00 0.00 29.99 30.41 3kts n HIS 15 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 3kts s ASN 16 N -5.94 4.45 0.13 0.41 0.01 -1.26 -4.43 114.94 108.30 3kts s ASN 16 Ca -0.05 -1.15 -0.06 0.00 -0.71 0.00 0.00 52.86 50.89 3kts s ASN 16 Cb 0.08 -0.25 -0.08 0.00 0.41 0.00 0.00 41.25 41.40 3kts s ASN 16 CO 0.82 -0.66 1.32 -0.61 -1.51 0.00 0.00 177.10 176.47 3kts h GLN 17 N 1.30 0.51 0.00 -0.60 -0.00 -1.95 -3.28 115.11 111.10 3kts h GLN 17 Ca -0.42 -0.49 -0.07 0.00 -0.00 0.00 0.00 58.65 57.67 3kts h GLN 17 Cb 1.27 0.12 -0.01 0.00 0.00 0.00 0.00 27.48 28.86 3kts h GLN 17 CO 0.68 1.13 -0.33 0.87 0.00 0.00 0.00 178.83 181.17 3kts h LYS 18 N 0.32 0.00 -0.02 1.69 1.57 -2.00 -2.92 116.57 115.21 3kts h LYS 18 Ca -0.07 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.60 3kts h LYS 18 Cb 1.49 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.79 3kts h LYS 18 CO 0.16 0.33 -0.51 -0.44 -0.57 0.00 0.00 179.45 178.42 3kts h ASP 19 N 0.00 0.04 1.33 0.86 3.32 -1.95 -2.75 116.42 117.27 3kts h ASP 19 Ca -0.00 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 56.94 3kts h ASP 19 Cb 0.75 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.28 3kts h ASP 19 CO 0.04 0.55 -0.40 0.00 -1.72 0.00 0.00 179.24 177.71 3kts h MET 20 N 0.03 0.00 -0.38 3.56 -0.00 -1.58 -2.63 114.93 113.93 3kts h MET 20 Ca -0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 59.70 59.58 3kts h MET 20 Cb 0.92 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.51 3kts h MET 20 CO 0.07 0.40 -0.22 0.93 -0.00 0.00 0.00 176.91 178.08 3kts h GLU 21 N 0.00 0.83 -0.66 -0.10 3.07 -1.47 -1.88 114.58 114.37 3kts h GLU 21 Ca -0.00 -0.38 0.03 0.00 -0.50 0.00 0.00 59.36 58.51 3kts h GLU 21 Cb 1.17 -0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 29.02 3kts h GLU 21 CO 0.05 1.01 0.40 0.87 -1.40 0.00 0.00 179.01 179.95 3kts h LYS 22 N 0.63 0.76 -0.00 2.33 1.79 -1.39 -2.82 116.57 117.86 3kts h LYS 22 Ca 0.08 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 3kts h LYS 22 Cb 0.79 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.27 3kts h LYS 22 CO 0.06 0.50 -0.17 0.44 -1.08 0.00 0.00 179.45 179.21 3kts n ILE 23 N -4.71 0.00 0.48 1.86 -5.35 -1.00 -3.39 119.36 107.25 3kts n ILE 23 Ca 0.07 -0.08 0.13 0.00 -0.27 0.00 0.00 62.75 62.60 3kts n ILE 23 Cb 0.10 0.06 0.41 0.00 -1.74 0.00 0.00 39.64 38.47 3kts n ILE 23 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 3kts h LEU 24 N 0.73 0.00 -3.79 7.28 5.85 -1.07 -3.06 115.31 121.26 3kts h LEU 24 Ca 0.00 0.00 -0.38 0.00 0.84 0.00 0.00 57.88 58.34 3kts h LEU 24 Cb 0.41 0.00 -0.23 0.00 0.37 0.00 0.00 40.66 41.22 3kts h LEU 24 CO 0.00 0.00 0.48 -0.62 -0.34 0.00 0.00 178.44 177.96 3kts n GLU 25 N -2.46 2.75 -4.33 1.25 1.02 -1.22 -4.97 120.64 112.68 3kts n GLU 25 Ca 0.04 -2.87 -0.23 0.00 -0.02 0.00 0.00 57.16 54.08 3kts n GLU 25 Cb 0.39 -2.14 -0.12 0.00 -0.02 0.00 0.00 31.44 29.56 3kts n GLU 25 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3kts s LEU 26 N -3.00 2.40 0.37 -4.62 1.02 -1.16 -5.04 118.68 108.65 3kts s LEU 26 Ca 0.53 -0.81 0.27 0.00 0.02 0.00 0.00 54.13 54.14 3kts s LEU 26 Cb 0.44 -0.89 0.87 0.00 0.02 0.00 0.00 46.19 46.63 3kts s LEU 26 CO 0.11 0.01 1.77 -0.78 0.02 0.00 0.00 176.35 177.49 3kts h ASP 27 N 3.48 0.00 -3.09 2.29 3.58 -1.93 -3.44 116.42 117.30 3kts h ASP 27 Ca -0.44 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 56.48 3kts h ASP 27 Cb 1.20 0.00 0.02 0.00 1.72 0.00 0.00 39.33 42.27 3kts h ASP 27 CO 0.47 0.00 0.68 -0.76 -2.88 0.00 0.00 179.24 176.75 3kts s LEU 28 N -5.40 4.38 -0.10 2.28 1.43 -1.26 -4.97 118.68 115.04 3kts s LEU 28 Ca 0.06 2.27 -0.20 0.00 -1.03 0.00 0.00 54.13 55.23 3kts s LEU 28 Cb 0.09 -3.59 -0.28 0.00 0.03 0.00 0.00 46.19 42.44 3kts s LEU 28 CO 0.56 -0.60 0.68 0.00 0.23 0.00 0.00 176.35 177.22 3kts h THR 29 N 4.23 1.29 -3.31 5.49 1.03 -1.90 -3.46 112.91 116.29 3kts h THR 29 Ca -0.42 -2.43 -0.57 0.00 -0.01 0.00 0.00 66.41 62.98 3kts h THR 29 Cb 1.21 2.94 -0.05 0.00 -1.07 0.00 0.00 68.15 71.18 3kts h THR 29 CO 0.84 0.67 -0.00 -0.31 -0.01 0.00 0.00 175.52 176.70 3kts s TYR 30 N -2.42 3.71 0.23 0.00 1.51 -1.26 -1.05 117.35 118.07 3kts s TYR 30 Ca -0.18 1.23 0.07 0.00 -1.01 0.00 0.00 57.07 57.18 3kts s TYR 30 Cb 0.02 -2.61 -0.05 0.00 -0.11 0.00 0.00 41.96 39.21 3kts s TYR 30 CO 0.77 0.38 -0.11 0.00 -1.11 0.00 0.00 175.55 175.48 3kts s MET 31 N -0.32 1.41 -0.08 -0.62 0.23 0.04 -4.15 119.30 115.80 3kts s MET 31 Ca 0.31 -1.66 0.05 0.00 -1.03 0.00 0.00 55.69 53.36 3kts s MET 31 Cb -0.19 -1.12 -0.00 0.00 -1.53 0.00 0.00 34.83 31.99 3kts s MET 31 CO 0.18 0.13 -0.23 0.08 -2.03 0.00 0.00 175.02 173.14 3kts s VAL 32 N -3.00 1.97 -0.27 5.16 1.01 0.74 -0.73 120.40 125.28 3kts s VAL 32 Ca 0.25 -0.99 -0.05 0.00 0.00 0.00 0.00 61.98 61.20 3kts s VAL 32 Cb 0.01 -1.69 0.01 0.00 0.00 0.00 0.00 36.38 34.71 3kts s VAL 32 CO 0.09 0.54 0.02 -0.32 0.00 0.00 0.00 175.10 175.43 3kts s MET 33 N 0.18 3.08 0.00 2.72 1.75 -0.22 0.33 119.30 127.14 3kts s MET 33 Ca -0.13 -0.84 0.00 0.00 -1.25 0.00 0.00 55.69 53.47 3kts s MET 33 Cb -0.16 -3.19 0.00 0.00 2.84 0.00 0.00 34.83 34.32 3kts s MET 33 CO 0.07 -0.38 0.00 1.28 -0.65 0.00 0.00 175.02 175.34 3kts n LEU 34 N 4.79 0.26 -4.73 4.11 4.77 -0.14 -2.07 117.00 123.99 3kts n LEU 34 Ca -0.16 0.15 -0.35 0.00 -0.03 0.00 0.00 56.01 55.62 3kts n LEU 34 Cb 0.48 -0.39 -0.08 0.00 -2.33 0.00 0.00 43.42 41.10 3kts n LEU 34 CO 0.29 -0.39 -0.23 -0.70 -1.33 0.00 0.00 177.39 175.04 3kts s GLU 35 N -0.77 3.65 0.25 3.23 2.12 -1.26 -4.47 118.70 121.44 3kts s GLU 35 Ca 0.00 -0.28 -0.01 0.00 0.36 0.00 0.00 54.97 55.04 3kts s GLU 35 Cb 0.00 -3.15 -0.03 0.00 0.26 0.00 0.00 34.13 31.21 3kts s GLU 35 CO 0.00 0.51 0.24 0.95 -0.54 0.00 0.00 175.26 176.42 3kts s THR 36 N -0.29 0.00 -0.08 -1.70 -4.23 -0.87 -4.76 115.64 103.71 3kts s THR 36 Ca 0.09 -1.88 0.03 0.00 -1.18 0.00 0.00 61.69 58.76 3kts s THR 36 Cb -0.12 -2.47 0.01 0.00 1.34 0.00 0.00 72.50 71.26 3kts s THR 36 CO 0.01 0.00 -0.19 -1.00 -0.54 0.00 0.00 174.62 172.91 3kts s HIS 37 N -3.90 2.07 0.58 3.99 0.09 -1.26 -1.46 115.29 115.40 3kts s HIS 37 Ca 0.36 -0.82 0.28 0.00 -0.00 0.00 0.00 55.06 54.88 3kts s HIS 37 Cb 0.04 -1.42 1.67 0.00 -0.00 0.00 0.00 32.58 32.87 3kts s HIS 37 CO 0.15 -0.36 2.16 -0.24 -0.00 0.00 0.00 174.74 176.45 3kts h VAL 38 N 5.83 0.56 -0.14 -0.90 3.04 -1.64 -1.64 116.25 121.35 3kts h VAL 38 Ca -0.24 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 65.40 3kts h VAL 38 Cb 1.22 0.91 -0.00 0.00 -2.01 0.00 0.00 31.29 31.40 3kts h VAL 38 CO 0.47 0.00 -0.09 0.00 -1.01 0.00 0.00 177.57 176.95 3kts h ALA 39 N 1.87 0.20 -0.13 3.17 0.00 -1.96 -3.22 119.26 119.20 3kts h ALA 39 Ca 0.05 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3kts h ALA 39 Cb 0.29 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3kts h ALA 39 CO -0.00 0.02 0.00 1.04 0.00 0.00 0.00 179.25 180.31 3kts n GLN 40 N -4.63 1.85 0.21 0.00 6.02 -0.87 -4.68 117.38 115.28 3kts n GLN 40 Ca -0.06 -1.26 -0.15 0.00 -0.01 0.00 0.00 57.00 55.52 3kts n GLN 40 Cb 0.31 -1.44 -0.08 0.00 1.02 0.00 0.00 30.24 30.05 3kts n GLN 40 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 3kts h LEU 41 N 2.73 -0.41 -0.92 1.08 5.85 -1.33 -2.56 115.31 119.75 3kts h LEU 41 Ca 0.00 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.71 3kts h LEU 41 Cb 0.59 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.67 3kts h LEU 41 CO 0.00 -0.21 0.59 0.50 -0.34 0.00 0.00 178.44 178.98 3kts h LYS 42 N -0.59 1.10 -0.11 1.25 3.64 -1.83 -2.22 116.57 117.80 3kts h LYS 42 Ca -0.05 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 3kts h LYS 42 Cb 0.44 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 3kts h LYS 42 CO 0.08 0.72 0.04 0.00 -2.27 0.00 0.00 179.45 178.02 3kts h ALA 43 N 1.39 0.15 -0.22 5.00 0.00 -1.89 -2.21 119.26 121.48 3kts h ALA 43 Ca 0.37 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 3kts h ALA 43 Cb 0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3kts h ALA 43 CO -0.13 -0.25 0.06 -0.07 0.00 0.00 0.00 179.25 178.86 3kts h LEU 44 N 0.00 0.27 -0.02 0.00 3.38 -1.09 0.27 115.31 118.13 3kts h LEU 44 Ca 0.04 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 3kts h LEU 44 Cb 0.20 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 40.89 3kts h LEU 44 CO -0.00 0.28 -0.42 0.58 0.09 0.00 0.00 178.44 178.96 3kts h VAL 45 N 0.31 1.47 -0.10 1.22 2.07 -1.38 -2.81 116.25 117.04 3kts h VAL 45 Ca 0.08 -1.96 -0.10 0.00 0.82 0.00 0.00 66.70 65.53 3kts h VAL 45 Cb 0.11 2.60 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 3kts h VAL 45 CO -0.01 0.56 -0.41 0.11 0.02 0.00 0.00 177.57 177.85 3kts h LYS 46 N -0.25 0.21 -0.02 1.57 1.79 -1.00 -0.36 116.57 118.50 3kts h LYS 46 Ca -0.05 -0.10 -0.13 0.00 -2.18 0.00 0.00 60.65 58.19 3kts h LYS 46 Cb 1.14 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.77 3kts h LYS 46 CO 0.08 0.59 -0.59 -0.92 -1.08 0.00 0.00 179.45 177.53 3kts h TYR 47 N 0.18 0.10 0.08 -1.35 3.20 -0.56 -0.45 116.97 118.17 3kts h TYR 47 Ca 0.02 -0.04 -0.25 0.00 3.14 0.00 0.00 58.73 61.60 3kts h TYR 47 Cb 0.80 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.05 3kts h TYR 47 CO 0.01 0.65 -1.12 0.00 -1.64 0.00 0.00 178.16 176.07 3kts h ALA 48 N 1.34 0.22 0.00 1.82 0.00 -1.20 -3.18 119.26 118.26 3kts h ALA 48 Ca -0.01 -0.83 -0.04 0.00 0.00 0.00 0.00 54.91 54.03 3kts h ALA 48 Cb 1.06 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3kts h ALA 48 CO 0.08 0.95 -0.21 1.96 0.00 0.00 0.00 179.25 182.03 3kts h GLN 49 N 0.11 0.00 0.00 0.00 4.20 -1.00 -2.41 115.11 116.01 3kts h GLN 49 Ca -0.10 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.54 3kts h GLN 49 Cb 1.82 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.59 3kts h GLN 49 CO 0.18 0.21 -0.30 0.00 -0.67 0.00 0.00 178.83 178.25 3kts h ALA 50 N 1.79 1.07 -0.44 3.87 0.00 -1.07 -3.03 119.26 121.46 3kts h ALA 50 Ca -0.00 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 3kts h ALA 50 Cb 0.90 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 3kts h ALA 50 CO 0.03 0.37 0.06 0.41 0.00 0.00 0.00 179.25 180.12 3kts n GLY 51 N 0.02 2.69 2.36 0.00 0.00 -1.10 -4.90 105.19 104.27 3kts n GLY 51 Ca -0.00 -0.66 -0.07 0.00 0.00 0.00 0.00 46.02 45.29 3kts n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kts n GLY 52 N 0.29 0.88 3.64 -0.02 0.00 -1.14 -5.00 105.19 103.84 3kts n GLY 52 Ca 0.22 -0.38 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 3kts n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kts s LYS 53 N -2.27 3.98 -0.01 1.61 -0.14 -0.93 -4.89 119.74 117.10 3kts s LYS 53 Ca 0.00 -0.34 -0.20 0.00 -1.36 0.00 0.00 55.97 54.07 3kts s LYS 53 Cb 0.00 -3.23 -0.05 0.00 -1.68 0.00 0.00 37.83 32.87 3kts s LYS 53 CO 0.00 0.27 0.58 0.15 -0.76 0.00 0.00 175.35 175.58 3kts s LYS 54 N 0.38 4.29 -0.20 1.68 1.02 -0.21 -3.49 119.74 123.22 3kts s LYS 54 Ca 0.03 0.70 -0.06 0.00 0.02 0.00 0.00 55.97 56.66 3kts s LYS 54 Cb -0.12 -3.34 -0.03 0.00 -0.52 0.00 0.00 37.83 33.82 3kts s LYS 54 CO 0.00 0.39 0.03 0.08 -0.92 0.00 0.00 175.35 174.93 3kts s VAL 55 N -0.24 4.36 -0.34 3.17 1.01 -1.26 -0.78 120.40 126.32 3kts s VAL 55 Ca 0.30 -0.18 -0.12 0.00 0.00 0.00 0.00 61.98 61.99 3kts s VAL 55 Cb -0.18 -2.97 -0.00 0.00 0.00 0.00 0.00 36.38 33.22 3kts s VAL 55 CO 0.17 0.43 0.21 -0.76 0.00 0.00 0.00 175.10 175.15 3kts s LEU 56 N 0.76 4.47 -0.20 3.92 1.43 0.09 -0.29 118.68 128.86 3kts s LEU 56 Ca 0.02 -0.59 -0.06 0.00 -1.03 0.00 0.00 54.13 52.46 3kts s LEU 56 Cb -0.14 -2.08 -0.03 0.00 0.03 0.00 0.00 46.19 43.97 3kts s LEU 56 CO 0.02 -0.27 0.04 -0.22 0.23 0.00 0.00 176.35 176.16 3kts s LEU 57 N 1.66 3.55 -0.54 1.79 2.96 -0.36 -1.06 118.68 126.68 3kts s LEU 57 Ca 0.05 -0.07 -0.27 0.00 -0.22 0.00 0.00 54.13 53.62 3kts s LEU 57 Cb -0.18 -1.91 -0.02 0.00 0.50 0.00 0.00 46.19 44.59 3kts s LEU 57 CO 0.08 0.10 1.79 -1.00 -1.32 0.00 0.00 176.35 176.00 3kts s HIS 58 N 0.79 1.78 0.45 5.38 3.76 -0.88 -0.60 115.29 125.97 3kts s HIS 58 Ca 0.02 0.72 0.15 0.00 -0.15 0.00 0.00 55.06 55.80 3kts s HIS 58 Cb -0.14 -4.14 1.05 0.00 1.11 0.00 0.00 32.58 30.47 3kts s HIS 58 CO 0.02 -2.40 2.01 0.00 -0.85 0.00 0.00 174.74 173.52 3kts h ALA 59 N 13.99 1.68 0.00 -1.40 0.00 -1.20 -2.70 119.26 129.63 3kts h ALA 59 Ca -0.28 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3kts h ALA 59 Cb 1.15 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3kts h ALA 59 CO 1.17 0.21 -0.08 -0.44 0.00 0.00 0.00 179.25 180.12 3kts h ASP 60 N 0.00 0.00 -0.45 0.00 3.45 -1.89 -3.34 116.42 114.19 3kts h ASP 60 Ca -0.00 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3kts h ASP 60 Cb 0.31 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.08 3kts h ASP 60 CO 0.02 0.00 0.00 0.18 -1.57 0.00 0.00 179.24 177.87 3kts n LEU 61 N -3.04 4.96 -4.42 1.55 4.77 -1.02 -4.88 117.00 114.93 3kts n LEU 61 Ca 0.04 -2.94 -0.44 0.00 -0.03 0.00 0.00 56.01 52.64 3kts n LEU 61 Cb 0.53 -0.62 -0.04 0.00 -2.33 0.00 0.00 43.42 40.96 3kts n LEU 61 CO 0.34 0.66 0.67 -0.69 -1.33 0.00 0.00 177.39 177.04 3kts s VAL 62 N -2.74 4.64 0.08 4.08 1.01 -1.24 -2.05 120.40 124.19 3kts s VAL 62 Ca 0.49 -0.95 -0.34 0.00 0.00 0.00 0.00 61.98 61.19 3kts s VAL 62 Cb 0.38 -4.63 -0.13 0.00 0.00 0.00 0.00 36.38 32.00 3kts s VAL 62 CO 0.14 -1.34 1.65 0.59 0.00 0.00 0.00 175.10 176.14 3kts n ASN 63 N 6.81 3.11 0.00 3.32 3.02 -0.53 -1.63 115.26 129.35 3kts n ASN 63 Ca 0.01 1.05 0.00 0.00 -0.03 0.00 0.00 54.58 55.62 3kts n ASN 63 Cb 0.45 -1.40 0.00 0.00 -0.61 0.00 0.00 39.78 38.23 3kts n ASN 63 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kts n GLY 64 N 3.65 1.20 3.19 7.41 0.00 -1.26 -1.73 105.19 117.65 3kts n GLY 64 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 3kts n GLY 64 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kts s LEU 65 N 0.00 2.00 0.00 0.99 2.96 -0.65 -4.99 118.68 118.99 3kts s LEU 65 Ca 0.00 -0.48 -0.16 0.00 -0.22 0.00 0.00 54.13 53.27 3kts s LEU 65 Cb 0.00 -1.26 0.23 0.00 0.50 0.00 0.00 46.19 45.66 3kts s LEU 65 CO 0.00 0.16 0.84 0.29 -1.32 0.00 0.00 176.35 176.32 3kts n LYS 66 N 3.38 -2.55 -0.63 1.98 5.02 -1.26 -4.65 118.16 119.45 3kts n LYS 66 Ca -0.19 -1.34 0.01 0.00 -2.02 0.00 0.00 58.31 54.77 3kts n LYS 66 Cb 0.53 -1.23 0.21 0.00 -0.02 0.00 0.00 35.03 34.51 3kts n LYS 66 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3kts n ASN 67 N -4.38 2.60 -4.29 4.39 0.23 -1.26 -4.80 115.26 107.75 3kts n ASN 67 Ca 0.12 -3.58 -0.34 0.00 -0.53 0.00 0.00 54.58 50.25 3kts n ASN 67 Cb 0.45 -0.58 0.11 0.00 -2.08 0.00 0.00 39.78 37.67 3kts n ASN 67 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3kts n ASP 68 N -1.04 -3.01 -0.26 0.53 10.43 -1.26 -4.66 116.55 117.27 3kts n ASP 68 Ca 0.27 0.22 0.00 0.00 2.57 0.00 0.00 54.79 57.86 3kts n ASP 68 Cb 0.91 -1.05 0.13 0.00 1.84 0.00 0.00 41.12 42.95 3kts n ASP 68 CO 0.00 0.00 0.00 0.44 -1.07 0.00 0.00 177.20 176.57 3kts h ASP 69 N -1.49 0.62 -0.59 -2.24 3.32 -1.97 -0.91 116.42 113.17 3kts h ASP 69 Ca -0.45 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 56.62 3kts h ASP 69 Cb 1.30 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.73 3kts h ASP 69 CO 0.32 0.39 0.31 1.88 -1.72 0.00 0.00 179.24 180.41 3kts h TYR 70 N 0.75 0.84 -0.14 4.55 -1.99 -1.99 0.77 116.97 119.76 3kts h TYR 70 Ca 0.34 -0.02 -0.14 0.00 2.00 0.00 0.00 58.73 60.91 3kts h TYR 70 Cb 0.25 -0.27 -0.01 0.00 2.00 0.00 0.00 36.73 38.70 3kts h TYR 70 CO -0.07 0.60 -0.51 0.00 -0.00 0.00 0.00 178.16 178.18 3kts h ALA 71 N 1.49 0.85 -0.05 3.88 0.00 -1.73 -2.09 119.26 121.60 3kts h ALA 71 Ca 0.22 -0.49 -0.25 0.00 0.00 0.00 0.00 54.91 54.38 3kts h ALA 71 Cb 0.06 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.78 3kts h ALA 71 CO -0.03 0.67 -0.96 0.82 0.00 0.00 0.00 179.25 179.75 3kts h ILE 72 N 0.31 1.28 -0.64 0.00 1.08 -0.60 -2.46 117.51 116.49 3kts h ILE 72 Ca 0.01 -2.17 0.13 0.00 -0.39 0.00 0.00 64.86 62.45 3kts h ILE 72 Cb 1.01 2.25 -0.10 0.00 -3.07 0.00 0.00 36.82 36.91 3kts h ILE 72 CO 0.09 0.67 0.06 0.44 -0.69 0.00 0.00 178.15 178.72 3kts h ASP 73 N 0.44 -0.17 -0.81 1.72 3.32 -0.83 -0.86 116.42 119.21 3kts h ASP 73 Ca -0.10 0.15 0.01 0.00 0.02 0.00 0.00 57.03 57.10 3kts h ASP 73 Cb 1.60 0.24 -0.04 0.00 0.22 0.00 0.00 39.33 41.35 3kts h ASP 73 CO 0.19 -0.08 0.54 0.15 -1.72 0.00 0.00 179.24 178.32 3kts h PHE 74 N 0.17 1.02 -0.24 4.55 3.04 -1.27 0.17 116.94 124.37 3kts h PHE 74 Ca 0.34 0.02 -0.10 0.00 3.98 0.00 0.00 57.97 62.21 3kts h PHE 74 Cb 0.55 -0.34 -0.01 0.00 2.56 0.00 0.00 35.95 38.71 3kts h PHE 74 CO -0.33 0.63 -0.29 -0.07 -2.02 0.00 0.00 178.31 176.23 3kts h LEU 75 N 1.09 0.48 0.12 0.59 3.38 -0.86 -0.68 115.31 119.43 3kts h LEU 75 Ca 0.30 -0.18 -0.32 0.00 0.09 0.00 0.00 57.88 57.78 3kts h LEU 75 Cb -0.10 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3kts h LEU 75 CO -0.07 0.76 -1.63 0.00 0.09 0.00 0.00 178.44 177.58 3kts n THR 77 N -3.44 1.59 0.02 0.00 -2.24 0.02 -4.40 114.28 105.84 3kts n THR 77 Ca -0.19 -0.75 0.02 0.00 -2.27 0.00 0.00 64.05 60.86 3kts n THR 77 Cb 1.05 -1.14 -0.03 0.00 -2.10 0.00 0.00 70.33 68.11 3kts n THR 77 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kts n GLU 78 N -3.12 0.79 -0.11 -0.78 1.02 -0.32 -4.80 120.64 113.32 3kts n GLU 78 Ca -0.28 -0.03 -0.22 0.00 -0.02 0.00 0.00 57.16 56.62 3kts n GLU 78 Cb 1.07 -1.03 -0.09 0.00 -0.02 0.00 0.00 31.44 31.37 3kts n GLU 78 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3kts n ILE 79 N -1.56 1.26 -3.20 -3.67 -0.00 -0.82 -4.94 119.36 106.43 3kts n ILE 79 Ca -0.00 -0.37 -0.05 0.00 -0.00 0.00 0.00 62.75 62.33 3kts n ILE 79 Cb 0.09 -1.64 0.00 0.00 -0.00 0.00 0.00 39.64 38.08 3kts n ILE 79 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3kts n PRO 81 N -1.94 -1.52 0.06 0.00 -0.04 -1.26 -4.96 135.00 125.34 3kts n PRO 81 Ca -0.06 -1.37 0.12 0.00 -0.04 0.00 0.00 63.50 62.14 3kts n PRO 81 Cb 0.54 -1.04 0.20 0.00 -0.04 0.00 0.00 33.50 33.16 3kts n PRO 81 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3kts n ASP 82 N -3.87 0.68 -3.48 3.54 8.00 0.60 -4.93 116.55 117.09 3kts n ASP 82 Ca 0.11 0.14 -0.10 0.00 0.71 0.00 0.00 54.79 55.65 3kts n ASP 82 Cb 0.41 0.08 -0.02 0.00 -0.02 0.00 0.00 41.12 41.57 3kts n ASP 82 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3kts s GLY 83 N -3.60 -0.51 0.12 0.44 0.00 -0.58 -4.16 107.32 99.04 3kts s GLY 83 Ca 0.07 0.93 0.10 0.00 0.00 0.00 0.00 44.72 45.81 3kts s GLY 83 CO 0.71 0.35 -0.25 -0.26 0.00 0.00 0.00 173.10 173.65 3kts s ILE 84 N -3.11 2.09 -0.13 0.90 -4.36 0.04 -1.23 121.20 115.40 3kts s ILE 84 Ca 0.03 -1.66 0.02 0.00 -0.26 0.00 0.00 60.65 58.77 3kts s ILE 84 Cb -0.01 -1.85 0.01 0.00 1.25 0.00 0.00 42.46 41.86 3kts s ILE 84 CO -0.09 0.07 -0.19 -0.63 0.24 0.00 0.00 174.94 174.34 3kts s ILE 85 N -1.07 1.84 0.05 8.37 1.01 0.23 -1.59 121.20 130.04 3kts s ILE 85 Ca 0.12 -0.84 -0.01 0.00 0.00 0.00 0.00 60.65 59.92 3kts s ILE 85 Cb -0.10 -1.65 -0.04 0.00 0.01 0.00 0.00 42.46 40.68 3kts s ILE 85 CO 0.05 0.51 -0.03 -0.55 0.00 0.00 0.00 174.94 174.92 3kts s SER 86 N 0.94 0.49 -0.02 3.58 0.15 -1.07 -0.59 113.70 117.17 3kts s SER 86 Ca -0.06 -0.96 0.21 0.00 0.70 0.00 0.00 55.95 55.85 3kts s SER 86 Cb -0.15 0.19 -0.31 0.00 -1.71 0.00 0.00 66.02 64.04 3kts s SER 86 CO -0.03 -0.57 0.58 1.07 1.20 0.00 0.00 173.24 175.49 3kts n THR 87 N 0.23 0.00 -2.78 6.45 5.66 -1.26 -1.12 114.28 121.46 3kts n THR 87 Ca -0.15 -0.37 -0.41 0.00 -3.05 0.00 0.00 64.05 60.08 3kts n THR 87 Cb 0.60 0.26 -0.05 0.00 -1.55 0.00 0.00 70.33 69.60 3kts n THR 87 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 3kts s ARG 88 N -3.36 4.71 0.13 1.09 3.52 -1.26 -4.81 118.95 118.97 3kts s ARG 88 Ca -0.04 1.40 -0.11 0.00 -0.13 0.00 0.00 55.73 56.85 3kts s ARG 88 Cb 0.14 -3.34 -0.08 0.00 -1.56 0.00 0.00 34.95 30.11 3kts s ARG 88 CO 0.88 0.33 1.39 0.78 -0.81 0.00 0.00 175.30 177.88 3kts h GLY 89 N 5.11 0.91 1.89 8.12 0.00 -1.96 -3.19 103.07 113.95 3kts h GLY 89 Ca -0.44 -1.12 -0.00 0.00 0.00 0.00 0.00 47.33 45.77 3kts h GLY 89 CO 0.70 1.00 0.05 3.43 0.00 0.00 0.00 176.54 181.72 3kts h ASN 90 N 0.62 0.13 0.34 0.19 4.21 -1.95 -1.47 115.58 117.64 3kts h ASN 90 Ca -0.00 -0.01 -0.18 0.00 1.21 0.00 0.00 56.30 57.32 3kts h ASN 90 Cb 1.22 -0.03 -0.01 0.00 -1.12 0.00 0.00 38.32 38.38 3kts h ASN 90 CO 0.13 0.11 -0.75 0.00 -1.29 0.00 0.00 177.43 175.64 3kts h ALA 91 N 1.91 0.61 -0.42 -0.83 0.00 -1.82 -1.65 119.26 117.06 3kts h ALA 91 Ca 0.04 -0.62 -0.14 0.00 0.00 0.00 0.00 54.91 54.19 3kts h ALA 91 Cb 0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3kts h ALA 91 CO -0.01 0.79 -0.29 0.82 0.00 0.00 0.00 179.25 180.56 3kts h ILE 92 N 0.23 1.27 -0.32 0.00 1.08 -1.34 -1.21 117.51 117.22 3kts h ILE 92 Ca -0.03 -1.45 -0.02 0.00 -0.39 0.00 0.00 64.86 62.97 3kts h ILE 92 Cb 1.32 1.25 -0.01 0.00 -3.07 0.00 0.00 36.82 36.30 3kts h ILE 92 CO 0.12 0.49 0.12 0.24 -0.69 0.00 0.00 178.15 178.44 3kts h MET 93 N 0.78 0.48 -0.45 2.37 2.86 -1.26 -2.57 114.93 117.14 3kts h MET 93 Ca 0.09 -0.09 -0.06 0.00 -2.06 0.00 0.00 59.70 57.57 3kts h MET 93 Cb 0.86 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.42 3kts h MET 93 CO 0.08 0.50 0.04 -0.22 1.06 0.00 0.00 176.91 178.36 3kts h LYS 94 N 0.37 0.78 -0.52 1.72 1.63 -1.23 -2.89 116.57 116.43 3kts h LYS 94 Ca 0.11 -0.23 -0.04 0.00 -0.85 0.00 0.00 60.65 59.64 3kts h LYS 94 Cb 0.20 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.72 3kts h LYS 94 CO -0.01 0.82 0.17 0.00 -3.45 0.00 0.00 179.45 176.98 3kts h ALA 95 N 0.93 1.32 0.00 5.00 0.00 -1.21 -1.74 119.26 123.56 3kts h ALA 95 Ca 0.13 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3kts h ALA 95 Cb 0.44 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3kts h ALA 95 CO 0.02 0.50 -0.20 0.87 0.00 0.00 0.00 179.25 180.43 3kts h LYS 96 N 0.76 0.00 -0.23 0.00 1.57 -1.31 0.36 116.57 117.72 3kts h LYS 96 Ca 0.18 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.83 3kts h LYS 96 Cb 0.21 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 3kts h LYS 96 CO -0.01 0.20 -0.38 1.96 -0.57 0.00 0.00 179.45 180.66 3kts h GLN 97 N 0.00 0.51 -0.44 3.15 4.20 -1.11 -2.85 115.11 118.57 3kts h GLN 97 Ca -0.00 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 58.46 3kts h GLN 97 Cb 0.41 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.19 3kts h GLN 97 CO 0.03 0.81 0.00 0.72 -0.67 0.00 0.00 178.83 179.72 3kts n HIS 98 N -4.04 0.57 -3.82 2.96 8.25 -0.89 -4.91 115.22 113.34 3kts n HIS 98 Ca -0.01 -0.25 -0.27 0.00 -0.26 0.00 0.00 57.72 56.92 3kts n HIS 98 Cb 0.49 -0.06 0.03 0.00 1.12 0.00 0.00 29.99 31.57 3kts n HIS 98 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3kts n LYS 99 N 0.46 -5.58 -3.78 -0.41 5.02 -1.02 -4.99 118.16 107.86 3kts n LYS 99 Ca 0.12 0.63 -0.31 0.00 -2.02 0.00 0.00 58.31 56.73 3kts n LYS 99 Cb 0.37 -5.44 -0.04 0.00 -0.02 0.00 0.00 35.03 29.90 3kts n LYS 99 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3kts s MET 100 N -6.40 3.53 -0.60 1.97 -1.94 0.07 -5.01 119.30 110.91 3kts s MET 100 Ca 0.46 -0.27 -0.27 0.00 -1.71 0.00 0.00 55.69 53.90 3kts s MET 100 Cb -0.23 -2.92 -0.01 0.00 2.01 0.00 0.00 34.83 33.67 3kts s MET 100 CO 0.82 0.52 1.77 -1.17 -0.01 0.00 0.00 175.02 176.94 3kts s LEU 101 N -2.70 3.30 -0.43 -0.03 0.20 -1.26 -4.33 118.68 113.43 3kts s LEU 101 Ca 0.38 0.33 -0.16 0.00 0.69 0.00 0.00 54.13 55.36 3kts s LEU 101 Cb -0.12 -2.64 0.03 0.00 -0.43 0.00 0.00 46.19 43.03 3kts s LEU 101 CO 0.27 -2.23 0.41 0.00 -0.29 0.00 0.00 176.35 174.50 3kts s ALA 102 N 8.39 3.46 -0.18 5.97 0.00 -1.26 -0.78 121.76 137.36 3kts s ALA 102 Ca 0.64 -1.68 -0.06 0.00 0.00 0.00 0.00 51.96 50.86 3kts s ALA 102 Cb -0.13 -3.03 -0.04 0.00 0.00 0.00 0.00 23.12 19.93 3kts s ALA 102 CO 0.21 -1.60 0.03 -1.50 0.00 0.00 0.00 175.76 172.90 3kts s ILE 103 N 1.97 4.49 -0.20 0.00 2.07 -0.62 -1.02 121.20 127.89 3kts s ILE 103 Ca 0.09 -0.14 -0.12 0.00 -1.41 0.00 0.00 60.65 59.07 3kts s ILE 103 Cb -0.19 -3.01 -0.05 0.00 0.13 0.00 0.00 42.46 39.34 3kts s ILE 103 CO 0.11 0.46 0.24 -1.58 -1.91 0.00 0.00 174.94 172.27 3kts s GLN 104 N 0.42 4.16 -0.09 3.50 0.74 -0.01 -2.59 119.66 125.80 3kts s GLN 104 Ca 0.01 -0.06 -0.22 0.00 0.05 0.00 0.00 55.36 55.14 3kts s GLN 104 Cb -0.13 -3.49 -0.04 0.00 1.10 0.00 0.00 33.01 30.45 3kts s GLN 104 CO 0.01 0.12 0.62 0.50 -0.55 0.00 0.00 175.29 176.00 3kts s ARG 105 N 0.85 4.40 -0.03 1.67 3.52 -0.28 -0.97 118.95 128.12 3kts s ARG 105 Ca 0.12 0.73 0.05 0.00 -0.13 0.00 0.00 55.73 56.50 3kts s ARG 105 Cb -0.13 -3.45 -0.01 0.00 -1.56 0.00 0.00 34.95 29.81 3kts s ARG 105 CO 0.04 0.09 -0.17 -1.17 -0.81 0.00 0.00 175.30 173.28 3kts s LEU 106 N 0.76 1.96 -0.38 -0.88 2.96 0.23 -4.59 118.68 118.73 3kts s LEU 106 Ca 0.34 -0.33 -0.09 0.00 -0.22 0.00 0.00 54.13 53.83 3kts s LEU 106 Cb -0.17 -0.92 0.05 0.00 0.50 0.00 0.00 46.19 45.65 3kts s LEU 106 CO 0.15 0.17 0.19 -0.36 -1.32 0.00 0.00 176.35 175.19 3kts s PHE 107 N -0.13 3.28 -1.14 5.38 0.08 -1.26 -1.53 117.98 122.66 3kts s PHE 107 Ca 0.00 -1.32 -0.24 0.00 0.12 0.00 0.00 56.93 55.50 3kts s PHE 107 Cb -0.09 -2.57 -0.13 0.00 -0.57 0.00 0.00 43.02 39.66 3kts s PHE 107 CO 0.01 -0.75 1.97 -1.33 -0.10 0.00 0.00 175.22 175.02 3kts n MET 108 N 4.91 1.27 -0.07 0.44 2.81 0.14 -4.61 117.12 122.00 3kts n MET 108 Ca -0.11 -2.28 -0.07 0.00 -1.81 0.00 0.00 57.70 53.43 3kts n MET 108 Cb 0.44 -3.73 -0.02 0.00 -0.71 0.00 0.00 33.22 29.20 3kts n MET 108 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 3kts n ILE 109 N 8.00 1.29 -4.01 2.02 5.41 -1.26 -4.67 119.36 126.14 3kts n ILE 109 Ca 0.44 0.20 -0.09 0.00 1.00 0.00 0.00 62.75 64.31 3kts n ILE 109 Cb 0.46 -2.26 -0.03 0.00 -0.71 0.00 0.00 39.64 37.11 3kts n ILE 109 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 3kts n ASP 110 N -4.25 -0.47 0.20 4.38 5.68 -1.26 -5.03 116.55 115.80 3kts n ASP 110 Ca -0.10 -2.01 0.04 0.00 -0.50 0.00 0.00 54.79 52.21 3kts n ASP 110 Cb 0.39 0.98 0.41 0.00 -1.14 0.00 0.00 41.12 41.75 3kts n ASP 110 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3kts h SER 111 N 0.98 0.00 -0.28 -1.12 4.64 -1.99 -2.22 113.55 113.55 3kts h SER 111 Ca -0.12 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.03 3kts h SER 111 Cb 0.58 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.67 3kts h SER 111 CO 0.17 0.31 -0.48 -1.28 -0.87 0.00 0.00 176.83 174.69 3kts h SER 112 N 0.00 0.91 -0.72 4.97 0.87 -1.99 -1.49 113.55 116.09 3kts h SER 112 Ca -0.00 -0.52 -0.07 0.00 -1.23 0.00 0.00 61.79 59.97 3kts h SER 112 Cb 0.56 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 62.23 3kts h SER 112 CO 0.04 1.26 0.19 0.00 -0.53 0.00 0.00 176.83 177.79 3kts h ALA 113 N 0.68 0.95 0.81 6.23 0.00 -1.87 -1.29 119.26 124.77 3kts h ALA 113 Ca 0.02 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 3kts h ALA 113 Cb 1.08 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 3kts h ALA 113 CO 0.11 0.67 -0.46 -0.92 0.00 0.00 0.00 179.25 178.65 3kts h TYR 114 N 1.09 -1.22 -0.68 0.00 3.20 -1.34 -1.62 116.97 116.40 3kts h TYR 114 Ca 0.23 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.11 3kts h TYR 114 Cb 0.36 0.43 -0.04 0.00 1.54 0.00 0.00 36.73 39.01 3kts h TYR 114 CO 0.03 -0.71 0.42 -0.91 -1.64 0.00 0.00 178.16 175.36 3kts h ASN 115 N -1.18 0.69 0.25 -2.11 2.35 -1.13 0.27 115.58 114.73 3kts h ASN 115 Ca -0.11 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.48 3kts h ASN 115 Cb 0.93 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 39.15 3kts h ASN 115 CO 0.13 0.48 -0.65 0.11 -1.65 0.00 0.00 177.43 175.85 3kts h LYS 116 N 0.83 0.37 -0.18 0.81 1.57 -1.33 -2.84 116.57 115.80 3kts h LYS 116 Ca 0.27 -0.27 -0.20 0.00 -1.87 0.00 0.00 60.65 58.58 3kts h LYS 116 Cb 0.02 0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.39 3kts h LYS 116 CO -0.11 0.90 -0.67 0.78 -0.57 0.00 0.00 179.45 179.78 3kts h GLY 117 N 1.32 0.85 1.74 3.86 0.00 -0.45 -1.49 103.07 108.89 3kts h GLY 117 Ca -0.01 -1.14 -0.10 0.00 0.00 0.00 0.00 47.33 46.08 3kts h GLY 117 CO 0.11 1.02 -0.34 -0.39 0.00 0.00 0.00 176.54 176.94 3kts h VAL 118 N 0.50 1.28 -0.36 4.60 -1.51 -0.57 -0.98 116.25 119.22 3kts h VAL 118 Ca -0.03 -1.37 -0.10 0.00 -1.23 0.00 0.00 66.70 63.97 3kts h VAL 118 Cb 1.29 1.55 -0.02 0.00 -2.13 0.00 0.00 31.29 31.99 3kts h VAL 118 CO 0.14 0.42 -0.20 0.00 -1.23 0.00 0.00 177.57 176.70 3kts h ALA 119 N 1.39 0.99 -0.20 5.19 0.00 -1.41 -1.14 119.26 124.09 3kts h ALA 119 Ca 0.03 -0.34 -0.15 0.00 0.00 0.00 0.00 54.91 54.45 3kts h ALA 119 Cb 0.73 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3kts h ALA 119 CO 0.06 0.60 -0.47 1.25 0.00 0.00 0.00 179.25 180.68 3kts h LEU 120 N 0.60 0.75 -0.72 0.00 5.85 -0.93 -2.17 115.31 118.69 3kts h LEU 120 Ca 0.09 -0.57 0.06 0.00 0.84 0.00 0.00 57.88 58.30 3kts h LEU 120 Cb 0.67 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.42 3kts h LEU 120 CO 0.05 1.18 0.42 0.40 -0.34 0.00 0.00 178.44 180.15 3kts h ILE 121 N 0.36 1.00 -0.83 4.05 2.04 -1.13 -0.67 117.51 122.33 3kts h ILE 121 Ca -0.00 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 3kts h ILE 121 Cb 1.08 0.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.27 3kts h ILE 121 CO 0.10 0.14 0.49 -0.61 0.00 0.00 0.00 178.15 178.27 3kts h GLN 122 N 0.78 1.14 0.15 2.37 5.75 -1.11 -1.62 115.11 122.57 3kts h GLN 122 Ca 0.32 -0.11 -0.01 0.00 -0.15 0.00 0.00 58.65 58.69 3kts h GLN 122 Cb 0.16 -0.23 0.00 0.00 1.07 0.00 0.00 27.48 28.48 3kts h GLN 122 CO -0.17 0.82 -0.07 -0.22 -2.65 0.00 0.00 178.83 176.54 3kts h LYS 123 N 1.15 -0.19 0.00 1.69 3.64 -0.88 -3.37 116.57 118.62 3kts h LYS 123 Ca 0.30 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 3kts h LYS 123 Cb -0.02 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3kts h LYS 123 CO -0.05 0.25 -0.71 1.33 -2.27 0.00 0.00 179.45 178.00 3kts n VAL 124 N -4.94 0.24 -3.42 2.00 0.24 -0.30 -5.00 118.33 107.15 3kts n VAL 124 Ca -0.08 -0.22 -0.13 0.00 -2.04 0.00 0.00 64.34 61.87 3kts n VAL 124 Cb 0.27 0.03 0.00 0.00 -1.47 0.00 0.00 33.84 32.66 3kts n VAL 124 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kts n GLN 125 N -1.96 -1.46 -1.72 7.34 1.13 -0.61 -4.71 117.38 115.38 3kts n GLN 125 Ca 0.03 1.15 -0.32 0.00 -1.94 0.00 0.00 57.00 55.92 3kts n GLN 125 Cb 0.42 -4.00 0.04 0.00 0.11 0.00 0.00 30.24 26.81 3kts n GLN 125 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 3kts s PRO 126 N -3.93 2.96 0.44 -1.09 0.04 -1.26 -4.91 135.00 127.25 3kts s PRO 126 Ca 0.01 1.13 0.21 0.00 0.04 0.00 0.00 61.00 62.38 3kts s PRO 126 Cb -0.00 -1.99 1.04 0.00 0.04 0.00 0.00 34.50 33.59 3kts s PRO 126 CO 0.82 -1.09 1.92 -0.44 0.04 0.00 0.00 177.00 178.25 3kts h ASP 127 N -0.27 0.00 -5.02 6.66 3.32 -1.44 -3.46 116.42 116.21 3kts h ASP 127 Ca -0.45 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.58 3kts h ASP 127 Cb 1.22 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.66 3kts h ASP 127 CO 0.56 0.25 0.14 0.00 -1.72 0.00 0.00 179.24 178.47 3kts s ILE 129 N -3.80 0.80 -0.23 0.00 -4.36 -0.68 -0.83 121.20 112.10 3kts s ILE 129 Ca 0.04 -0.26 -0.17 0.00 -0.26 0.00 0.00 60.65 59.99 3kts s ILE 129 Cb -0.01 -0.79 -0.03 0.00 1.25 0.00 0.00 42.46 42.88 3kts s ILE 129 CO -0.09 0.29 0.47 -0.70 0.24 0.00 0.00 174.94 175.15 3kts s GLU 130 N 0.93 4.12 -0.15 0.37 2.12 -0.14 0.23 118.70 126.19 3kts s GLU 130 Ca -0.10 0.29 -0.07 0.00 0.36 0.00 0.00 54.97 55.44 3kts s GLU 130 Cb -0.15 -3.60 -0.04 0.00 0.26 0.00 0.00 34.13 30.61 3kts s GLU 130 CO 0.01 -0.20 0.09 -0.51 -0.54 0.00 0.00 175.26 174.11 3kts s LEU 131 N 1.83 4.06 -0.01 2.70 1.02 0.78 -0.60 118.68 128.46 3kts s LEU 131 Ca 0.21 0.25 0.04 0.00 0.02 0.00 0.00 54.13 54.65 3kts s LEU 131 Cb -0.15 -2.01 -0.01 0.00 0.02 0.00 0.00 46.19 44.04 3kts s LEU 131 CO 0.09 0.28 -0.13 -0.76 0.02 0.00 0.00 176.35 175.86 3kts s LEU 132 N -0.29 2.01 0.76 1.79 1.02 -0.58 -0.65 118.68 122.74 3kts s LEU 132 Ca 0.10 -0.24 -0.11 0.00 0.02 0.00 0.00 54.13 53.89 3kts s LEU 132 Cb -0.12 -0.68 0.05 0.00 0.02 0.00 0.00 46.19 45.46 3kts s LEU 132 CO 0.01 0.16 1.09 -2.16 0.02 0.00 0.00 176.35 175.47 3kts s PRO 133 N -0.27 2.40 -0.04 1.29 0.04 -1.26 0.26 135.00 137.42 3kts s PRO 133 Ca 0.04 0.60 0.12 0.00 0.04 0.00 0.00 61.00 61.81 3kts s PRO 133 Cb -0.05 -1.96 0.44 0.00 0.04 0.00 0.00 34.50 32.97 3kts s PRO 133 CO -0.00 -1.39 1.32 0.41 0.04 0.00 0.00 177.00 177.38 3kts n GLY 134 N -2.39 1.53 1.09 0.56 0.00 0.93 -4.07 105.19 102.85 3kts n GLY 134 Ca 0.07 -0.52 0.08 0.00 0.00 0.00 0.00 46.02 45.65 3kts n GLY 134 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3kts n ILE 135 N 0.71 2.23 -3.82 -0.61 -5.35 -1.25 -4.73 119.36 106.54 3kts n ILE 135 Ca 0.16 -1.68 -0.32 0.00 -0.27 0.00 0.00 62.75 60.64 3kts n ILE 135 Cb 0.52 -0.17 -0.11 0.00 -1.74 0.00 0.00 39.64 38.15 3kts n ILE 135 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3kts s ILE 136 N -2.59 3.26 0.37 7.28 1.01 -1.26 -4.97 121.20 124.30 3kts s ILE 136 Ca 0.43 -3.52 0.10 0.00 0.00 0.00 0.00 60.65 57.66 3kts s ILE 136 Cb 0.33 -3.14 0.12 0.00 0.01 0.00 0.00 42.46 39.78 3kts s ILE 136 CO 0.12 -0.91 1.86 -0.65 0.00 0.00 0.00 174.94 175.35 3kts h PRO 137 N 6.33 0.19 0.00 2.79 0.11 -1.91 -2.69 132.00 136.82 3kts h PRO 137 Ca 0.03 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 65.98 3kts h PRO 137 Cb 0.87 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.94 3kts h PRO 137 CO 0.73 0.42 -0.45 0.93 -0.21 0.00 0.00 178.00 179.41 3kts h GLU 138 N 0.18 0.00 -0.00 1.05 5.08 -1.94 -1.48 114.58 117.47 3kts h GLU 138 Ca 0.03 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.20 3kts h GLU 138 Cb 0.51 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 3kts h GLU 138 CO 0.03 0.45 -0.84 1.96 -1.00 0.00 0.00 179.01 179.62 3kts h GLN 139 N 0.00 0.17 -0.30 2.33 1.08 -1.92 -1.63 115.11 114.84 3kts h GLN 139 Ca -0.00 -0.18 -0.14 0.00 -1.45 0.00 0.00 58.65 56.88 3kts h GLN 139 Cb 1.01 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.48 3kts h GLN 139 CO 0.06 0.91 -0.37 0.28 -0.95 0.00 0.00 178.83 178.76 3kts h VAL 140 N 0.10 1.29 0.25 -0.54 2.07 -1.33 -2.07 116.25 116.02 3kts h VAL 140 Ca -0.04 -1.53 -0.01 0.00 0.82 0.00 0.00 66.70 65.94 3kts h VAL 140 Cb 1.45 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.68 3kts h VAL 140 CO 0.13 0.49 -0.12 -0.61 0.02 0.00 0.00 177.57 177.48 3kts h GLN 141 N 0.57 -0.32 -0.92 1.57 4.15 -1.21 -2.11 115.11 116.83 3kts h GLN 141 Ca 0.05 0.02 0.11 0.00 0.77 0.00 0.00 58.65 59.61 3kts h GLN 141 Cb 0.89 0.07 -0.08 0.00 0.21 0.00 0.00 27.48 28.58 3kts h GLN 141 CO 0.08 -0.12 0.56 0.87 -1.93 0.00 0.00 178.83 178.29 3kts h LYS 142 N -0.47 0.86 -0.20 1.69 1.57 -1.28 -2.74 116.57 116.01 3kts h LYS 142 Ca -0.03 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.54 3kts h LYS 142 Cb 0.35 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3kts h LYS 142 CO 0.06 0.57 -0.47 0.52 -0.57 0.00 0.00 179.45 179.56 3kts h MET 143 N 0.89 0.67 -0.19 3.15 2.86 -1.30 -3.20 114.93 117.82 3kts h MET 143 Ca 0.46 -0.45 -0.07 0.00 -2.06 0.00 0.00 59.70 57.57 3kts h MET 143 Cb 0.45 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 3kts h MET 143 CO -0.27 1.07 -0.20 1.79 1.06 0.00 0.00 176.91 180.37 3kts h THR 144 N 0.37 1.23 -0.14 2.22 1.35 -1.17 -2.35 112.91 114.42 3kts h THR 144 Ca -0.00 -1.06 0.00 0.00 -0.55 0.00 0.00 66.41 64.80 3kts h THR 144 Cb 1.08 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 3kts h THR 144 CO 0.10 0.33 0.00 0.00 -0.25 0.00 0.00 175.52 175.70 3kts n GLN 145 N -4.18 1.48 -0.10 4.72 6.02 -1.05 -3.03 117.38 121.24 3kts n GLN 145 Ca -0.00 -0.57 -0.13 0.00 -0.01 0.00 0.00 57.00 56.29 3kts n GLN 145 Cb 0.34 -1.27 -0.05 0.00 1.02 0.00 0.00 30.24 30.28 3kts n GLN 145 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3kts n LYS 146 N -0.01 0.53 -0.03 -1.09 4.76 -0.88 -4.85 118.16 116.59 3kts n LYS 146 Ca 0.05 0.30 -0.04 0.00 -2.87 0.00 0.00 58.31 55.76 3kts n LYS 146 Cb 0.22 -1.51 -0.04 0.00 -1.84 0.00 0.00 35.03 31.86 3kts n LYS 146 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3kts n LEU 147 N -4.45 1.40 -3.23 -0.35 4.32 -1.26 -5.04 117.00 108.40 3kts n LEU 147 Ca -0.21 -0.02 -0.12 0.00 -0.02 0.00 0.00 56.01 55.64 3kts n LEU 147 Cb 0.55 -0.04 0.01 0.00 -1.62 0.00 0.00 43.42 42.31 3kts n LEU 147 CO 0.16 0.36 0.08 1.57 -1.22 0.00 0.00 177.39 178.33 3kts n HIS 148 N -2.44 -2.87 -3.89 -1.77 -0.00 -1.17 -5.08 115.22 98.00 3kts n HIS 148 Ca -0.11 1.14 -0.32 0.00 0.46 0.00 0.00 57.72 58.89 3kts n HIS 148 Cb 0.66 -3.54 -0.04 0.00 -0.12 0.00 0.00 29.99 26.94 3kts n HIS 148 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 3kts s ILE 149 N -2.73 5.39 0.36 3.57 1.01 -1.26 -5.13 121.20 122.41 3kts s ILE 149 Ca 0.10 -0.25 -0.28 0.00 0.00 0.00 0.00 60.65 60.22 3kts s ILE 149 Cb -0.02 -3.59 -0.11 0.00 0.01 0.00 0.00 42.46 38.75 3kts s ILE 149 CO 0.80 0.22 1.45 -2.16 0.00 0.00 0.00 174.94 175.25 3kts s PRO 150 N -2.26 4.17 -0.07 2.79 0.04 -1.26 -4.87 135.00 133.54 3kts s PRO 150 Ca 0.32 2.48 0.05 0.00 0.04 0.00 0.00 61.00 63.89 3kts s PRO 150 Cb -0.13 -3.00 -0.01 0.00 0.04 0.00 0.00 34.50 31.40 3kts s PRO 150 CO 0.24 -0.45 -0.23 0.14 0.04 0.00 0.00 177.00 176.73 3kts s VAL 151 N -1.01 2.17 0.16 -0.36 -7.23 -1.26 -1.69 120.40 111.17 3kts s VAL 151 Ca 0.53 -1.01 -0.09 0.00 -1.81 0.00 0.00 61.98 59.59 3kts s VAL 151 Cb -0.45 -1.81 -0.06 0.00 0.56 0.00 0.00 36.38 34.62 3kts s VAL 151 CO 0.59 0.57 0.47 -0.63 -0.31 0.00 0.00 175.10 175.79 3kts s ILE 152 N -0.02 5.01 0.04 -0.62 -1.09 0.14 -1.09 121.20 123.56 3kts s ILE 152 Ca -0.07 0.43 0.06 0.00 -2.23 0.00 0.00 60.65 58.84 3kts s ILE 152 Cb -0.15 -3.65 -0.03 0.00 -1.58 0.00 0.00 42.46 37.05 3kts s ILE 152 CO 0.05 0.10 -0.16 0.00 -1.23 0.00 0.00 174.94 173.70 3kts s ALA 153 N -1.61 2.67 0.13 9.38 0.00 -0.93 -0.16 121.76 131.24 3kts s ALA 153 Ca 0.41 -1.17 -0.15 0.00 0.00 0.00 0.00 51.96 51.05 3kts s ALA 153 Cb -0.13 -0.81 0.03 0.00 0.00 0.00 0.00 23.12 22.22 3kts s ALA 153 CO 0.21 0.58 0.38 0.20 0.00 0.00 0.00 175.76 177.13 3kts s GLY 154 N -1.46 -0.21 0.00 0.00 0.00 0.18 -0.83 107.32 105.00 3kts s GLY 154 Ca 0.15 -0.14 0.00 0.00 0.00 0.00 0.00 44.72 44.73 3kts s GLY 154 CO 0.06 -0.37 0.00 0.61 0.00 0.00 0.00 173.10 173.40 3kts n GLY 155 N -0.21 0.92 2.51 0.20 0.00 -1.24 -0.05 105.19 107.32 3kts n GLY 155 Ca -0.15 -1.19 -0.05 0.00 0.00 0.00 0.00 46.02 44.62 3kts n GLY 155 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kts n LEU 156 N -0.01 -0.03 -4.59 0.99 4.77 -1.26 -0.45 117.00 116.41 3kts n LEU 156 Ca 0.00 0.13 -0.43 0.00 -0.03 0.00 0.00 56.01 55.69 3kts n LEU 156 Cb 0.00 -1.81 -0.02 0.00 -2.33 0.00 0.00 43.42 39.25 3kts n LEU 156 CO 0.00 -0.63 1.05 -0.63 -1.33 0.00 0.00 177.39 175.85 3kts s ILE 157 N -1.84 4.12 -0.18 -0.08 1.09 -1.26 -4.83 121.20 118.22 3kts s ILE 157 Ca 0.00 1.07 0.01 0.00 -1.10 0.00 0.00 60.65 60.63 3kts s ILE 157 Cb 0.00 -4.66 -0.22 0.00 -1.06 0.00 0.00 42.46 36.52 3kts s ILE 157 CO 0.00 -1.17 0.13 -0.62 -0.10 0.00 0.00 174.94 173.19 3kts n GLU 158 N 8.12 0.70 -4.38 2.79 1.02 -1.26 -4.68 120.64 122.94 3kts n GLU 158 Ca 0.10 0.19 -0.25 0.00 -0.02 0.00 0.00 57.16 57.19 3kts n GLU 158 Cb 0.49 -1.62 -0.09 0.00 -0.02 0.00 0.00 31.44 30.20 3kts n GLU 158 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3kts s THR 159 N -2.54 2.57 0.11 2.62 -4.23 -1.26 -4.84 115.64 108.07 3kts s THR 159 Ca -0.24 -2.03 0.20 0.00 -1.18 0.00 0.00 61.69 58.43 3kts s THR 159 Cb 0.08 -2.75 0.15 0.00 1.34 0.00 0.00 72.50 71.32 3kts s THR 159 CO 0.71 -0.21 1.72 0.28 -0.54 0.00 0.00 174.62 176.58 3kts h SER 160 N 1.87 0.00 -0.25 3.99 0.02 -1.99 -2.85 113.55 114.34 3kts h SER 160 Ca -0.43 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.55 3kts h SER 160 Cb 1.25 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.77 3kts h SER 160 CO 0.67 0.35 0.09 -0.33 -1.14 0.00 0.00 176.83 176.47 3kts h GLU 161 N 0.00 0.20 -0.61 3.45 3.07 -1.99 -1.62 114.58 117.09 3kts h GLU 161 Ca -0.00 -0.01 -0.08 0.00 -0.50 0.00 0.00 59.36 58.76 3kts h GLU 161 Cb 0.92 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.76 3kts h GLU 161 CO 0.04 0.13 0.06 1.96 -1.40 0.00 0.00 179.01 179.81 3kts h GLN 162 N 0.21 1.02 0.02 2.33 4.20 -1.94 -0.17 115.11 120.77 3kts h GLN 162 Ca 0.11 -0.28 -0.00 0.00 0.06 0.00 0.00 58.65 58.53 3kts h GLN 162 Cb 0.07 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.73 3kts h GLN 162 CO -0.10 0.96 -0.01 0.28 -0.67 0.00 0.00 178.83 179.29 3kts h VAL 163 N 0.95 1.00 -0.39 -0.54 2.07 -1.39 -2.42 116.25 115.53 3kts h VAL 163 Ca 0.18 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.66 3kts h VAL 163 Cb 0.47 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 3kts h VAL 163 CO 0.02 0.01 0.24 0.78 0.02 0.00 0.00 177.57 178.64 3kts h ASN 164 N -0.04 0.46 -0.70 0.57 2.35 -1.05 -1.91 115.58 115.26 3kts h ASN 164 Ca -0.00 -0.04 0.02 0.00 -0.55 0.00 0.00 56.30 55.72 3kts h ASN 164 Cb 0.04 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 38.25 3kts h ASN 164 CO 0.00 0.37 0.46 1.56 -1.65 0.00 0.00 177.43 178.17 3kts h GLN 165 N 0.52 0.89 0.04 0.81 4.20 -0.99 -0.49 115.11 120.08 3kts h GLN 165 Ca 0.14 -0.05 -0.22 0.00 0.06 0.00 0.00 58.65 58.58 3kts h GLN 165 Cb -0.02 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.55 3kts h GLN 165 CO -0.03 0.59 -1.01 -0.24 -0.67 0.00 0.00 178.83 177.47 3kts h VAL 166 N 0.92 1.56 -0.09 -0.54 3.04 -1.35 -2.73 116.25 117.05 3kts h VAL 166 Ca 0.27 -2.95 -0.16 0.00 -1.01 0.00 0.00 66.70 62.84 3kts h VAL 166 Cb -0.06 2.70 -0.01 0.00 -2.01 0.00 0.00 31.29 31.91 3kts h VAL 166 CO -0.07 0.86 -0.63 0.40 -1.01 0.00 0.00 177.57 177.11 3kts h ILE 167 N 0.07 1.37 0.00 3.17 2.04 -1.22 -2.57 117.51 120.37 3kts h ILE 167 Ca -0.06 -1.99 0.00 0.00 1.00 0.00 0.00 64.86 63.81 3kts h ILE 167 Cb 1.70 1.99 0.00 0.00 -0.74 0.00 0.00 36.82 39.77 3kts h ILE 167 CO 0.15 0.60 0.00 0.00 0.00 0.00 0.00 178.15 178.90 3kts n ALA 168 N -2.49 1.96 0.35 1.87 0.00 -0.20 -2.82 120.51 119.17 3kts n ALA 168 Ca -0.03 0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.56 3kts n ALA 168 Cb 0.64 -1.43 0.17 0.00 0.00 0.00 0.00 19.45 18.83 3kts n ALA 168 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3kts h SER 169 N 0.00 0.00 0.00 0.00 0.02 -1.14 -3.47 113.55 108.96 3kts h SER 169 Ca 0.00 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 3kts h SER 169 Cb 0.54 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.08 3kts h SER 169 CO 0.00 0.03 0.00 0.61 -1.14 0.00 0.00 176.83 176.33 3kts n GLY 170 N 1.22 0.12 3.75 -3.77 0.00 -1.13 -3.87 105.19 101.51 3kts n GLY 170 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3kts n GLY 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kts s ALA 171 N -0.04 3.50 0.11 4.61 0.00 -1.01 -4.57 121.76 124.36 3kts s ALA 171 Ca 0.00 1.11 0.06 0.00 0.00 0.00 0.00 51.96 53.13 3kts s ALA 171 Cb 0.00 -3.46 -0.22 0.00 0.00 0.00 0.00 23.12 19.45 3kts s ALA 171 CO 0.00 -0.50 1.26 0.97 0.00 0.00 0.00 175.76 177.48 3kts h ILE 172 N 3.48 1.68 -2.68 0.00 2.10 -1.42 -3.41 117.51 117.26 3kts h ILE 172 Ca -0.46 -3.39 0.10 0.00 1.08 0.00 0.00 64.86 62.20 3kts h ILE 172 Cb 1.22 2.85 -0.04 0.00 -1.09 0.00 0.00 36.82 39.76 3kts h ILE 172 CO 0.73 0.96 0.42 0.00 -1.08 0.00 0.00 178.15 179.18 3kts s ALA 173 N -2.70 -1.32 -0.04 0.18 0.00 -1.26 -4.80 121.76 111.81 3kts s ALA 173 Ca 0.00 -0.33 0.06 0.00 0.00 0.00 0.00 51.96 51.70 3kts s ALA 173 Cb 0.10 0.72 -0.01 0.00 0.00 0.00 0.00 23.12 23.92 3kts s ALA 173 CO 0.82 -1.03 -0.22 0.08 0.00 0.00 0.00 175.76 175.41 3kts s VAL 174 N -2.75 1.81 -0.07 0.00 1.01 0.13 -2.18 120.40 118.36 3kts s VAL 174 Ca 0.16 -0.95 -0.01 0.00 0.00 0.00 0.00 61.98 61.18 3kts s VAL 174 Cb -0.03 -1.52 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 3kts s VAL 174 CO 0.06 0.51 0.01 0.42 0.00 0.00 0.00 175.10 176.10 3kts s THR 175 N -0.28 4.34 -0.16 3.92 -4.23 -0.01 -0.03 115.64 119.18 3kts s THR 175 Ca 0.02 -0.31 -0.29 0.00 -1.18 0.00 0.00 61.69 59.93 3kts s THR 175 Cb -0.11 -2.85 0.10 0.00 1.34 0.00 0.00 72.50 70.97 3kts s THR 175 CO 0.01 0.55 0.86 0.28 -0.54 0.00 0.00 174.62 175.78 3kts s THR 176 N -0.95 0.00 -0.65 3.99 -1.32 -1.11 -3.61 115.64 111.99 3kts s THR 176 Ca 0.15 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 60.77 3kts s THR 176 Cb -0.11 -1.00 0.46 0.00 -1.51 0.00 0.00 72.50 70.33 3kts s THR 176 CO 0.05 0.00 1.38 -1.54 -2.21 0.00 0.00 174.62 172.29 3kts n SER 177 N 1.33 3.59 -4.58 8.08 3.41 -1.26 -0.49 113.62 123.70 3kts n SER 177 Ca -0.14 -2.48 -0.41 0.00 -0.26 0.00 0.00 58.87 55.58 3kts n SER 177 Cb 0.57 -0.41 -0.03 0.00 -0.26 0.00 0.00 64.21 64.08 3kts n SER 177 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3kts s ASN 178 N -1.36 5.93 0.50 4.04 3.84 -1.26 -4.89 114.94 121.74 3kts s ASN 178 Ca 0.35 0.64 0.20 0.00 0.21 0.00 0.00 52.86 54.26 3kts s ASN 178 Cb 0.24 -2.54 1.30 0.00 -0.55 0.00 0.00 41.25 39.71 3kts s ASN 178 CO 0.14 -1.80 2.09 0.50 -2.79 0.00 0.00 177.10 175.24 3kts h LYS 179 N 12.26 0.00 -0.15 0.43 3.64 -1.96 -3.11 116.57 127.68 3kts h LYS 179 Ca -0.28 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.09 3kts h LYS 179 Cb 1.13 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.94 3kts h LYS 179 CO 1.13 0.10 0.05 1.25 -2.27 0.00 0.00 179.45 179.72 3kts h HIS 180 N 0.00 0.24 -0.28 1.91 2.76 -1.95 -3.08 115.15 114.74 3kts h HIS 180 Ca -0.00 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 3kts h HIS 180 Cb 0.20 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.09 3kts h HIS 180 CO 0.00 0.34 0.00 1.47 -1.30 0.00 0.00 177.93 178.44 3kts n LEU 181 N -4.86 2.58 0.11 0.26 -0.00 -1.17 -3.65 117.00 110.27 3kts n LEU 181 Ca -0.05 -1.30 -0.04 0.00 -0.00 0.00 0.00 56.01 54.62 3kts n LEU 181 Cb 0.13 -0.45 0.07 0.00 -0.00 0.00 0.00 43.42 43.17 3kts n LEU 181 CO 0.35 0.42 0.37 -0.50 -0.00 0.00 0.00 177.39 178.03 3kts h TRP 182 N 1.80 0.06 -0.18 1.47 6.55 -1.63 -3.26 115.95 120.75 3kts h TRP 182 Ca 0.00 -0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.81 3kts h TRP 182 Cb 0.89 -0.01 0.00 0.00 -0.86 0.00 0.00 29.16 29.18 3kts h TRP 182 CO 0.38 0.78 0.00 0.39 -1.05 0.00 0.00 178.44 178.94 3kts n GLU 183 N -3.67 2.88 -0.03 0.49 1.02 -1.24 -4.79 120.64 115.29 3kts n GLU 183 Ca -0.01 -1.87 -0.19 0.00 -0.02 0.00 0.00 57.16 55.07 3kts n GLU 183 Cb 0.73 -1.19 -0.13 0.00 -0.02 0.00 0.00 31.44 30.83 3kts n GLU 183 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3kts h GLY 184 N 1.08 0.15 1.00 0.62 0.00 -1.65 -3.53 103.07 100.74 3kts h GLY 184 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3kts h GLY 184 CO 0.01 0.33 0.00 1.42 0.00 0.00 0.00 176.54 178.30