#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kts s LEU 3 N 0.00 3.27 0.05 -4.62 1.43 -1.26 -4.98 118.68 112.56 3kts s LEU 3 Ca 0.00 1.49 0.23 0.00 -1.03 0.00 0.00 54.13 54.83 3kts s LEU 3 Cb 0.00 -4.48 0.17 0.00 0.03 0.00 0.00 46.19 41.91 3kts s LEU 3 CO 0.00 -0.96 1.14 -2.65 0.23 0.00 0.00 176.35 174.11 3kts n PRO 4 N -2.65 0.21 -0.21 1.29 -0.02 -1.26 -2.16 135.00 130.20 3kts n PRO 4 Ca 0.06 0.01 0.15 0.00 -2.02 0.00 0.00 63.50 61.71 3kts n PRO 4 Cb 0.54 -1.58 0.29 0.00 -0.02 0.00 0.00 33.50 32.72 3kts n PRO 4 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3kts n PHE 5 N -1.86 0.58 -1.66 6.00 0.99 -1.26 -4.89 117.46 115.36 3kts n PHE 5 Ca 0.03 0.74 -0.46 0.00 -0.00 0.00 0.00 57.45 57.76 3kts n PHE 5 Cb 0.41 -1.08 -0.03 0.00 -1.00 0.00 0.00 39.48 37.77 3kts n PHE 5 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 3kts n SER 6 N -4.57 2.79 -3.23 4.37 7.64 -0.92 0.30 113.62 120.00 3kts n SER 6 Ca 0.20 1.12 -0.22 0.00 1.01 0.00 0.00 58.87 60.98 3kts n SER 6 Cb 0.66 -1.41 0.06 0.00 -1.01 0.00 0.00 64.21 62.51 3kts n SER 6 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3kts n ASN 7 N 2.63 -6.08 -4.02 6.43 4.13 -1.26 -5.01 115.26 112.08 3kts n ASN 7 Ca 0.14 -0.43 -0.31 0.00 1.68 0.00 0.00 54.58 55.66 3kts n ASN 7 Cb 0.30 -4.77 -0.15 0.00 -1.54 0.00 0.00 39.78 33.62 3kts n ASN 7 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 3kts s GLN 8 N -6.04 1.53 0.24 3.52 0.74 0.15 -5.03 119.66 114.78 3kts s GLN 8 Ca 0.46 -1.94 -0.06 0.00 0.05 0.00 0.00 55.36 53.88 3kts s GLN 8 Cb -0.20 -3.23 0.25 0.00 1.10 0.00 0.00 33.01 30.93 3kts s GLN 8 CO 0.57 -0.96 1.87 0.77 -0.55 0.00 0.00 175.29 177.00 3kts h SER 9 N 7.53 1.09 -3.28 6.67 0.02 -1.87 -3.41 113.55 120.30 3kts h SER 9 Ca -0.04 -0.09 -0.66 0.00 -0.84 0.00 0.00 61.79 60.15 3kts h SER 9 Cb 1.01 -0.28 -0.31 0.00 0.14 0.00 0.00 62.40 62.97 3kts h SER 9 CO 0.54 0.87 -0.77 -0.63 -1.14 0.00 0.00 176.83 175.70 3kts s ILE 10 N -5.82 2.85 -0.36 3.27 1.09 -1.26 -0.66 121.20 120.31 3kts s ILE 10 Ca -0.12 -0.69 -0.10 0.00 -1.10 0.00 0.00 60.65 58.63 3kts s ILE 10 Cb 0.17 -2.28 0.03 0.00 -1.06 0.00 0.00 42.46 39.32 3kts s ILE 10 CO 0.82 0.45 0.19 -0.63 -0.10 0.00 0.00 174.94 175.67 3kts s ILE 11 N 1.40 4.45 0.41 2.92 1.01 0.62 -4.96 121.20 127.05 3kts s ILE 11 Ca 0.05 -0.88 -0.25 0.00 0.00 0.00 0.00 60.65 59.57 3kts s ILE 11 Cb -0.14 -3.48 -0.08 0.00 0.01 0.00 0.00 42.46 38.77 3kts s ILE 11 CO -0.07 -0.21 1.19 -2.16 0.00 0.00 0.00 174.94 173.69 3kts s PRO 12 N 1.53 4.00 -0.09 2.79 0.04 -1.26 -2.19 135.00 139.83 3kts s PRO 12 Ca 0.02 1.89 0.03 0.00 0.04 0.00 0.00 61.00 62.98 3kts s PRO 12 Cb -0.19 -2.66 0.01 0.00 0.04 0.00 0.00 34.50 31.69 3kts s PRO 12 CO 0.06 -0.38 -0.20 0.00 0.04 0.00 0.00 177.00 176.52 3kts s ALA 13 N -1.40 1.89 -0.16 8.56 0.00 0.71 -0.02 121.76 131.34 3kts s ALA 13 Ca 0.58 -0.80 -0.02 0.00 0.00 0.00 0.00 51.96 51.71 3kts s ALA 13 Cb -0.32 -0.75 -0.02 0.00 0.00 0.00 0.00 23.12 22.03 3kts s ALA 13 CO 0.40 0.20 -0.07 0.00 0.00 0.00 0.00 175.76 176.29 3kts s ALA 14 N 0.50 2.83 -0.04 0.00 0.00 0.42 -4.22 121.76 121.25 3kts s ALA 14 Ca -0.16 -0.91 -0.13 0.00 0.00 0.00 0.00 51.96 50.76 3kts s ALA 14 Cb -0.17 -1.46 -0.32 0.00 0.00 0.00 0.00 23.12 21.17 3kts s ALA 14 CO 0.06 0.10 0.74 0.45 0.00 0.00 0.00 175.76 177.11 3kts h HIS 15 N 6.98 0.76 -1.66 0.00 3.86 -1.89 -1.56 115.15 121.64 3kts h HIS 15 Ca -0.31 -0.56 -0.49 0.00 -1.16 0.00 0.00 60.37 57.85 3kts h HIS 15 Cb 1.19 -0.03 -0.03 0.00 1.06 0.00 0.00 27.41 29.60 3kts h HIS 15 CO 0.53 1.65 -0.40 -0.80 0.86 0.00 0.00 177.93 179.77 3kts s ASN 16 N -7.34 5.22 0.33 2.45 0.01 -1.26 -4.25 114.94 110.10 3kts s ASN 16 Ca -0.15 -0.60 0.17 0.00 -0.71 0.00 0.00 52.86 51.57 3kts s ASN 16 Cb 0.05 -0.76 0.46 0.00 0.41 0.00 0.00 41.25 41.41 3kts s ASN 16 CO 0.87 -0.53 1.63 -0.61 -1.51 0.00 0.00 177.10 176.95 3kts h GLN 17 N 1.09 0.00 0.00 -0.60 -0.00 -1.94 -3.08 115.11 110.58 3kts h GLN 17 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.22 3kts h GLN 17 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.74 3kts h GLN 17 CO 0.57 0.45 -0.05 1.63 0.00 0.00 0.00 178.83 181.43 3kts n LYS 18 N -3.44 0.21 0.00 1.69 5.02 -1.26 -3.02 118.16 117.35 3kts n LYS 18 Ca 0.00 0.16 0.05 0.00 -2.02 0.00 0.00 58.31 56.51 3kts n LYS 18 Cb 0.60 -1.73 0.01 0.00 -0.02 0.00 0.00 35.03 33.88 3kts n LYS 18 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3kts n ASP 19 N -2.09 1.39 0.09 4.39 3.85 -1.23 -3.86 116.55 119.09 3kts n ASP 19 Ca 0.06 -1.19 0.13 0.00 -0.71 0.00 0.00 54.79 53.07 3kts n ASP 19 Cb 0.41 0.37 0.44 0.00 -1.35 0.00 0.00 41.12 40.99 3kts n ASP 19 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.20 177.34 3kts n MET 20 N -0.06 0.22 -0.08 0.11 0.00 -1.17 -2.68 117.12 113.48 3kts n MET 20 Ca 0.05 0.20 -0.12 0.00 0.00 0.00 0.00 57.70 57.83 3kts n MET 20 Cb 0.23 -1.77 -0.05 0.00 0.00 0.00 0.00 33.22 31.63 3kts n MET 20 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 3kts h GLU 21 N 0.00 0.45 -0.27 3.17 4.57 -1.66 -2.89 114.58 117.94 3kts h GLU 21 Ca 0.00 -0.18 -0.05 0.00 -1.18 0.00 0.00 59.36 57.95 3kts h GLU 21 Cb 0.68 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.23 3kts h GLU 21 CO 0.00 0.70 -0.03 0.87 -1.18 0.00 0.00 179.01 179.37 3kts h LYS 22 N 0.17 0.42 -0.34 1.92 1.79 -1.61 -2.34 116.57 116.57 3kts h LYS 22 Ca 0.05 -0.09 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 3kts h LYS 22 Cb 0.55 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 3kts h LYS 22 CO 0.03 0.47 0.00 0.44 -1.08 0.00 0.00 179.45 179.31 3kts n ILE 23 N -4.29 0.43 0.26 1.86 -5.35 -1.13 -3.43 119.36 107.71 3kts n ILE 23 Ca 0.01 -0.67 0.12 0.00 -0.27 0.00 0.00 62.75 61.94 3kts n ILE 23 Cb 0.24 0.90 0.19 0.00 -1.74 0.00 0.00 39.64 39.22 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 4.10 0.00 -3.78 7.28 5.85 -1.19 -3.24 115.31 124.33 3kts h LEU 24 Ca 0.00 -0.00 -0.42 0.00 0.84 0.00 0.00 57.88 58.30 3kts h LEU 24 Cb 0.90 0.00 -0.25 0.00 0.37 0.00 0.00 40.66 41.68 3kts h LEU 24 CO 0.00 0.00 0.53 -0.62 -0.34 0.00 0.00 178.44 178.01 3kts n GLU 25 N -2.98 2.47 -4.30 1.25 1.02 -1.22 -4.99 120.64 111.89 3kts n GLU 25 Ca 0.04 -2.78 -0.18 0.00 -0.02 0.00 0.00 57.16 54.22 3kts n GLU 25 Cb 0.52 -2.10 -0.10 0.00 -0.02 0.00 0.00 31.44 29.73 3kts n GLU 25 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3kts s LEU 26 N -2.97 2.50 0.35 -4.62 2.96 -1.23 -5.05 118.68 110.62 3kts s LEU 26 Ca 0.52 -0.95 0.19 0.00 -0.22 0.00 0.00 54.13 53.67 3kts s LEU 26 Cb 0.43 -0.60 0.41 0.00 0.50 0.00 0.00 46.19 46.93 3kts s LEU 26 CO 0.11 -0.18 1.60 -0.78 -1.32 0.00 0.00 176.35 175.79 3kts h ASP 27 N 2.93 0.00 -3.95 3.68 3.58 -1.94 -3.45 116.42 117.28 3kts h ASP 27 Ca -0.39 0.00 -0.50 0.00 0.42 0.00 0.00 57.03 56.57 3kts h ASP 27 Cb 1.21 0.00 0.04 0.00 1.72 0.00 0.00 39.33 42.29 3kts h ASP 27 CO 0.58 0.37 0.46 -0.76 -2.88 0.00 0.00 179.24 177.00 3kts s LEU 28 N -6.60 4.18 -0.11 2.28 1.43 -1.26 -5.01 118.68 113.58 3kts s LEU 28 Ca 0.03 2.20 -0.04 0.00 -1.03 0.00 0.00 54.13 55.29 3kts s LEU 28 Cb 0.09 -4.09 -0.01 0.00 0.03 0.00 0.00 46.19 42.20 3kts s LEU 28 CO 0.70 -0.59 -0.08 0.00 0.23 0.00 0.00 176.35 176.61 3kts h THR 29 N 2.27 0.00 -3.41 5.49 1.03 -1.88 -3.48 112.91 112.93 3kts h THR 29 Ca -0.48 -0.87 -0.52 0.00 -0.01 0.00 0.00 66.41 64.52 3kts h THR 29 Cb 1.23 0.00 0.02 0.00 -1.07 0.00 0.00 68.15 68.32 3kts h THR 29 CO 0.62 0.00 0.57 -0.31 -0.01 0.00 0.00 175.52 176.40 3kts s TYR 30 N -1.81 3.41 0.09 0.00 1.51 -1.26 -2.34 117.35 116.94 3kts s TYR 30 Ca -0.07 1.37 0.02 0.00 -1.01 0.00 0.00 57.07 57.38 3kts s TYR 30 Cb 0.01 -3.46 -0.04 0.00 -0.11 0.00 0.00 41.96 38.37 3kts s TYR 30 CO 0.10 -1.33 -0.07 0.00 -1.11 0.00 0.00 175.55 173.15 3kts s MET 31 N 0.02 0.77 -0.17 -0.62 0.23 -0.27 -4.15 119.30 115.11 3kts s MET 31 Ca 0.54 -1.21 -0.02 0.00 -1.03 0.00 0.00 55.69 53.98 3kts s MET 31 Cb -0.33 -0.23 -0.01 0.00 -1.53 0.00 0.00 34.83 32.73 3kts s MET 31 CO 0.35 -0.00 -0.09 0.08 -2.03 0.00 0.00 175.02 173.33 3kts s VAL 32 N -3.11 3.21 -0.21 5.16 1.01 0.97 -0.49 120.40 126.95 3kts s VAL 32 Ca 0.07 -0.58 -0.11 0.00 0.00 0.00 0.00 61.98 61.37 3kts s VAL 32 Cb 0.02 -2.40 -0.05 0.00 0.00 0.00 0.00 36.38 33.95 3kts s VAL 32 CO -0.04 0.48 0.16 -0.32 0.00 0.00 0.00 175.10 175.39 3kts s MET 33 N 0.84 4.16 0.00 2.72 1.75 -0.43 -0.44 119.30 127.91 3kts s MET 33 Ca -0.03 -0.20 0.00 0.00 -1.25 0.00 0.00 55.69 54.22 3kts s MET 33 Cb -0.15 -3.46 0.00 0.00 2.84 0.00 0.00 34.83 34.07 3kts s MET 33 CO 0.01 0.22 0.00 1.28 -0.65 0.00 0.00 175.02 175.88 3kts n LEU 34 N 3.75 0.00 -4.71 4.11 4.77 -0.59 -1.01 117.00 123.32 3kts n LEU 34 Ca -0.15 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.42 3kts n LEU 34 Cb 0.52 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.57 3kts n LEU 34 CO 0.37 0.00 0.48 -1.61 -1.33 0.00 0.00 177.39 175.30 3kts s GLU 35 N 0.23 4.46 0.12 3.23 8.01 -1.26 -4.48 118.70 129.01 3kts s GLU 35 Ca 0.00 1.02 -0.00 0.00 0.01 0.00 0.00 54.97 56.00 3kts s GLU 35 Cb 0.00 -3.46 -0.04 0.00 -4.31 0.00 0.00 34.13 26.32 3kts s GLU 35 CO 0.00 0.01 0.01 0.95 0.01 0.00 0.00 175.26 176.24 3kts s THR 36 N 0.96 0.32 -0.06 3.63 -4.23 -0.83 -4.73 115.64 110.70 3kts s THR 36 Ca 0.41 -1.90 0.01 0.00 -1.18 0.00 0.00 61.69 59.03 3kts s THR 36 Cb -0.18 -1.90 -0.03 0.00 1.34 0.00 0.00 72.50 71.73 3kts s THR 36 CO 0.20 -0.64 -0.08 -1.00 -0.54 0.00 0.00 174.62 172.56 3kts s HIS 37 N -3.88 2.89 0.44 3.99 0.09 -1.26 -0.68 115.29 116.87 3kts s HIS 37 Ca 0.19 -0.01 0.15 0.00 -0.00 0.00 0.00 55.06 55.38 3kts s HIS 37 Cb 0.07 -1.69 0.99 0.00 -0.00 0.00 0.00 32.58 31.95 3kts s HIS 37 CO -0.01 0.31 1.98 -0.24 -0.00 0.00 0.00 174.74 176.77 3kts h VAL 38 N 4.25 1.13 0.00 -0.90 3.04 -1.56 -2.00 116.25 120.21 3kts h VAL 38 Ca -0.48 -0.68 -0.07 0.00 -1.01 0.00 0.00 66.70 64.46 3kts h VAL 38 Cb 1.17 1.37 -0.01 0.00 -2.01 0.00 0.00 31.29 31.81 3kts h VAL 38 CO 0.52 0.19 -0.32 0.00 -1.01 0.00 0.00 177.57 176.95 3kts h ALA 39 N 1.80 1.09 -0.02 3.17 0.00 -1.96 -3.00 119.26 120.35 3kts h ALA 39 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3kts h ALA 39 Cb 0.35 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3kts h ALA 39 CO 0.03 0.40 -0.31 1.04 0.00 0.00 0.00 179.25 180.40 3kts n GLN 40 N -3.60 1.55 0.35 0.00 6.02 -1.01 -4.80 117.38 115.89 3kts n GLN 40 Ca -0.01 -1.06 -0.14 0.00 -0.01 0.00 0.00 57.00 55.79 3kts n GLN 40 Cb 0.44 -1.37 -0.06 0.00 1.02 0.00 0.00 30.24 30.27 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 2.46 -0.75 -0.42 1.08 5.85 -1.22 -0.93 115.31 121.39 3kts h LEU 41 Ca 0.00 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.83 3kts h LEU 41 Cb 0.68 0.19 -0.09 0.00 0.37 0.00 0.00 40.66 41.81 3kts h LEU 41 CO 0.00 -0.53 -0.28 0.50 -0.34 0.00 0.00 178.44 177.78 3kts h LYS 42 N -0.89 -0.20 -0.67 1.25 3.64 -1.87 -0.63 116.57 117.19 3kts h LYS 42 Ca -0.09 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.38 3kts h LYS 42 Cb 0.68 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.48 3kts h LYS 42 CO 0.15 -0.13 0.35 0.00 -2.27 0.00 0.00 179.45 177.54 3kts h ALA 43 N 0.91 0.90 -0.53 5.00 0.00 -1.88 -0.42 119.26 123.24 3kts h ALA 43 Ca 0.19 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 3kts h ALA 43 Cb 0.51 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3kts h ALA 43 CO -0.54 -0.01 0.05 -0.07 0.00 0.00 0.00 179.25 178.68 3kts h LEU 44 N 0.63 0.88 -0.07 0.00 3.38 -0.20 -0.81 115.31 119.11 3kts h LEU 44 Ca 0.31 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3kts h LEU 44 Cb 0.26 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3kts h LEU 44 CO -0.22 0.94 0.00 0.58 0.09 0.00 0.00 178.44 179.84 3kts h VAL 45 N 0.79 1.24 -0.92 1.22 2.07 -0.75 -2.46 116.25 117.44 3kts h VAL 45 Ca 0.16 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.93 3kts h VAL 45 Cb 0.47 1.59 -0.05 0.00 -1.52 0.00 0.00 31.29 31.78 3kts h VAL 45 CO 0.02 0.21 0.58 0.11 0.02 0.00 0.00 177.57 178.51 3kts h LYS 46 N -0.14 1.23 -0.41 1.57 1.79 -1.06 -1.63 116.57 117.92 3kts h LYS 46 Ca 0.02 -0.09 -0.06 0.00 -2.18 0.00 0.00 60.65 58.33 3kts h LYS 46 Cb 0.32 -0.27 -0.02 0.00 -1.58 0.00 0.00 32.23 30.68 3kts h LYS 46 CO 0.00 0.84 -0.01 -0.92 -1.08 0.00 0.00 179.45 178.28 3kts h TYR 47 N 1.26 0.71 0.00 -1.35 3.20 -1.10 0.48 116.97 120.17 3kts h TYR 47 Ca 0.33 -0.09 -0.21 0.00 3.14 0.00 0.00 58.73 61.91 3kts h TYR 47 Cb -0.10 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 37.97 3kts h TYR 47 CO 0.00 0.68 -0.90 0.00 -1.64 0.00 0.00 178.16 176.30 3kts h ALA 48 N 1.36 0.47 -0.20 1.82 0.00 -1.08 -2.29 119.26 119.34 3kts h ALA 48 Ca 0.13 -0.72 -0.14 0.00 0.00 0.00 0.00 54.91 54.17 3kts h ALA 48 Cb 0.41 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3kts h ALA 48 CO 0.02 0.89 -0.47 1.96 0.00 0.00 0.00 179.25 181.65 3kts h GLN 49 N 0.14 0.51 0.00 0.00 4.20 -1.06 0.29 115.11 119.19 3kts h GLN 49 Ca -0.06 -0.28 -0.04 0.00 0.06 0.00 0.00 58.65 58.33 3kts h GLN 49 Cb 1.53 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 29.32 3kts h GLN 49 CO 0.14 0.87 -0.21 0.00 -0.67 0.00 0.00 178.83 178.97 3kts h ALA 50 N 1.09 1.20 -0.19 3.87 0.00 -0.85 -0.79 119.26 123.58 3kts h ALA 50 Ca 0.02 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3kts h ALA 50 Cb 0.97 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3kts h ALA 50 CO 0.09 0.26 0.00 0.41 0.00 0.00 0.00 179.25 180.01 3kts n GLY 51 N -0.35 -0.05 2.17 0.00 0.00 -0.87 -4.91 105.19 101.18 3kts n GLY 51 Ca -0.01 -0.24 -0.07 0.00 0.00 0.00 0.00 46.02 45.70 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 0.87 0.48 3.62 -0.02 0.00 -0.30 -5.03 105.19 104.80 3kts n GLY 52 Ca 0.09 -0.66 -0.34 0.00 0.00 0.00 0.00 46.02 45.10 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 -3.51 3.57 -0.15 1.61 -0.14 0.06 -4.85 119.74 116.32 3kts s LYS 53 Ca 0.00 -0.41 -0.19 0.00 -1.36 0.00 0.00 55.97 54.02 3kts s LYS 53 Cb 0.00 -3.00 -0.04 0.00 -1.68 0.00 0.00 37.83 33.12 3kts s LYS 53 CO 0.00 0.41 0.51 0.15 -0.76 0.00 0.00 175.35 175.66 3kts s LYS 54 N -0.06 4.28 -0.21 1.68 1.02 -0.99 -3.33 119.74 122.12 3kts s LYS 54 Ca 0.04 0.46 -0.06 0.00 0.02 0.00 0.00 55.97 56.43 3kts s LYS 54 Cb -0.13 -3.50 -0.03 0.00 -0.52 0.00 0.00 37.83 33.66 3kts s LYS 54 CO 0.02 0.01 0.04 0.08 -0.92 0.00 0.00 175.35 174.57 3kts s VAL 55 N 1.11 4.28 -0.49 3.17 1.01 -1.26 -1.12 120.40 127.11 3kts s VAL 55 Ca 0.26 -0.20 -0.14 0.00 0.00 0.00 0.00 61.98 61.89 3kts s VAL 55 Cb -0.15 -2.95 0.10 0.00 0.00 0.00 0.00 36.38 33.37 3kts s VAL 55 CO 0.10 0.41 0.41 -0.76 0.00 0.00 0.00 175.10 175.26 3kts s LEU 56 N 0.98 5.76 -0.04 3.92 1.43 0.36 -0.13 118.68 130.96 3kts s LEU 56 Ca 0.03 -1.56 -0.18 0.00 -1.03 0.00 0.00 54.13 51.38 3kts s LEU 56 Cb -0.14 -2.15 -0.05 0.00 0.03 0.00 0.00 46.19 43.88 3kts s LEU 56 CO 0.02 -0.71 0.52 -0.22 0.23 0.00 0.00 176.35 176.19 3kts s LEU 57 N 1.57 4.38 -0.40 1.79 2.96 -0.41 -1.31 118.68 127.27 3kts s LEU 57 Ca 0.04 1.00 -0.28 0.00 -0.22 0.00 0.00 54.13 54.67 3kts s LEU 57 Cb -0.26 -2.77 -0.01 0.00 0.50 0.00 0.00 46.19 43.64 3kts s LEU 57 CO 0.04 0.11 1.71 -1.00 -1.32 0.00 0.00 176.35 175.90 3kts s HIS 58 N -0.09 1.93 -0.99 5.38 3.76 -0.18 -0.99 115.29 124.11 3kts s HIS 58 Ca 0.28 0.65 0.15 0.00 -0.15 0.00 0.00 55.06 55.99 3kts s HIS 58 Cb -0.17 -4.17 0.65 0.00 1.11 0.00 0.00 32.58 30.00 3kts s HIS 58 CO 0.14 -2.61 1.49 0.00 -0.85 0.00 0.00 174.74 172.91 3kts n ALA 59 N 10.31 1.69 0.67 -1.40 0.00 0.17 -3.06 120.51 128.88 3kts n ALA 59 Ca 0.21 -0.05 0.07 0.00 0.00 0.00 0.00 53.44 53.67 3kts n ALA 59 Cb 0.48 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.69 3kts n ALA 59 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3kts n ASP 60 N -1.51 1.63 -0.42 0.00 10.43 -1.26 -4.49 116.55 120.93 3kts n ASP 60 Ca 0.04 -1.31 0.09 0.00 2.57 0.00 0.00 54.79 56.17 3kts n ASP 60 Cb 0.18 0.43 0.18 0.00 1.84 0.00 0.00 41.12 43.75 3kts n ASP 60 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 3kts n LEU 61 N -0.05 2.98 -4.45 0.64 4.77 -1.17 -4.93 117.00 114.79 3kts n LEU 61 Ca 0.07 -2.99 -0.44 0.00 -0.03 0.00 0.00 56.01 52.61 3kts n LEU 61 Cb 0.33 -0.46 -0.03 0.00 -2.33 0.00 0.00 43.42 40.93 3kts n LEU 61 CO 0.18 0.69 0.94 -0.69 -1.33 0.00 0.00 177.39 177.18 3kts s VAL 62 N -2.74 4.72 -0.15 4.08 1.01 -1.26 -1.97 120.40 124.08 3kts s VAL 62 Ca 0.35 -1.49 -0.40 0.00 0.00 0.00 0.00 61.98 60.44 3kts s VAL 62 Cb 0.29 -4.76 -0.17 0.00 0.00 0.00 0.00 36.38 31.74 3kts s VAL 62 CO 0.06 -1.48 1.50 0.59 0.00 0.00 0.00 175.10 175.77 3kts n ASN 63 N 6.57 1.66 0.00 3.32 3.02 0.14 -0.82 115.26 129.16 3kts n ASN 63 Ca 0.21 1.12 0.00 0.00 -0.03 0.00 0.00 54.58 55.87 3kts n ASN 63 Cb 0.49 -1.09 0.00 0.00 -0.61 0.00 0.00 39.78 38.56 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 3.26 3.08 3.53 7.41 0.00 -1.26 -1.51 105.19 119.71 3kts n GLY 64 Ca 0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 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 2.92 0.00 0.99 2.96 -0.00 -5.03 118.68 120.52 3kts s LEU 65 Ca 0.00 -0.24 -0.03 0.00 -0.22 0.00 0.00 54.13 53.64 3kts s LEU 65 Cb 0.00 -1.68 0.04 0.00 0.50 0.00 0.00 46.19 45.05 3kts s LEU 65 CO 0.00 0.29 0.23 0.29 -1.32 0.00 0.00 176.35 175.84 3kts n LYS 66 N 1.69 -0.13 -0.65 1.98 5.02 -1.26 -4.65 118.16 120.15 3kts n LYS 66 Ca -0.16 -0.39 0.05 0.00 -2.02 0.00 0.00 58.31 55.79 3kts n LYS 66 Cb 0.52 -0.23 0.20 0.00 -0.02 0.00 0.00 35.03 35.51 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 -3.13 1.82 -4.23 4.39 0.23 -1.26 -4.80 115.26 108.28 3kts n ASN 67 Ca 0.03 -3.90 -0.34 0.00 -0.53 0.00 0.00 54.58 49.84 3kts n ASN 67 Cb 0.10 -0.52 0.11 0.00 -2.08 0.00 0.00 39.78 37.39 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 -1.10 -3.01 -0.15 0.53 10.43 -1.26 -4.69 116.55 117.30 3kts n ASP 68 Ca 0.20 0.10 -0.05 0.00 2.57 0.00 0.00 54.79 57.60 3kts n ASP 68 Cb 0.70 -0.93 0.03 0.00 1.84 0.00 0.00 41.12 42.76 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 -1.55 0.35 -0.92 -2.24 5.19 -1.98 -0.66 116.42 114.61 3kts h ASP 69 Ca -0.46 0.02 0.07 0.00 -0.62 0.00 0.00 57.03 56.04 3kts h ASP 69 Cb 1.33 -0.05 -0.06 0.00 0.18 0.00 0.00 39.33 40.73 3kts h ASP 69 CO 0.32 0.25 0.60 1.88 -3.12 0.00 0.00 179.24 179.16 3kts h TYR 70 N 0.48 1.06 -0.07 4.55 -1.99 -1.99 0.19 116.97 119.20 3kts h TYR 70 Ca 0.20 0.03 -0.15 0.00 2.00 0.00 0.00 58.73 60.80 3kts h TYR 70 Cb 0.09 -0.35 -0.01 0.00 2.00 0.00 0.00 36.73 38.46 3kts h TYR 70 CO -0.09 0.54 -0.64 0.00 -0.00 0.00 0.00 178.16 177.97 3kts h ALA 71 N 1.51 0.80 -0.04 3.88 0.00 -1.73 -2.60 119.26 121.07 3kts h ALA 71 Ca 0.40 -0.56 -0.23 0.00 0.00 0.00 0.00 54.91 54.51 3kts h ALA 71 Cb 0.23 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.95 3kts h ALA 71 CO -0.16 0.75 -0.92 0.82 0.00 0.00 0.00 179.25 179.74 3kts h ILE 72 N 0.18 1.33 -0.46 0.00 1.08 -0.64 -2.78 117.51 116.23 3kts h ILE 72 Ca -0.01 -2.24 0.09 0.00 -0.39 0.00 0.00 64.86 62.31 3kts h ILE 72 Cb 1.16 2.28 -0.08 0.00 -3.07 0.00 0.00 36.82 37.11 3kts h ILE 72 CO 0.10 0.69 -0.02 0.44 -0.69 0.00 0.00 178.15 178.66 3kts h ASP 73 N 0.36 -0.24 -0.97 1.72 3.32 -0.93 0.43 116.42 120.10 3kts h ASP 73 Ca -0.09 0.12 0.08 0.00 0.02 0.00 0.00 57.03 57.16 3kts h ASP 73 Cb 1.55 0.21 -0.07 0.00 0.22 0.00 0.00 39.33 41.24 3kts h ASP 73 CO 0.17 -0.08 0.63 0.15 -1.72 0.00 0.00 179.24 178.39 3kts h PHE 74 N 0.09 1.13 -0.08 4.55 3.04 -1.45 -0.07 116.94 124.14 3kts h PHE 74 Ca 0.23 0.03 -0.19 0.00 3.98 0.00 0.00 57.97 62.02 3kts h PHE 74 Cb 0.34 -0.37 -0.00 0.00 2.56 0.00 0.00 35.95 38.48 3kts h PHE 74 CO -0.32 0.55 -0.73 -0.07 -2.02 0.00 0.00 178.31 175.73 3kts h LEU 75 N 1.08 0.51 0.21 0.59 3.38 -0.92 -2.11 115.31 118.06 3kts h LEU 75 Ca 0.44 -0.34 -0.28 0.00 0.09 0.00 0.00 57.88 57.79 3kts h LEU 75 Cb 0.27 -0.15 0.03 0.00 0.09 0.00 0.00 40.66 40.90 3kts h LEU 75 CO -0.19 1.08 -1.25 0.00 0.09 0.00 0.00 178.44 178.17 3kts n THR 77 N -3.87 1.28 -0.04 0.00 -2.24 -0.07 -4.22 114.28 105.12 3kts n THR 77 Ca -0.17 -0.74 -0.06 0.00 -2.27 0.00 0.00 64.05 60.82 3kts n THR 77 Cb 1.00 -0.74 -0.04 0.00 -2.10 0.00 0.00 70.33 68.45 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 -2.88 0.21 0.01 -0.78 1.02 -0.84 -4.82 120.64 112.57 3kts n GLU 78 Ca -0.15 0.05 -0.22 0.00 -0.02 0.00 0.00 57.16 56.82 3kts n GLU 78 Cb 0.94 -1.16 -0.14 0.00 -0.02 0.00 0.00 31.44 31.06 3kts n GLU 78 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3kts h ILE 79 N 0.00 0.99 -5.91 -3.67 5.03 -1.43 -3.49 117.51 109.03 3kts h ILE 79 Ca -0.18 -2.40 -0.30 0.00 -0.12 0.00 0.00 64.86 61.86 3kts h ILE 79 Cb 1.28 2.69 0.08 0.00 -3.03 0.00 0.00 36.82 37.85 3kts h ILE 79 CO -0.03 0.72 -0.72 0.00 -0.68 0.00 0.00 178.15 177.44 3kts s PRO 81 N -4.81 1.40 0.00 0.00 0.04 -1.26 -4.95 135.00 125.43 3kts s PRO 81 Ca 0.31 -0.11 0.30 0.00 0.04 0.00 0.00 61.00 61.54 3kts s PRO 81 Cb -0.09 -1.91 1.39 0.00 0.04 0.00 0.00 34.50 33.94 3kts s PRO 81 CO 0.81 -1.94 1.97 -0.25 0.04 0.00 0.00 177.00 177.63 3kts n ASP 82 N -3.51 0.21 -3.62 6.66 8.00 0.82 -4.84 116.55 120.27 3kts n ASP 82 Ca 0.11 -0.36 -0.03 0.00 0.71 0.00 0.00 54.79 55.22 3kts n ASP 82 Cb 0.60 -0.18 -0.02 0.00 -0.02 0.00 0.00 41.12 41.51 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 -2.52 -0.23 0.02 0.44 0.00 -1.02 -4.27 107.32 99.75 3kts s GLY 83 Ca 0.29 1.82 0.06 0.00 0.00 0.00 0.00 44.72 46.88 3kts s GLY 83 CO 0.47 0.62 -0.15 -0.26 0.00 0.00 0.00 173.10 173.78 3kts s ILE 84 N -2.15 3.01 -0.17 0.90 -4.36 -0.47 -1.29 121.20 116.67 3kts s ILE 84 Ca 0.10 -1.03 -0.05 0.00 -0.26 0.00 0.00 60.65 59.41 3kts s ILE 84 Cb -0.01 -2.26 -0.03 0.00 1.25 0.00 0.00 42.46 41.41 3kts s ILE 84 CO -0.04 0.39 -0.01 -0.63 0.24 0.00 0.00 174.94 174.89 3kts s ILE 85 N -0.91 4.13 0.08 8.37 1.01 -0.16 -1.76 121.20 131.96 3kts s ILE 85 Ca 0.15 -0.27 -0.06 0.00 0.00 0.00 0.00 60.65 60.47 3kts s ILE 85 Cb -0.11 -2.83 -0.02 0.00 0.01 0.00 0.00 42.46 39.52 3kts s ILE 85 CO 0.05 0.48 0.12 -0.55 0.00 0.00 0.00 174.94 175.04 3kts s SER 86 N 0.43 0.24 -0.02 3.58 0.15 -0.99 -0.66 113.70 116.44 3kts s SER 86 Ca -0.02 -0.80 0.21 0.00 0.70 0.00 0.00 55.95 56.05 3kts s SER 86 Cb -0.14 0.30 -0.29 0.00 -1.71 0.00 0.00 66.02 64.18 3kts s SER 86 CO 0.02 -0.70 0.66 1.07 1.20 0.00 0.00 173.24 175.50 3kts n THR 87 N -0.02 0.00 -3.21 6.45 5.66 -1.26 0.60 114.28 122.50 3kts n THR 87 Ca -0.14 -0.28 -0.39 0.00 -3.05 0.00 0.00 64.05 60.20 3kts n THR 87 Cb 0.62 0.45 -0.05 0.00 -1.55 0.00 0.00 70.33 69.79 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 -3.28 4.36 0.11 1.09 3.52 -1.26 -4.79 118.95 118.70 3kts s ARG 88 Ca -0.01 0.63 -0.21 0.00 -0.13 0.00 0.00 55.73 56.02 3kts s ARG 88 Cb 0.15 -3.42 -0.08 0.00 -1.56 0.00 0.00 34.95 30.04 3kts s ARG 88 CO 0.89 0.17 1.75 0.78 -0.81 0.00 0.00 175.30 178.08 3kts h GLY 89 N 6.53 0.18 2.00 8.12 0.00 -1.97 -2.88 103.07 115.05 3kts h GLY 89 Ca -0.42 -0.04 -0.02 0.00 0.00 0.00 0.00 47.33 46.86 3kts h GLY 89 CO 0.74 0.03 -0.07 3.43 0.00 0.00 0.00 176.54 180.67 3kts h ASN 90 N 0.13 0.00 0.23 0.19 4.21 -1.95 -2.17 115.58 116.22 3kts h ASN 90 Ca 0.06 0.00 -0.19 0.00 1.21 0.00 0.00 56.30 57.38 3kts h ASN 90 Cb 0.02 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.22 3kts h ASN 90 CO -0.05 0.07 -0.76 0.00 -1.29 0.00 0.00 177.43 175.40 3kts h ALA 91 N 1.93 0.54 -0.25 -0.83 0.00 -1.79 -2.15 119.26 116.71 3kts h ALA 91 Ca -0.00 -0.62 -0.04 0.00 0.00 0.00 0.00 54.91 54.25 3kts h ALA 91 Cb 0.27 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3kts h ALA 91 CO 0.01 0.76 0.00 0.82 0.00 0.00 0.00 179.25 180.85 3kts h ILE 92 N 0.29 1.25 -0.69 0.00 1.08 -1.33 -2.38 117.51 115.75 3kts h ILE 92 Ca -0.04 -0.89 -0.04 0.00 -0.39 0.00 0.00 64.86 63.50 3kts h ILE 92 Cb 1.35 1.35 -0.03 0.00 -3.07 0.00 0.00 36.82 36.41 3kts h ILE 92 CO 0.13 0.28 0.28 0.24 -0.69 0.00 0.00 178.15 178.40 3kts h MET 93 N 0.22 1.00 -0.18 2.37 2.86 -1.45 -2.13 114.93 117.62 3kts h MET 93 Ca 0.07 -0.16 -0.19 0.00 -2.06 0.00 0.00 59.70 57.36 3kts h MET 93 Cb 0.41 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 31.89 3kts h MET 93 CO 0.01 0.81 -0.64 -0.22 1.06 0.00 0.00 176.91 177.93 3kts h LYS 94 N 0.99 0.65 -0.35 1.72 1.63 -1.38 -2.97 116.57 116.86 3kts h LYS 94 Ca 0.23 -0.46 -0.07 0.00 -0.85 0.00 0.00 60.65 59.50 3kts h LYS 94 Cb 0.18 0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.86 3kts h LYS 94 CO -0.02 1.08 -0.08 0.00 -3.45 0.00 0.00 179.45 176.98 3kts h ALA 95 N 0.80 1.20 -0.60 5.00 0.00 -1.19 -2.92 119.26 121.56 3kts h ALA 95 Ca -0.01 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 3kts h ALA 95 Cb 1.23 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 3kts h ALA 95 CO 0.13 0.52 0.09 0.87 0.00 0.00 0.00 179.25 180.85 3kts h LYS 96 N 0.55 1.00 -0.86 0.00 1.57 -1.35 0.08 116.57 117.56 3kts h LYS 96 Ca 0.10 -0.27 0.07 0.00 -1.87 0.00 0.00 60.65 58.69 3kts h LYS 96 Cb 0.48 -0.11 -0.06 0.00 0.08 0.00 0.00 32.23 32.62 3kts h LYS 96 CO 0.03 0.94 0.56 1.96 -0.57 0.00 0.00 179.45 182.37 3kts h GLN 97 N 0.90 0.90 -0.26 3.15 4.20 -1.35 -0.83 115.11 121.82 3kts h GLN 97 Ca 0.18 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.84 3kts h GLN 97 Cb 0.43 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.01 3kts h GLN 97 CO 0.01 0.60 0.00 0.72 -0.67 0.00 0.00 178.83 179.49 3kts n HIS 98 N -4.50 0.33 -3.77 2.96 8.25 -1.02 -4.91 115.22 112.56 3kts n HIS 98 Ca 0.13 -0.16 -0.27 0.00 -0.26 0.00 0.00 57.72 57.16 3kts n HIS 98 Cb 0.23 -0.01 0.04 0.00 1.12 0.00 0.00 29.99 31.38 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 0.21 -6.16 -3.64 -0.41 4.76 -0.32 -5.00 118.16 107.59 3kts n LYS 99 Ca 0.08 0.68 -0.24 0.00 -2.87 0.00 0.00 58.31 55.95 3kts n LYS 99 Cb 0.21 -5.57 -0.02 0.00 -1.84 0.00 0.00 35.03 27.81 3kts n LYS 99 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 3kts s MET 100 N -6.38 3.49 -0.38 1.97 -1.94 -0.02 -5.02 119.30 111.02 3kts s MET 100 Ca 0.51 -0.44 -0.29 0.00 -1.71 0.00 0.00 55.69 53.76 3kts s MET 100 Cb -0.25 -2.78 0.00 0.00 2.01 0.00 0.00 34.83 33.82 3kts s MET 100 CO 0.80 0.31 1.48 -1.17 -0.01 0.00 0.00 175.02 176.42 3kts s LEU 101 N -3.89 3.60 -0.48 -0.03 0.20 -1.26 -4.47 118.68 112.35 3kts s LEU 101 Ca 0.38 0.97 -0.12 0.00 0.69 0.00 0.00 54.13 56.04 3kts s LEU 101 Cb -0.10 -3.54 0.11 0.00 -0.43 0.00 0.00 46.19 42.23 3kts s LEU 101 CO 0.32 -1.45 0.38 0.00 -0.29 0.00 0.00 176.35 175.31 3kts s ALA 102 N 5.60 3.48 -0.24 5.97 0.00 -1.26 -1.37 121.76 133.94 3kts s ALA 102 Ca 0.64 -2.38 -0.10 0.00 0.00 0.00 0.00 51.96 50.12 3kts s ALA 102 Cb -0.16 -2.97 -0.05 0.00 0.00 0.00 0.00 23.12 19.94 3kts s ALA 102 CO 0.32 -1.86 0.15 -1.50 0.00 0.00 0.00 175.76 172.87 3kts s ILE 103 N 1.50 5.24 -0.13 0.00 2.07 -0.72 -0.34 121.20 128.81 3kts s ILE 103 Ca 0.04 0.14 -0.15 0.00 -1.41 0.00 0.00 60.65 59.27 3kts s ILE 103 Cb -0.26 -3.44 -0.05 0.00 0.13 0.00 0.00 42.46 38.84 3kts s ILE 103 CO 0.02 0.35 0.37 -1.58 -1.91 0.00 0.00 174.94 172.19 3kts s GLN 104 N 1.09 4.26 -0.10 3.50 0.74 -0.75 -2.33 119.66 126.06 3kts s GLN 104 Ca 0.07 0.24 -0.19 0.00 0.05 0.00 0.00 55.36 55.53 3kts s GLN 104 Cb -0.14 -3.41 -0.04 0.00 1.10 0.00 0.00 33.01 30.52 3kts s GLN 104 CO 0.05 0.24 0.52 0.50 -0.55 0.00 0.00 175.29 176.05 3kts s ARG 105 N 0.41 4.34 -0.07 1.67 3.52 0.20 -0.79 118.95 128.23 3kts s ARG 105 Ca 0.20 0.54 0.02 0.00 -0.13 0.00 0.00 55.73 56.37 3kts s ARG 105 Cb -0.14 -3.43 0.01 0.00 -1.56 0.00 0.00 34.95 29.84 3kts s ARG 105 CO 0.07 0.17 -0.12 -1.17 -0.81 0.00 0.00 175.30 173.44 3kts s LEU 106 N 0.55 1.62 -0.24 -0.88 2.96 0.11 -4.50 118.68 118.30 3kts s LEU 106 Ca 0.28 -0.31 -0.13 0.00 -0.22 0.00 0.00 54.13 53.75 3kts s LEU 106 Cb -0.16 -0.85 -0.04 0.00 0.50 0.00 0.00 46.19 45.64 3kts s LEU 106 CO 0.12 0.02 0.28 -0.36 -1.32 0.00 0.00 176.35 175.10 3kts s PHE 107 N 0.74 3.30 -1.59 5.38 0.08 -1.26 -1.05 117.98 123.58 3kts s PHE 107 Ca -0.13 0.36 -0.10 0.00 0.12 0.00 0.00 56.93 57.18 3kts s PHE 107 Cb -0.16 -2.44 -0.06 0.00 -0.57 0.00 0.00 43.02 39.80 3kts s PHE 107 CO 0.03 -0.07 2.83 -1.33 -0.10 0.00 0.00 175.22 176.57 3kts n MET 108 N 4.75 3.66 0.10 0.44 2.81 0.29 -4.64 117.12 124.53 3kts n MET 108 Ca -0.11 -2.34 -0.05 0.00 -1.81 0.00 0.00 57.70 53.39 3kts n MET 108 Cb 0.51 -2.85 -0.02 0.00 -0.71 0.00 0.00 33.22 30.15 3kts n MET 108 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 3kts h ILE 109 N 3.11 0.00 -2.90 2.02 2.04 -1.94 -3.44 117.51 116.40 3kts h ILE 109 Ca 0.82 -0.37 -0.10 0.00 1.00 0.00 0.00 64.86 66.22 3kts h ILE 109 Cb 0.33 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.39 3kts h ILE 109 CO 1.78 0.00 0.02 -0.90 0.00 0.00 0.00 178.15 179.05 3kts n ASP 110 N -3.82 -1.02 -0.26 1.72 5.68 -1.26 -5.05 116.55 112.53 3kts n ASP 110 Ca -0.04 -2.01 -0.06 0.00 -0.50 0.00 0.00 54.79 52.18 3kts n ASP 110 Cb 0.12 1.79 0.07 0.00 -1.14 0.00 0.00 41.12 41.96 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 1.14 1.07 -0.34 -1.12 4.64 -1.98 -1.03 113.55 115.92 3kts h SER 111 Ca -0.17 -0.19 -0.00 0.00 -0.47 0.00 0.00 61.79 60.95 3kts h SER 111 Cb 0.70 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.49 3kts h SER 111 CO 0.23 0.98 0.19 -1.28 -0.87 0.00 0.00 176.83 176.08 3kts h SER 112 N 1.10 0.41 -0.90 4.97 0.87 -1.99 0.61 113.55 118.63 3kts h SER 112 Ca 0.24 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 3kts h SER 112 Cb 0.28 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 62.10 3kts h SER 112 CO -0.01 0.37 0.51 0.00 -0.53 0.00 0.00 176.83 177.16 3kts h ALA 113 N 1.06 1.15 -0.60 6.23 0.00 -1.89 -2.18 119.26 123.02 3kts h ALA 113 Ca 0.12 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3kts h ALA 113 Cb 0.04 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 3kts h ALA 113 CO -0.02 0.64 0.24 -0.92 0.00 0.00 0.00 179.25 179.19 3kts h TYR 114 N 1.25 0.92 -0.12 0.00 3.20 -0.62 -0.12 116.97 121.46 3kts h TYR 114 Ca 0.32 -0.07 -0.09 0.00 3.14 0.00 0.00 58.73 62.03 3kts h TYR 114 Cb 0.00 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.00 3kts h TYR 114 CO 0.01 0.73 -0.28 -0.91 -1.64 0.00 0.00 178.16 176.07 3kts h ASN 115 N 0.84 0.46 0.45 -2.11 2.35 -0.82 -1.19 115.58 115.55 3kts h ASN 115 Ca 0.20 -0.57 -0.04 0.00 -0.55 0.00 0.00 56.30 55.34 3kts h ASN 115 Cb 0.20 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 3kts h ASN 115 CO -0.02 0.94 -0.21 0.11 -1.65 0.00 0.00 177.43 176.61 3kts h LYS 116 N -0.01 0.00 -0.02 0.81 1.57 -1.44 -2.35 116.57 115.13 3kts h LYS 116 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3kts h LYS 116 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.19 3kts h LYS 116 CO 0.06 0.21 -0.12 0.78 -0.57 0.00 0.00 179.45 179.81 3kts h GLY 117 N 1.10 0.13 1.79 3.86 0.00 -0.83 -2.35 103.07 106.77 3kts h GLY 117 Ca -0.00 -0.18 -0.12 0.00 0.00 0.00 0.00 47.33 47.02 3kts h GLY 117 CO 0.03 0.16 -0.50 -0.39 0.00 0.00 0.00 176.54 175.84 3kts h VAL 118 N -0.51 1.35 -0.10 4.60 -1.51 -1.21 -0.64 116.25 118.23 3kts h VAL 118 Ca -0.01 -1.73 -0.10 0.00 -1.23 0.00 0.00 66.70 63.63 3kts h VAL 118 Cb 0.79 1.84 -0.01 0.00 -2.13 0.00 0.00 31.29 31.78 3kts h VAL 118 CO 0.02 0.51 -0.37 0.00 -1.23 0.00 0.00 177.57 176.51 3kts h ALA 119 N 1.31 1.19 -0.18 5.19 0.00 -1.51 -1.68 119.26 123.58 3kts h ALA 119 Ca 0.01 -0.38 -0.12 0.00 0.00 0.00 0.00 54.91 54.42 3kts h ALA 119 Cb 0.94 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3kts h ALA 119 CO 0.08 0.55 -0.37 1.25 0.00 0.00 0.00 179.25 180.76 3kts h LEU 120 N 0.19 0.64 -0.68 0.00 5.85 -1.06 -2.63 115.31 117.62 3kts h LEU 120 Ca 0.02 -0.55 0.03 0.00 0.84 0.00 0.00 57.88 58.22 3kts h LEU 120 Cb 0.74 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 3kts h LEU 120 CO 0.06 1.07 0.42 0.40 -0.34 0.00 0.00 178.44 180.04 3kts h ILE 121 N 0.23 1.07 -0.04 4.05 2.04 -0.94 -1.05 117.51 122.86 3kts h ILE 121 Ca 0.01 -0.28 -0.07 0.00 1.00 0.00 0.00 64.86 65.52 3kts h ILE 121 Cb 0.97 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 3kts h ILE 121 CO 0.08 0.15 -0.31 -0.61 0.00 0.00 0.00 178.15 177.46 3kts h GLN 122 N 0.81 0.08 0.03 2.37 5.75 -1.37 0.36 115.11 123.14 3kts h GLN 122 Ca 0.28 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.75 3kts h GLN 122 Cb 0.05 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.59 3kts h GLN 122 CO -0.12 0.39 -0.02 -0.22 -2.65 0.00 0.00 178.83 176.21 3kts h LYS 123 N 0.07 -0.04 0.00 1.69 3.64 -0.99 -3.38 116.57 117.56 3kts h LYS 123 Ca 0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3kts h LYS 123 Cb 0.59 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 3kts h LYS 123 CO 0.04 0.59 -1.03 1.33 -2.27 0.00 0.00 179.45 178.11 3kts n VAL 124 N -4.79 0.18 -3.47 2.00 0.24 -0.46 -5.03 118.33 107.01 3kts n VAL 124 Ca -0.09 -0.26 -0.20 0.00 -2.04 0.00 0.00 64.34 61.76 3kts n VAL 124 Cb 0.32 0.18 0.01 0.00 -1.47 0.00 0.00 33.84 32.88 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 -1.99 -1.65 -1.62 7.34 1.13 0.11 -4.73 117.38 115.98 3kts n GLN 125 Ca 0.02 1.20 -0.30 0.00 -1.94 0.00 0.00 57.00 55.97 3kts n GLN 125 Cb 0.44 -3.43 0.07 0.00 0.11 0.00 0.00 30.24 27.43 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 -3.77 2.56 0.36 -1.09 0.04 -1.26 -4.95 135.00 126.89 3kts s PRO 126 Ca 0.10 0.73 0.15 0.00 0.04 0.00 0.00 61.00 62.02 3kts s PRO 126 Cb -0.01 -1.96 0.66 0.00 0.04 0.00 0.00 34.50 33.22 3kts s PRO 126 CO 0.85 -1.31 1.76 -0.44 0.04 0.00 0.00 177.00 177.89 3kts h ASP 127 N -0.86 0.00 -5.21 6.66 3.32 -1.06 -3.47 116.42 115.80 3kts h ASP 127 Ca -0.45 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.55 3kts h ASP 127 Cb 1.24 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.71 3kts h ASP 127 CO 0.59 0.42 -0.07 0.00 -1.72 0.00 0.00 179.24 178.47 3kts s ILE 129 N -3.97 0.33 -0.28 0.00 -4.36 -0.65 -1.80 121.20 110.46 3kts s ILE 129 Ca 0.21 -0.10 -0.09 0.00 -0.26 0.00 0.00 60.65 60.42 3kts s ILE 129 Cb -0.01 -0.33 -0.02 0.00 1.25 0.00 0.00 42.46 43.34 3kts s ILE 129 CO 0.09 0.13 0.12 -0.70 0.24 0.00 0.00 174.94 174.82 3kts s GLU 130 N 0.39 3.54 -0.24 0.37 2.12 0.03 0.62 118.70 125.52 3kts s GLU 130 Ca -0.04 -0.57 -0.09 0.00 0.36 0.00 0.00 54.97 54.63 3kts s GLU 130 Cb -0.07 -3.46 -0.04 0.00 0.26 0.00 0.00 34.13 30.81 3kts s GLU 130 CO -0.01 -0.29 0.13 -0.51 -0.54 0.00 0.00 175.26 174.05 3kts s LEU 131 N 1.63 3.89 -0.01 2.70 1.02 -0.07 -0.71 118.68 127.13 3kts s LEU 131 Ca 0.06 0.01 0.07 0.00 0.02 0.00 0.00 54.13 54.28 3kts s LEU 131 Cb -0.16 -2.04 -0.02 0.00 0.02 0.00 0.00 46.19 43.99 3kts s LEU 131 CO 0.05 0.04 -0.22 -0.76 0.02 0.00 0.00 176.35 175.48 3kts s LEU 132 N 1.20 2.06 0.93 1.79 1.02 -0.21 -1.42 118.68 124.05 3kts s LEU 132 Ca 0.06 -0.42 -0.12 0.00 0.02 0.00 0.00 54.13 53.67 3kts s LEU 132 Cb -0.14 -1.12 0.15 0.00 0.02 0.00 0.00 46.19 45.09 3kts s LEU 132 CO 0.05 0.26 1.09 -2.16 0.02 0.00 0.00 176.35 175.61 3kts s PRO 133 N -0.63 1.02 -0.16 1.29 0.04 -1.26 0.11 135.00 135.41 3kts s PRO 133 Ca 0.08 0.69 0.17 0.00 0.04 0.00 0.00 61.00 61.98 3kts s PRO 133 Cb -0.09 -1.79 0.77 0.00 0.04 0.00 0.00 34.50 33.43 3kts s PRO 133 CO -0.00 -2.37 1.69 0.41 0.04 0.00 0.00 177.00 176.77 3kts n GLY 134 N -1.21 2.86 0.69 0.56 0.00 0.23 -4.41 105.19 103.90 3kts n GLY 134 Ca 0.06 -0.89 0.08 0.00 0.00 0.00 0.00 46.02 45.27 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 0.94 2.20 -3.88 -0.61 -5.35 -1.26 -4.74 119.36 106.68 3kts n ILE 135 Ca 0.27 -2.09 -0.29 0.00 -0.27 0.00 0.00 62.75 60.38 3kts n ILE 135 Cb 1.02 -0.26 -0.13 0.00 -1.74 0.00 0.00 39.64 38.54 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 -2.89 2.53 0.41 7.28 1.01 -1.26 -4.98 121.20 123.30 3kts s ILE 136 Ca 0.40 -3.71 0.32 0.00 0.00 0.00 0.00 60.65 57.65 3kts s ILE 136 Cb 0.33 -2.70 0.34 0.00 0.01 0.00 0.00 42.46 40.44 3kts s ILE 136 CO 0.06 -0.94 2.11 -0.65 0.00 0.00 0.00 174.94 175.53 3kts h PRO 137 N 5.91 0.00 -0.66 2.79 0.11 -1.92 -2.37 132.00 135.85 3kts h PRO 137 Ca 0.06 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.12 3kts h PRO 137 Cb 0.82 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.91 3kts h PRO 137 CO 0.67 0.08 0.21 1.49 -0.21 0.00 0.00 178.00 180.24 3kts h GLU 138 N 0.00 1.03 0.00 1.05 4.81 -1.94 -1.01 114.58 118.52 3kts h GLU 138 Ca -0.00 -0.22 -0.15 0.00 -0.13 0.00 0.00 59.36 58.86 3kts h GLU 138 Cb 0.30 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 3kts h GLU 138 CO 0.01 0.89 -0.71 1.96 -0.73 0.00 0.00 179.01 180.44 3kts h GLN 139 N 0.96 0.00 -0.50 1.92 1.08 -1.85 -2.64 115.11 114.08 3kts h GLN 139 Ca 0.21 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.29 3kts h GLN 139 Cb 0.29 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.71 3kts h GLN 139 CO -0.01 0.71 -0.17 0.28 -0.95 0.00 0.00 178.83 178.69 3kts h VAL 140 N 0.00 1.27 -0.86 -0.54 2.07 -1.44 -2.60 116.25 114.14 3kts h VAL 140 Ca -0.01 -1.33 -0.01 0.00 0.82 0.00 0.00 66.70 66.17 3kts h VAL 140 Cb 1.29 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 32.09 3kts h VAL 140 CO 0.09 0.46 0.51 -0.61 0.02 0.00 0.00 177.57 178.04 3kts h GLN 141 N 0.87 1.18 -0.28 1.57 4.15 -1.05 -1.37 115.11 120.18 3kts h GLN 141 Ca 0.12 -0.12 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 3kts h GLN 141 Cb 0.75 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 28.18 3kts h GLN 141 CO 0.06 0.84 0.09 0.87 -1.93 0.00 0.00 178.83 178.76 3kts h LYS 142 N 1.19 0.44 -0.59 1.69 1.57 -1.43 -2.96 116.57 116.48 3kts h LYS 142 Ca 0.31 -0.09 -0.11 0.00 -1.87 0.00 0.00 60.65 58.89 3kts h LYS 142 Cb -0.03 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 3kts h LYS 142 CO -0.06 0.49 -0.05 0.52 -0.57 0.00 0.00 179.45 179.79 3kts h MET 143 N 0.30 1.07 0.00 3.15 2.86 -1.20 -1.79 114.93 119.32 3kts h MET 143 Ca 0.09 -0.36 -0.01 0.00 -2.06 0.00 0.00 59.70 57.36 3kts h MET 143 Cb 0.24 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.81 3kts h MET 143 CO -0.00 1.07 -0.03 1.79 1.06 0.00 0.00 176.91 180.80 3kts h THR 144 N 0.96 0.08 -0.34 2.22 1.35 -1.30 -1.92 112.91 113.96 3kts h THR 144 Ca 0.16 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 3kts h THR 144 Cb 0.62 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.48 3kts h THR 144 CO 0.04 0.03 0.00 0.00 -0.25 0.00 0.00 175.52 175.34 3kts n GLN 145 N -3.15 3.34 -0.09 4.72 6.02 -0.99 -4.27 117.38 122.97 3kts n GLN 145 Ca -0.00 -2.87 -0.10 0.00 -0.01 0.00 0.00 57.00 54.01 3kts n GLN 145 Cb 0.28 -1.91 -0.12 0.00 1.02 0.00 0.00 30.24 29.51 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 -0.19 1.08 -3.89 -1.09 5.02 -0.71 -5.02 118.16 113.36 3kts n LYS 146 Ca 0.22 0.03 -0.09 0.00 -2.02 0.00 0.00 58.31 56.45 3kts n LYS 146 Cb 0.93 -1.42 -0.06 0.00 -0.02 0.00 0.00 35.03 34.46 3kts n LYS 146 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3kts s LEU 147 N -5.52 0.73 -0.36 -0.35 2.96 -1.13 -5.06 118.68 109.95 3kts s LEU 147 Ca -0.14 -0.75 0.03 0.00 -0.22 0.00 0.00 54.13 53.05 3kts s LEU 147 Cb 0.06 1.45 0.51 0.00 0.50 0.00 0.00 46.19 48.71 3kts s LEU 147 CO 0.61 -0.93 1.73 1.57 -1.32 0.00 0.00 176.35 178.01 3kts n HIS 148 N -0.24 2.39 -3.13 5.38 -0.00 -1.26 -4.55 115.22 113.81 3kts n HIS 148 Ca -0.09 -1.59 -0.40 0.00 0.46 0.00 0.00 57.72 56.11 3kts n HIS 148 Cb 0.63 -0.81 -0.05 0.00 -0.12 0.00 0.00 29.99 29.63 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 -2.61 5.06 0.36 3.57 1.01 -1.26 -5.05 121.20 122.28 3kts s ILE 149 Ca 0.44 1.22 -0.28 0.00 0.00 0.00 0.00 60.65 62.03 3kts s ILE 149 Cb 0.37 -3.95 -0.11 0.00 0.01 0.00 0.00 42.46 38.78 3kts s ILE 149 CO 0.08 0.19 1.50 -2.65 0.00 0.00 0.00 174.94 174.07 3kts n PRO 150 N 4.42 2.66 -4.63 2.79 -0.02 -1.26 -4.82 135.00 134.14 3kts n PRO 150 Ca -0.02 0.93 -0.34 0.00 -2.02 0.00 0.00 63.50 62.06 3kts n PRO 150 Cb 0.51 -2.67 -0.12 0.00 -0.02 0.00 0.00 33.50 31.19 3kts n PRO 150 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3kts s VAL 151 N -0.87 3.57 0.27 -1.45 -7.23 -1.26 -1.64 120.40 111.79 3kts s VAL 151 Ca 0.56 -0.51 -0.08 0.00 -1.81 0.00 0.00 61.98 60.14 3kts s VAL 151 Cb -0.48 -2.49 -0.06 0.00 0.56 0.00 0.00 36.38 33.91 3kts s VAL 151 CO 0.60 0.56 0.57 -0.63 -0.31 0.00 0.00 175.10 175.89 3kts s ILE 152 N -0.30 4.96 -0.08 -0.62 -1.09 0.20 -0.62 121.20 123.65 3kts s ILE 152 Ca 0.04 0.30 0.02 0.00 -2.23 0.00 0.00 60.65 58.77 3kts s ILE 152 Cb -0.13 -3.68 0.02 0.00 -1.58 0.00 0.00 42.46 37.09 3kts s ILE 152 CO 0.02 -0.22 -0.12 0.00 -1.23 0.00 0.00 174.94 173.40 3kts s ALA 153 N -1.98 1.33 0.15 9.38 0.00 -0.91 -0.89 121.76 128.84 3kts s ALA 153 Ca 0.46 -0.48 0.01 0.00 0.00 0.00 0.00 51.96 51.95 3kts s ALA 153 Cb -0.11 -0.67 -0.04 0.00 0.00 0.00 0.00 23.12 22.30 3kts s ALA 153 CO 0.26 -0.01 -0.00 0.20 0.00 0.00 0.00 175.76 176.20 3kts s GLY 154 N 0.91 1.09 0.00 0.00 0.00 -0.51 -2.43 107.32 106.38 3kts s GLY 154 Ca -0.10 -1.52 0.00 0.00 0.00 0.00 0.00 44.72 43.10 3kts s GLY 154 CO 0.01 -1.49 0.00 0.61 0.00 0.00 0.00 173.10 172.23 3kts n GLY 155 N -0.18 -0.02 3.01 0.20 0.00 -1.20 -0.60 105.19 106.40 3kts n GLY 155 Ca -0.07 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.23 0.63 -4.69 0.99 4.77 -1.26 -0.77 117.00 116.44 3kts n LEU 156 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 3kts n LEU 156 Cb 0.00 -1.45 -0.03 0.00 -2.33 0.00 0.00 43.42 39.61 3kts n LEU 156 CO 0.00 -0.51 1.10 -0.63 -1.33 0.00 0.00 177.39 176.02 3kts s ILE 157 N -1.65 3.66 0.00 -0.08 1.09 -1.26 -4.89 121.20 118.06 3kts s ILE 157 Ca 0.00 1.08 0.00 0.00 -1.10 0.00 0.00 60.65 60.63 3kts s ILE 157 Cb 0.00 -3.69 0.00 0.00 -1.06 0.00 0.00 42.46 37.71 3kts s ILE 157 CO 0.00 0.01 0.00 -0.62 -0.10 0.00 0.00 174.94 174.23 3kts n GLU 158 N 5.10 0.00 -4.21 2.79 1.02 -1.26 -4.77 120.64 119.32 3kts n GLU 158 Ca 0.13 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 57.04 3kts n GLU 158 Cb 0.44 -0.90 -0.06 0.00 -0.02 0.00 0.00 31.44 30.89 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 -1.97 3.91 0.30 2.62 -4.23 -1.26 -4.81 115.64 110.20 3kts s THR 159 Ca 0.00 -1.67 0.20 0.00 -1.18 0.00 0.00 61.69 59.05 3kts s THR 159 Cb 0.00 -3.10 0.19 0.00 1.34 0.00 0.00 72.50 70.93 3kts s THR 159 CO 0.00 -0.36 1.88 0.28 -0.54 0.00 0.00 174.62 175.88 3kts h SER 160 N 1.73 0.00 -0.69 3.99 0.02 -1.99 -2.96 113.55 113.65 3kts h SER 160 Ca -0.46 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.42 3kts h SER 160 Cb 1.24 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.76 3kts h SER 160 CO 0.60 0.27 0.15 -0.33 -1.14 0.00 0.00 176.83 176.38 3kts h GLU 161 N 0.00 1.12 -0.20 3.45 3.07 -1.99 -2.30 114.58 117.73 3kts h GLU 161 Ca -0.00 -0.28 -0.08 0.00 -0.50 0.00 0.00 59.36 58.50 3kts h GLU 161 Cb 0.63 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.39 3kts h GLU 161 CO 0.04 1.00 -0.22 1.96 -1.40 0.00 0.00 179.01 180.39 3kts h GLN 162 N 1.05 0.36 -0.09 2.33 4.20 -1.94 -0.39 115.11 120.63 3kts h GLN 162 Ca 0.21 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 3kts h GLN 162 Cb 0.40 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.15 3kts h GLN 162 CO 0.01 0.56 0.02 0.28 -0.67 0.00 0.00 178.83 179.03 3kts h VAL 163 N 0.32 1.21 -0.28 -0.54 2.07 -1.42 -2.75 116.25 114.86 3kts h VAL 163 Ca 0.05 -0.65 -0.08 0.00 0.82 0.00 0.00 66.70 66.84 3kts h VAL 163 Cb 0.57 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 3kts h VAL 163 CO 0.04 0.18 -0.18 0.78 0.02 0.00 0.00 177.57 178.42 3kts h ASN 164 N -0.08 0.49 -0.06 0.57 2.35 -1.23 -2.58 115.58 115.03 3kts h ASN 164 Ca 0.03 -0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 55.63 3kts h ASN 164 Cb 0.28 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.51 3kts h ASN 164 CO 0.00 0.68 0.03 1.56 -1.65 0.00 0.00 177.43 178.05 3kts h GLN 165 N 0.45 0.08 -0.01 0.81 4.20 -1.01 -1.93 115.11 117.70 3kts h GLN 165 Ca 0.08 -0.01 -0.18 0.00 0.06 0.00 0.00 58.65 58.59 3kts h GLN 165 Cb 0.57 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 3kts h GLN 165 CO 0.04 0.19 -0.81 -0.24 -0.67 0.00 0.00 178.83 177.34 3kts h VAL 166 N -0.05 1.47 -0.12 -0.54 3.04 -1.49 -1.38 116.25 117.19 3kts h VAL 166 Ca 0.02 -2.48 -0.01 0.00 -1.01 0.00 0.00 66.70 63.22 3kts h VAL 166 Cb 0.14 2.36 -0.00 0.00 -2.01 0.00 0.00 31.29 31.77 3kts h VAL 166 CO -0.00 0.72 0.02 0.40 -1.01 0.00 0.00 177.57 177.70 3kts h ILE 167 N 0.12 1.21 0.00 3.17 2.04 -1.49 -1.09 117.51 121.47 3kts h ILE 167 Ca -0.03 -0.66 -0.01 0.00 1.00 0.00 0.00 64.86 65.16 3kts h ILE 167 Cb 1.41 1.42 -0.00 0.00 -0.74 0.00 0.00 36.82 38.91 3kts h ILE 167 CO 0.12 0.19 -0.03 0.00 0.00 0.00 0.00 178.15 178.44 3kts h ALA 168 N 0.81 1.09 -0.33 1.87 0.00 -1.34 0.36 119.26 121.72 3kts h ALA 168 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3kts h ALA 168 Cb 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3kts h ALA 168 CO 0.00 0.03 0.00 0.43 0.00 0.00 0.00 179.25 179.71 3kts n SER 169 N -3.25 2.14 0.00 0.00 7.64 -0.52 -4.91 113.62 114.72 3kts n SER 169 Ca -0.02 -2.09 0.00 0.00 1.01 0.00 0.00 58.87 57.77 3kts n SER 169 Cb 0.17 -0.31 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 3kts n SER 169 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kts n GLY 170 N 0.90 0.74 3.72 0.23 0.00 0.11 -3.38 105.19 107.50 3kts n GLY 170 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.00 3.22 0.28 4.61 0.00 -0.47 -4.56 121.76 122.84 3kts s ALA 171 Ca 0.00 0.60 0.06 0.00 0.00 0.00 0.00 51.96 52.62 3kts s ALA 171 Cb 0.00 -3.34 0.39 0.00 0.00 0.00 0.00 23.12 20.17 3kts s ALA 171 CO 0.00 -0.21 1.66 0.97 0.00 0.00 0.00 175.76 178.17 3kts h ILE 172 N 4.56 1.34 -3.27 0.00 2.10 -1.18 -3.38 117.51 117.67 3kts h ILE 172 Ca -0.42 -1.68 0.00 0.00 1.08 0.00 0.00 64.86 63.85 3kts h ILE 172 Cb 1.22 1.79 -0.06 0.00 -1.09 0.00 0.00 36.82 38.68 3kts h ILE 172 CO 0.75 0.50 0.10 0.00 -1.08 0.00 0.00 178.15 178.42 3kts s ALA 173 N -4.01 -0.75 -0.09 0.18 0.00 -1.25 -4.76 121.76 111.07 3kts s ALA 173 Ca -0.04 -0.60 0.01 0.00 0.00 0.00 0.00 51.96 51.32 3kts s ALA 173 Cb 0.13 0.92 0.02 0.00 0.00 0.00 0.00 23.12 24.19 3kts s ALA 173 CO 0.78 -0.96 -0.10 0.08 0.00 0.00 0.00 175.76 175.56 3kts s VAL 174 N -3.75 1.08 -0.13 0.00 1.01 0.17 -2.15 120.40 116.64 3kts s VAL 174 Ca 0.16 -0.38 -0.13 0.00 0.00 0.00 0.00 61.98 61.63 3kts s VAL 174 Cb -0.04 -1.05 -0.05 0.00 0.00 0.00 0.00 36.38 35.25 3kts s VAL 174 CO 0.09 0.36 0.29 0.42 0.00 0.00 0.00 175.10 176.26 3kts s THR 175 N 1.23 5.28 -0.09 3.92 -4.23 -1.02 -0.27 115.64 120.46 3kts s THR 175 Ca -0.04 0.56 -0.16 0.00 -1.18 0.00 0.00 61.69 60.87 3kts s THR 175 Cb -0.14 -3.62 0.04 0.00 1.34 0.00 0.00 72.50 70.12 3kts s THR 175 CO -0.03 0.45 0.39 0.28 -0.54 0.00 0.00 174.62 175.17 3kts s THR 176 N -0.02 0.02 -1.92 3.99 -1.32 -0.93 -3.24 115.64 112.23 3kts s THR 176 Ca 0.18 -0.19 0.19 0.00 -1.21 0.00 0.00 61.69 60.65 3kts s THR 176 Cb -0.13 -0.62 0.05 0.00 -1.51 0.00 0.00 72.50 70.28 3kts s THR 176 CO 0.06 -0.10 0.99 -1.54 -2.21 0.00 0.00 174.62 171.81 3kts n SER 177 N 2.06 2.04 -4.61 8.08 3.41 -1.26 -0.21 113.62 123.14 3kts n SER 177 Ca -0.17 -1.52 -0.43 0.00 -0.26 0.00 0.00 58.87 56.49 3kts n SER 177 Cb 0.57 0.32 -0.03 0.00 -0.26 0.00 0.00 64.21 64.81 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 -1.94 6.00 0.37 4.04 3.04 -1.26 -4.87 114.94 120.32 3kts s ASN 178 Ca 0.18 1.56 0.15 0.00 0.04 0.00 0.00 52.86 54.79 3kts s ASN 178 Cb 0.15 -2.53 0.71 0.00 -1.54 0.00 0.00 41.25 38.05 3kts s ASN 178 CO 0.39 -1.58 1.79 0.50 -3.04 0.00 0.00 177.10 175.16 3kts h LYS 179 N 12.46 0.00 -0.92 0.43 3.64 -1.97 -3.16 116.57 127.05 3kts h LYS 179 Ca -0.36 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.13 3kts h LYS 179 Cb 1.18 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.93 3kts h LYS 179 CO 1.01 0.40 0.59 1.25 -2.27 0.00 0.00 179.45 180.42 3kts h HIS 180 N 0.00 0.98 -1.49 1.91 2.76 -1.95 -2.74 115.15 114.62 3kts h HIS 180 Ca -0.00 0.03 -0.64 0.00 -2.20 0.00 0.00 60.37 57.55 3kts h HIS 180 Cb 0.77 -0.31 -0.37 0.00 1.55 0.00 0.00 27.41 29.05 3kts h HIS 180 CO 0.00 0.42 -0.07 1.47 -1.30 0.00 0.00 177.93 178.45 3kts n LEU 181 N -4.55 5.85 -0.00 0.26 -0.00 -1.19 -4.45 117.00 112.92 3kts n LEU 181 Ca 0.16 -4.95 0.10 0.00 -0.00 0.00 0.00 56.01 51.33 3kts n LEU 181 Cb 0.35 -0.67 -0.12 0.00 -0.00 0.00 0.00 43.42 42.98 3kts n LEU 181 CO 0.30 2.01 -0.18 0.79 -0.00 0.00 0.00 177.39 180.30 3kts n TRP 182 N -0.58 0.01 -0.35 1.47 8.01 -1.04 -5.01 117.44 119.96 3kts n TRP 182 Ca 0.46 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.66 3kts n TRP 182 Cb 0.58 -0.12 0.00 0.00 -2.01 0.00 0.00 31.31 29.77 3kts n TRP 182 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07