#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kts n GLU 2 N 0.00 3.55 -3.01 3.23 1.02 -1.26 -5.12 120.64 119.05 3kts n GLU 2 Ca 0.00 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.77 3kts n GLU 2 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.36 3kts n GLU 2 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3kts s LEU 3 N 0.00 4.43 0.00 -4.62 1.43 -1.26 -4.97 118.68 113.69 3kts s LEU 3 Ca 0.00 1.56 0.09 0.00 -1.03 0.00 0.00 54.13 54.76 3kts s LEU 3 Cb 0.00 -3.56 0.54 0.00 0.03 0.00 0.00 46.19 43.20 3kts s LEU 3 CO 0.00 0.08 1.21 -2.65 0.23 0.00 0.00 176.35 175.21 3kts n PRO 4 N 0.99 0.83 -0.25 1.29 -0.02 -1.26 -3.25 135.00 133.33 3kts n PRO 4 Ca -0.03 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.38 3kts n PRO 4 Cb 0.50 -1.17 0.05 0.00 -0.02 0.00 0.00 33.50 32.86 3kts n PRO 4 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 3kts h PHE 5 N 0.00 1.19 -6.22 6.00 0.05 -1.98 -3.48 116.94 112.50 3kts h PHE 5 Ca 0.00 -0.15 -0.30 0.00 3.82 0.00 0.00 57.97 61.34 3kts h PHE 5 Cb 0.00 -0.33 0.00 0.00 2.00 0.00 0.00 35.95 37.62 3kts h PHE 5 CO 0.00 0.98 -0.69 0.43 -0.18 0.00 0.00 178.31 178.85 3kts n SER 6 N -4.22 -6.00 -4.14 2.17 7.64 -1.20 -2.96 113.62 104.91 3kts n SER 6 Ca 0.05 -0.59 -0.42 0.00 1.01 0.00 0.00 58.87 58.91 3kts n SER 6 Cb 0.27 -3.07 -0.01 0.00 -1.01 0.00 0.00 64.21 60.40 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 -2.21 -2.70 -4.64 6.43 5.03 -1.26 -4.97 115.26 110.94 3kts n ASN 7 Ca -0.19 -1.28 -0.42 0.00 0.87 0.00 0.00 54.58 53.56 3kts n ASN 7 Cb 0.62 -1.54 -0.04 0.00 -1.02 0.00 0.00 39.78 37.80 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 -7.42 4.13 0.08 3.52 0.74 -1.16 -4.98 119.66 114.58 3kts s GLN 8 Ca 0.36 0.96 -0.18 0.00 0.05 0.00 0.00 55.36 56.55 3kts s GLN 8 Cb -0.20 -3.68 -0.08 0.00 1.10 0.00 0.00 33.01 30.15 3kts s GLN 8 CO 0.96 -0.64 1.51 0.77 -0.55 0.00 0.00 175.29 177.33 3kts h SER 9 N 7.81 0.46 -3.24 6.67 0.02 -1.93 -3.43 113.55 119.90 3kts h SER 9 Ca -0.22 -0.33 -0.60 0.00 -0.84 0.00 0.00 61.79 59.80 3kts h SER 9 Cb 1.08 -0.12 -0.35 0.00 0.14 0.00 0.00 62.40 63.15 3kts h SER 9 CO 0.92 0.68 -0.84 -0.63 -1.14 0.00 0.00 176.83 175.82 3kts s ILE 10 N -4.91 1.60 -0.40 3.27 1.09 -1.26 -2.24 121.20 118.35 3kts s ILE 10 Ca -0.14 -0.70 -0.14 0.00 -1.10 0.00 0.00 60.65 58.58 3kts s ILE 10 Cb 0.07 -1.46 0.03 0.00 -1.06 0.00 0.00 42.46 40.04 3kts s ILE 10 CO 0.75 0.46 0.27 -0.63 -0.10 0.00 0.00 174.94 175.70 3kts s ILE 11 N 1.00 5.03 0.29 2.92 1.01 0.11 -4.94 121.20 126.63 3kts s ILE 11 Ca -0.06 -0.75 -0.29 0.00 0.00 0.00 0.00 60.65 59.55 3kts s ILE 11 Cb -0.15 -3.82 -0.10 0.00 0.01 0.00 0.00 42.46 38.41 3kts s ILE 11 CO -0.02 -0.30 1.16 -2.16 0.00 0.00 0.00 174.94 173.61 3kts s PRO 12 N 1.64 4.56 -0.19 2.79 0.04 -1.26 -2.00 135.00 140.57 3kts s PRO 12 Ca 0.04 1.91 -0.03 0.00 0.04 0.00 0.00 61.00 62.97 3kts s PRO 12 Cb -0.19 -3.16 -0.01 0.00 0.04 0.00 0.00 34.50 31.18 3kts s PRO 12 CO 0.09 0.10 -0.07 0.00 0.04 0.00 0.00 177.00 177.15 3kts s ALA 13 N -1.13 2.75 -0.24 8.56 0.00 0.15 -1.03 121.76 130.82 3kts s ALA 13 Ca 0.46 -1.09 -0.12 0.00 0.00 0.00 0.00 51.96 51.20 3kts s ALA 13 Cb -0.34 -1.55 -0.05 0.00 0.00 0.00 0.00 23.12 21.18 3kts s ALA 13 CO 0.44 -0.25 0.25 0.00 0.00 0.00 0.00 175.76 176.21 3kts s ALA 14 N 1.16 3.58 -0.00 0.00 0.00 0.12 -4.49 121.76 122.13 3kts s ALA 14 Ca 0.02 -0.83 -0.00 0.00 0.00 0.00 0.00 51.96 51.14 3kts s ALA 14 Cb -0.14 -2.48 -0.26 0.00 0.00 0.00 0.00 23.12 20.23 3kts s ALA 14 CO -0.02 -0.36 0.82 0.45 0.00 0.00 0.00 175.76 176.66 3kts h HIS 15 N 7.74 0.35 -4.93 0.00 3.86 -1.90 -1.32 115.15 118.95 3kts h HIS 15 Ca -0.36 -0.25 -0.58 0.00 -1.16 0.00 0.00 60.37 58.02 3kts h HIS 15 Cb 1.17 -0.01 -0.12 0.00 1.06 0.00 0.00 27.41 29.51 3kts h HIS 15 CO 0.70 1.32 -0.46 0.09 0.86 0.00 0.00 177.93 180.44 3kts n ASN 16 N -3.38 1.88 -0.30 2.45 3.02 -1.26 -4.17 115.26 113.50 3kts n ASN 16 Ca -0.16 -3.14 -0.03 0.00 -0.03 0.00 0.00 54.58 51.21 3kts n ASN 16 Cb 1.04 0.81 0.09 0.00 -0.61 0.00 0.00 39.78 41.10 3kts n ASN 16 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 3kts h GLN 17 N 0.00 1.04 -0.61 3.52 1.08 -1.95 -2.93 115.11 115.26 3kts h GLN 17 Ca -0.34 -0.06 -0.03 0.00 -1.45 0.00 0.00 58.65 56.76 3kts h GLN 17 Cb 1.21 -0.23 -0.03 0.00 -0.05 0.00 0.00 27.48 28.38 3kts h GLN 17 CO 0.55 0.69 0.25 0.87 -0.95 0.00 0.00 178.83 180.24 3kts h LYS 18 N 1.07 0.91 -0.10 1.46 1.57 -1.99 -1.95 116.57 117.54 3kts h LYS 18 Ca 0.31 -0.16 -0.10 0.00 -1.87 0.00 0.00 60.65 58.83 3kts h LYS 18 Cb -0.07 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.08 3kts h LYS 18 CO -0.09 0.77 -0.38 -0.44 -0.57 0.00 0.00 179.45 178.75 3kts h ASP 19 N 0.85 0.22 1.29 0.86 5.19 -1.94 -1.30 116.42 121.59 3kts h ASP 19 Ca 0.20 -0.09 -0.14 0.00 -0.62 0.00 0.00 57.03 56.39 3kts h ASP 19 Cb 0.20 -0.06 -0.02 0.00 0.18 0.00 0.00 39.33 39.62 3kts h ASP 19 CO -0.02 0.59 -0.72 0.00 -3.12 0.00 0.00 179.24 175.97 3kts h MET 20 N 0.19 0.00 -0.03 3.56 -0.00 -1.33 -2.39 114.93 114.93 3kts h MET 20 Ca 0.02 0.00 -0.16 0.00 -0.00 0.00 0.00 59.70 59.56 3kts h MET 20 Cb 0.75 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.34 3kts h MET 20 CO 0.06 0.62 -0.70 0.93 -0.00 0.00 0.00 176.91 177.82 3kts h GLU 21 N 0.00 0.16 0.10 -0.10 5.08 -1.18 -2.35 114.58 116.29 3kts h GLU 21 Ca -0.02 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 3kts h GLU 21 Cb 1.51 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.79 3kts h GLU 21 CO 0.08 0.79 -0.05 0.87 -1.00 0.00 0.00 179.01 179.71 3kts h LYS 22 N 0.11 -0.12 -0.00 2.33 1.79 -1.17 -3.18 116.57 116.33 3kts h LYS 22 Ca -0.02 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 3kts h LYS 22 Cb 1.24 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.92 3kts h LYS 22 CO 0.10 -0.01 -0.03 0.44 -1.08 0.00 0.00 179.45 178.87 3kts n ILE 23 N -5.11 0.00 0.09 1.86 -5.35 -0.91 -3.46 119.36 106.48 3kts n ILE 23 Ca -0.08 -0.02 -0.03 0.00 -0.27 0.00 0.00 62.75 62.35 3kts n ILE 23 Cb 0.11 -0.37 0.19 0.00 -1.74 0.00 0.00 39.64 37.82 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 0.18 0.27 0.00 7.28 5.85 -1.39 -2.86 115.31 124.64 3kts h LEU 24 Ca 0.00 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.59 3kts h LEU 24 Cb 0.27 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.23 3kts h LEU 24 CO 0.00 0.70 -0.40 -0.62 -0.34 0.00 0.00 178.44 177.78 3kts n GLU 25 N -3.98 0.00 -1.39 1.25 1.02 -1.22 -4.92 120.64 111.40 3kts n GLU 25 Ca -0.02 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.81 3kts n GLU 25 Cb 0.52 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.52 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 -3.02 3.05 0.29 -4.62 1.02 -1.08 -4.98 118.68 109.35 3kts s LEU 26 Ca 0.12 1.72 0.15 0.00 0.02 0.00 0.00 54.13 56.13 3kts s LEU 26 Cb 0.18 -4.49 0.34 0.00 0.02 0.00 0.00 46.19 42.24 3kts s LEU 26 CO 0.67 -1.80 1.58 -2.24 0.02 0.00 0.00 176.35 174.58 3kts h ASP 27 N -0.96 0.00 -3.89 2.29 2.03 -1.91 -3.46 116.42 110.51 3kts h ASP 27 Ca -0.44 0.00 -0.52 0.00 -0.73 0.00 0.00 57.03 55.34 3kts h ASP 27 Cb 1.22 0.00 0.07 0.00 -0.83 0.00 0.00 39.33 39.79 3kts h ASP 27 CO 0.54 0.55 0.64 -0.76 -1.03 0.00 0.00 179.24 179.18 3kts s LEU 28 N -6.98 4.40 -0.18 0.15 1.43 -1.26 -4.99 118.68 111.25 3kts s LEU 28 Ca 0.01 2.70 -0.02 0.00 -1.03 0.00 0.00 54.13 55.79 3kts s LEU 28 Cb 0.10 -3.68 -0.22 0.00 0.03 0.00 0.00 46.19 42.43 3kts s LEU 28 CO 0.73 -0.58 0.11 1.07 0.23 0.00 0.00 176.35 177.91 3kts n THR 29 N 0.71 1.65 -3.64 5.49 5.66 -1.26 -4.92 114.28 117.97 3kts n THR 29 Ca 0.00 -0.63 -0.37 0.00 -3.05 0.00 0.00 64.05 60.01 3kts n THR 29 Cb 0.42 -1.56 -0.06 0.00 -1.55 0.00 0.00 70.33 67.58 3kts n THR 29 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 3kts s TYR 30 N -2.54 3.66 0.05 1.09 1.51 -1.26 -1.53 117.35 118.32 3kts s TYR 30 Ca -0.27 0.80 0.01 0.00 -1.01 0.00 0.00 57.07 56.60 3kts s TYR 30 Cb 0.08 -2.15 -0.03 0.00 -0.11 0.00 0.00 41.96 39.75 3kts s TYR 30 CO 0.70 0.65 -0.06 0.00 -1.11 0.00 0.00 175.55 175.74 3kts s MET 31 N -1.23 0.53 -0.21 -0.62 0.23 0.07 -4.22 119.30 113.86 3kts s MET 31 Ca 0.23 -0.87 -0.06 0.00 -1.03 0.00 0.00 55.69 53.96 3kts s MET 31 Cb -0.15 -0.12 -0.03 0.00 -1.53 0.00 0.00 34.83 33.01 3kts s MET 31 CO 0.12 -0.00 0.02 0.08 -2.03 0.00 0.00 175.02 173.20 3kts s VAL 32 N -2.07 4.13 -0.27 5.16 1.01 -0.20 0.02 120.40 128.19 3kts s VAL 32 Ca -0.06 -0.25 -0.12 0.00 0.00 0.00 0.00 61.98 61.55 3kts s VAL 32 Cb -0.05 -2.88 -0.05 0.00 0.00 0.00 0.00 36.38 33.40 3kts s VAL 32 CO -0.02 0.41 0.24 -0.32 0.00 0.00 0.00 175.10 175.42 3kts s MET 33 N 1.03 3.99 0.00 2.72 1.75 -0.58 0.15 119.30 128.36 3kts s MET 33 Ca 0.03 -0.20 0.00 0.00 -1.25 0.00 0.00 55.69 54.26 3kts s MET 33 Cb -0.14 -3.64 0.00 0.00 2.84 0.00 0.00 34.83 33.88 3kts s MET 33 CO 0.02 -0.18 0.00 1.28 -0.65 0.00 0.00 175.02 175.49 3kts n LEU 34 N 5.05 1.13 -4.80 4.11 4.77 -0.50 -1.91 117.00 124.85 3kts n LEU 34 Ca -0.12 0.02 -0.37 0.00 -0.03 0.00 0.00 56.01 55.50 3kts n LEU 34 Cb 0.52 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.50 3kts n LEU 34 CO 0.34 -0.04 0.01 -0.70 -1.33 0.00 0.00 177.39 175.67 3kts s GLU 35 N -0.08 3.94 0.05 3.23 2.12 -1.26 -4.47 118.70 122.24 3kts s GLU 35 Ca 0.00 0.20 -0.09 0.00 0.36 0.00 0.00 54.97 55.44 3kts s GLU 35 Cb 0.00 -3.29 -0.00 0.00 0.26 0.00 0.00 34.13 31.10 3kts s GLU 35 CO 0.00 0.54 0.18 0.95 -0.54 0.00 0.00 175.26 176.39 3kts s THR 36 N -0.48 0.12 -0.11 -1.70 -4.23 -0.88 -4.73 115.64 103.63 3kts s THR 36 Ca 0.20 -1.02 -0.03 0.00 -1.18 0.00 0.00 61.69 59.65 3kts s THR 36 Cb -0.14 -1.05 -0.03 0.00 1.34 0.00 0.00 72.50 72.61 3kts s THR 36 CO 0.08 -0.56 0.02 -1.00 -0.54 0.00 0.00 174.62 172.62 3kts s HIS 37 N -2.99 3.19 0.43 3.99 3.76 -1.26 -0.97 115.29 121.44 3kts s HIS 37 Ca -0.02 0.13 0.14 0.00 -0.15 0.00 0.00 55.06 55.16 3kts s HIS 37 Cb 0.01 -1.87 0.95 0.00 1.11 0.00 0.00 32.58 32.77 3kts s HIS 37 CO -0.06 0.37 1.96 -0.24 -0.85 0.00 0.00 174.74 175.92 3kts h VAL 38 N 4.40 1.15 -0.03 -0.90 3.04 -1.55 0.27 116.25 122.64 3kts h VAL 38 Ca -0.46 -0.72 -0.10 0.00 -1.01 0.00 0.00 66.70 64.40 3kts h VAL 38 Cb 1.19 1.37 -0.01 0.00 -2.01 0.00 0.00 31.29 31.83 3kts h VAL 38 CO 0.58 0.21 -0.46 0.00 -1.01 0.00 0.00 177.57 176.89 3kts h ALA 39 N 1.78 1.19 0.00 3.17 0.00 -1.96 -3.08 119.26 120.36 3kts h ALA 39 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3kts h ALA 39 Cb 0.37 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3kts h ALA 39 CO 0.03 0.59 -1.03 1.04 0.00 0.00 0.00 179.25 179.87 3kts n GLN 40 N -3.99 0.21 0.09 0.00 6.02 -0.70 -4.78 117.38 114.23 3kts n GLN 40 Ca -0.02 -0.02 -0.14 0.00 -0.01 0.00 0.00 57.00 56.81 3kts n GLN 40 Cb 0.49 -1.55 -0.08 0.00 1.02 0.00 0.00 30.24 30.12 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 0.00 -1.35 -0.59 1.08 5.85 -0.88 -1.81 115.31 117.61 3kts h LEU 41 Ca 0.00 0.16 0.07 0.00 0.84 0.00 0.00 57.88 58.95 3kts h LEU 41 Cb 0.67 0.52 -0.06 0.00 0.37 0.00 0.00 40.66 42.15 3kts h LEU 41 CO 0.00 -0.49 0.27 0.50 -0.34 0.00 0.00 178.44 178.38 3kts h LYS 42 N -0.64 0.49 -0.40 1.25 3.64 -1.86 -1.51 116.57 117.53 3kts h LYS 42 Ca 0.03 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.42 3kts h LYS 42 Cb 0.69 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.36 3kts h LYS 42 CO -0.30 0.32 0.17 0.00 -2.27 0.00 0.00 179.45 177.38 3kts h ALA 43 N 1.36 0.49 -0.60 5.00 0.00 -1.76 -0.93 119.26 122.81 3kts h ALA 43 Ca 0.28 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.16 3kts h ALA 43 Cb 0.26 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3kts h ALA 43 CO -0.23 -0.21 0.12 -0.07 0.00 0.00 0.00 179.25 178.86 3kts h LEU 44 N 0.35 0.94 0.33 0.00 3.38 -0.87 -2.16 115.31 117.29 3kts h LEU 44 Ca 0.18 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 3kts h LEU 44 Cb 0.13 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.64 3kts h LEU 44 CO -0.16 0.95 -0.16 0.58 0.09 0.00 0.00 178.44 179.74 3kts h VAL 45 N 0.89 0.64 0.00 1.22 2.07 -1.03 -2.99 116.25 117.05 3kts h VAL 45 Ca 0.19 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 3kts h VAL 45 Cb 0.40 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 3kts h VAL 45 CO 0.01 0.11 -0.08 0.11 0.02 0.00 0.00 177.57 177.73 3kts h LYS 46 N -0.80 0.00 0.05 1.57 1.57 -1.22 -2.02 116.57 115.71 3kts h LYS 46 Ca -0.05 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3kts h LYS 46 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 3kts h LYS 46 CO 0.07 0.08 -0.03 -0.92 -0.57 0.00 0.00 179.45 178.09 3kts h TYR 47 N 0.00 -0.07 -0.03 -1.35 3.20 -1.42 -2.33 116.97 114.98 3kts h TYR 47 Ca -0.00 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 3kts h TYR 47 Cb 0.34 0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.63 3kts h TYR 47 CO 0.00 0.41 -0.04 0.00 -1.64 0.00 0.00 178.16 176.88 3kts h ALA 48 N 0.33 1.88 0.03 1.82 0.00 -1.30 -0.84 119.26 121.17 3kts h ALA 48 Ca -0.01 -0.06 -0.24 0.00 0.00 0.00 0.00 54.91 54.61 3kts h ALA 48 Cb 0.50 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3kts h ALA 48 CO 0.01 0.09 -1.00 1.96 0.00 0.00 0.00 179.25 180.31 3kts h GLN 49 N 0.04 0.41 -0.26 0.00 4.20 -1.41 0.19 115.11 118.27 3kts h GLN 49 Ca 0.01 -0.47 -0.09 0.00 0.06 0.00 0.00 58.65 58.16 3kts h GLN 49 Cb 0.10 0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 3kts h GLN 49 CO 0.01 1.14 -0.21 0.00 -0.67 0.00 0.00 178.83 179.10 3kts h ALA 50 N 0.68 1.16 0.00 3.87 0.00 -0.96 -2.09 119.26 121.92 3kts h ALA 50 Ca -0.09 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3kts h ALA 50 Cb 1.65 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.32 3kts h ALA 50 CO 0.17 0.53 0.00 0.41 0.00 0.00 0.00 179.25 180.37 3kts n GLY 51 N -0.47 -0.21 2.22 0.00 0.00 -0.36 -4.85 105.19 101.52 3kts n GLY 51 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.25 1.04 3.93 -0.02 0.00 -0.78 -5.03 105.19 104.59 3kts n GLY 52 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.26 2.81 -0.08 1.61 -0.14 0.04 -4.98 119.74 118.75 3kts s LYS 53 Ca 0.00 -0.23 0.03 0.00 -1.36 0.00 0.00 55.97 54.41 3kts s LYS 53 Cb 0.00 -2.35 0.01 0.00 -1.68 0.00 0.00 37.83 33.81 3kts s LYS 53 CO 0.00 -0.68 -0.18 0.15 -0.76 0.00 0.00 175.35 173.88 3kts s LYS 54 N -4.90 2.29 -0.22 1.68 1.02 -0.58 -4.00 119.74 115.03 3kts s LYS 54 Ca 0.54 -0.64 -0.07 0.00 0.02 0.00 0.00 55.97 55.82 3kts s LYS 54 Cb -0.10 -1.81 -0.03 0.00 -0.52 0.00 0.00 37.83 35.36 3kts s LYS 54 CO 0.43 0.12 0.06 0.08 -0.92 0.00 0.00 175.35 175.12 3kts s VAL 55 N 0.44 4.44 -0.45 3.17 1.01 -1.26 -0.75 120.40 127.00 3kts s VAL 55 Ca -0.15 -0.14 -0.14 0.00 0.00 0.00 0.00 61.98 61.55 3kts s VAL 55 Cb -0.16 -3.04 0.06 0.00 0.00 0.00 0.00 36.38 33.24 3kts s VAL 55 CO 0.06 0.40 0.35 -0.76 0.00 0.00 0.00 175.10 175.15 3kts s LEU 56 N 1.04 5.43 -0.21 3.92 1.43 0.10 0.20 118.68 130.60 3kts s LEU 56 Ca 0.04 -1.25 -0.11 0.00 -1.03 0.00 0.00 54.13 51.79 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 0.03 -0.58 0.15 -0.22 0.23 0.00 0.00 176.35 175.96 3kts s LEU 57 N 1.62 4.19 -0.40 1.79 2.96 0.19 -1.53 118.68 127.51 3kts s LEU 57 Ca 0.04 0.23 -0.28 0.00 -0.22 0.00 0.00 54.13 53.90 3kts s LEU 57 Cb -0.23 -2.12 -0.02 0.00 0.50 0.00 0.00 46.19 44.32 3kts s LEU 57 CO 0.07 0.14 1.82 -1.00 -1.32 0.00 0.00 176.35 176.06 3kts s HIS 58 N 0.54 1.77 0.20 5.38 3.76 -0.80 -1.64 115.29 124.50 3kts s HIS 58 Ca 0.09 0.69 0.30 0.00 -0.15 0.00 0.00 55.06 55.99 3kts s HIS 58 Cb -0.12 -4.11 1.29 0.00 1.11 0.00 0.00 32.58 30.76 3kts s HIS 58 CO 0.00 -2.77 1.97 0.00 -0.85 0.00 0.00 174.74 173.09 3kts h ALA 59 N 13.48 1.05 0.00 -1.40 0.00 -1.68 -2.96 119.26 127.75 3kts h ALA 59 Ca -0.31 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3kts h ALA 59 Cb 1.17 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3kts h ALA 59 CO 1.08 0.12 0.00 -0.25 0.00 0.00 0.00 179.25 180.20 3kts n ASP 60 N -3.28 0.79 -0.50 0.00 10.43 -1.26 -4.13 116.55 118.61 3kts n ASP 60 Ca -0.00 0.57 0.07 0.00 2.57 0.00 0.00 54.79 58.00 3kts n ASP 60 Cb 0.32 -0.79 0.19 0.00 1.84 0.00 0.00 41.12 42.68 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 -2.24 2.92 -4.41 0.64 4.77 -1.12 -4.93 117.00 112.63 3kts n LEU 61 Ca 0.06 -3.43 -0.44 0.00 -0.03 0.00 0.00 56.01 52.16 3kts n LEU 61 Cb 0.43 -0.51 -0.05 0.00 -2.33 0.00 0.00 43.42 40.96 3kts n LEU 61 CO 0.30 1.00 0.44 -0.69 -1.33 0.00 0.00 177.39 177.11 3kts s VAL 62 N -3.04 4.76 0.04 4.08 1.01 -1.26 -2.07 120.40 123.93 3kts s VAL 62 Ca 0.37 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 61.30 3kts s VAL 62 Cb 0.33 -4.46 -0.08 0.00 0.00 0.00 0.00 36.38 32.17 3kts s VAL 62 CO 0.00 -1.08 1.73 0.20 0.00 0.00 0.00 175.10 175.96 3kts s ASN 63 N 3.35 6.57 0.00 3.32 0.02 -0.15 -1.74 114.94 126.31 3kts s ASN 63 Ca 0.14 2.49 0.00 0.00 -1.02 0.00 0.00 52.86 54.48 3kts s ASN 63 Cb -0.22 -2.55 0.00 0.00 0.02 0.00 0.00 41.25 38.50 3kts s ASN 63 CO 0.09 -0.94 0.00 0.61 0.02 0.00 0.00 177.10 176.88 3kts n GLY 64 N 4.16 2.78 3.35 0.66 0.00 -1.26 -1.42 105.19 113.45 3kts n GLY 64 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 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 2.36 0.00 0.99 2.96 -0.71 -5.01 118.68 119.26 3kts s LEU 65 Ca 0.00 -0.39 0.00 0.00 -0.22 0.00 0.00 54.13 53.52 3kts s LEU 65 Cb 0.00 -1.46 0.00 0.00 0.50 0.00 0.00 46.19 45.23 3kts s LEU 65 CO 0.00 0.27 0.00 0.29 -1.32 0.00 0.00 176.35 175.59 3kts n LYS 66 N 2.81 -0.52 -0.86 1.98 5.02 -1.26 -4.65 118.16 120.67 3kts n LYS 66 Ca -0.17 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.17 3kts n LYS 66 Cb 0.52 0.00 0.10 0.00 -0.02 0.00 0.00 35.03 35.63 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 -2.65 1.29 -4.19 4.39 6.94 -1.26 -4.82 115.26 114.95 3kts n ASN 67 Ca 0.00 -2.83 -0.35 0.00 -0.02 0.00 0.00 54.58 51.39 3kts n ASN 67 Cb 0.00 -0.39 0.08 0.00 -2.36 0.00 0.00 39.78 37.11 3kts n ASN 67 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 3kts n ASP 68 N -0.40 -4.21 -0.35 0.53 10.43 -1.26 -4.62 116.55 116.67 3kts n ASP 68 Ca 0.11 0.26 0.04 0.00 2.57 0.00 0.00 54.79 57.77 3kts n ASP 68 Cb 0.86 -0.96 0.20 0.00 1.84 0.00 0.00 41.12 43.06 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 -1.22 0.99 -0.68 -2.24 3.32 -1.98 -1.29 116.42 113.32 3kts h ASP 69 Ca -0.44 0.01 0.04 0.00 0.02 0.00 0.00 57.03 56.66 3kts h ASP 69 Cb 1.29 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 40.60 3kts h ASP 69 CO 0.28 0.62 0.41 1.88 -1.72 0.00 0.00 179.24 180.72 3kts h TYR 70 N 1.11 0.77 -0.48 4.55 -1.99 -1.99 0.24 116.97 119.18 3kts h TYR 70 Ca 0.43 0.02 -0.09 0.00 2.00 0.00 0.00 58.73 61.10 3kts h TYR 70 Cb 0.22 -0.25 -0.02 0.00 2.00 0.00 0.00 36.73 38.68 3kts h TYR 70 CO -0.00 0.42 -0.05 0.00 -0.00 0.00 0.00 178.16 178.53 3kts h ALA 71 N 1.31 1.01 -0.18 3.88 0.00 -1.73 -1.33 119.26 122.21 3kts h ALA 71 Ca 0.28 -0.30 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 3kts h ALA 71 Cb 0.06 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3kts h ALA 71 CO -0.12 0.60 -0.60 0.82 0.00 0.00 0.00 179.25 179.95 3kts h ILE 72 N 0.77 1.32 -0.77 0.00 1.08 -0.80 -1.88 117.51 117.23 3kts h ILE 72 Ca 0.14 -1.86 0.08 0.00 -0.39 0.00 0.00 64.86 62.83 3kts h ILE 72 Cb 0.53 1.82 -0.06 0.00 -3.07 0.00 0.00 36.82 36.04 3kts h ILE 72 CO 0.03 0.58 0.44 0.44 -0.69 0.00 0.00 178.15 178.95 3kts h ASP 73 N 0.46 0.64 -0.46 1.72 3.32 -0.33 -1.37 116.42 120.41 3kts h ASP 73 Ca -0.00 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 3kts h ASP 73 Cb 1.17 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.61 3kts h ASP 73 CO 0.12 0.39 0.25 0.15 -1.72 0.00 0.00 179.24 178.43 3kts h PHE 74 N 0.77 0.62 0.00 4.55 3.04 -1.07 -0.19 116.94 124.67 3kts h PHE 74 Ca 0.36 -0.01 -0.06 0.00 3.98 0.00 0.00 57.97 62.23 3kts h PHE 74 Cb 0.27 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 38.57 3kts h PHE 74 CO -0.07 0.46 -0.29 -0.07 -2.02 0.00 0.00 178.31 176.33 3kts h LEU 75 N 0.60 0.00 0.00 0.59 3.38 -0.81 -0.84 115.31 118.24 3kts h LEU 75 Ca 0.16 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.98 3kts h LEU 75 Cb 0.04 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3kts h LEU 75 CO -0.03 0.29 -1.69 0.00 0.09 0.00 0.00 178.44 177.10 3kts n THR 77 N -2.71 0.00 0.00 0.00 -2.24 -0.11 -4.59 114.28 104.63 3kts n THR 77 Ca -0.12 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 3kts n THR 77 Cb 0.82 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 70.07 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 -0.99 1.77 -0.13 -0.78 1.02 -0.35 -4.92 120.64 116.26 3kts n GLU 78 Ca 0.02 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.96 3kts n GLU 78 Cb 0.12 -0.74 -0.11 0.00 -0.02 0.00 0.00 31.44 30.69 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 -1.27 1.45 -3.37 -3.67 -0.00 -1.01 -5.02 119.36 106.48 3kts n ILE 79 Ca 0.00 -0.52 -0.11 0.00 -0.00 0.00 0.00 62.75 62.12 3kts n ILE 79 Cb 0.24 -1.49 0.00 0.00 -0.00 0.00 0.00 39.64 38.39 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 -2.26 1.59 0.00 0.00 -0.04 -1.26 -4.97 135.00 128.06 3kts n PRO 81 Ca -0.12 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.37 3kts n PRO 81 Cb 0.58 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.03 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 0.00 0.83 -3.58 3.54 8.00 0.13 -4.92 116.55 120.56 3kts n ASP 82 Ca 0.00 -0.92 -0.07 0.00 0.71 0.00 0.00 54.79 54.52 3kts n ASP 82 Cb 0.00 0.63 -0.03 0.00 -0.02 0.00 0.00 41.12 41.70 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 -1.31 -0.26 -0.13 0.44 0.00 -0.81 -4.23 107.32 101.02 3kts s GLY 83 Ca 0.05 1.78 0.01 0.00 0.00 0.00 0.00 44.72 46.57 3kts s GLY 83 CO 0.22 0.72 -0.15 -0.42 0.00 0.00 0.00 173.10 173.47 3kts s ILE 84 N -1.99 1.55 -0.27 0.90 -1.09 0.66 -0.64 121.20 120.32 3kts s ILE 84 Ca 0.05 -0.64 -0.10 0.00 -2.23 0.00 0.00 60.65 57.73 3kts s ILE 84 Cb -0.01 -1.43 -0.04 0.00 -1.58 0.00 0.00 42.46 39.40 3kts s ILE 84 CO -0.04 0.45 0.16 -0.63 -1.23 0.00 0.00 174.94 173.65 3kts s ILE 85 N 1.23 5.06 0.06 2.92 1.01 -0.65 -0.61 121.20 130.23 3kts s ILE 85 Ca -0.01 0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.73 3kts s ILE 85 Cb -0.14 -3.40 -0.04 0.00 0.01 0.00 0.00 42.46 38.89 3kts s ILE 85 CO -0.06 0.27 -0.05 -0.55 0.00 0.00 0.00 174.94 174.55 3kts s SER 86 N 1.72 0.71 0.08 3.58 0.15 -0.98 -1.70 113.70 117.26 3kts s SER 86 Ca 0.07 -0.91 0.23 0.00 0.70 0.00 0.00 55.95 56.04 3kts s SER 86 Cb -0.16 0.14 0.09 0.00 -1.71 0.00 0.00 66.02 64.38 3kts s SER 86 CO 0.09 -0.49 1.07 1.07 1.20 0.00 0.00 173.24 176.18 3kts n THR 87 N 0.34 0.25 -3.42 6.45 5.66 -1.26 -0.54 114.28 121.76 3kts n THR 87 Ca -0.15 -0.29 -0.38 0.00 -3.05 0.00 0.00 64.05 60.18 3kts n THR 87 Cb 0.60 0.06 -0.07 0.00 -1.55 0.00 0.00 70.33 69.37 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 -3.22 4.19 0.42 1.09 3.52 -1.26 -4.81 118.95 118.88 3kts s ARG 88 Ca 0.03 0.17 0.20 0.00 -0.13 0.00 0.00 55.73 56.00 3kts s ARG 88 Cb 0.14 -3.51 0.93 0.00 -1.56 0.00 0.00 34.95 30.94 3kts s ARG 88 CO 0.79 0.02 1.86 0.78 -0.81 0.00 0.00 175.30 177.94 3kts h GLY 89 N 7.42 0.00 2.00 8.12 0.00 -1.96 -2.67 103.07 115.98 3kts h GLY 89 Ca -0.37 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 3kts h GLY 89 CO 0.72 0.00 -0.14 3.43 0.00 0.00 0.00 176.54 180.55 3kts h ASN 90 N 0.00 0.00 -0.11 0.19 -0.26 -1.94 -2.15 115.58 111.30 3kts h ASN 90 Ca -0.00 0.00 -0.19 0.00 -0.56 0.00 0.00 56.30 55.55 3kts h ASN 90 Cb 0.66 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.93 3kts h ASN 90 CO 0.04 0.14 -0.65 0.00 -1.06 0.00 0.00 177.43 175.89 3kts h ALA 91 N 1.86 0.23 -0.71 -0.83 0.00 -1.74 -2.37 119.26 115.71 3kts h ALA 91 Ca -0.00 -0.56 -0.03 0.00 0.00 0.00 0.00 54.91 54.32 3kts h ALA 91 Cb 1.03 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 3kts h ALA 91 CO 0.02 0.52 0.34 0.82 0.00 0.00 0.00 179.25 180.94 3kts h ILE 92 N 0.29 1.23 0.00 0.00 1.08 -1.46 -1.11 117.51 117.54 3kts h ILE 92 Ca -0.05 -0.66 -0.04 0.00 -0.39 0.00 0.00 64.86 63.72 3kts h ILE 92 Cb 1.30 0.36 -0.01 0.00 -3.07 0.00 0.00 36.82 35.41 3kts h ILE 92 CO 0.13 0.28 -0.18 0.24 -0.69 0.00 0.00 178.15 177.93 3kts h MET 93 N 0.99 0.00 0.00 2.37 2.86 -1.41 -2.32 114.93 117.41 3kts h MET 93 Ca 0.24 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.67 3kts h MET 93 Cb 0.12 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.75 3kts h MET 93 CO -0.03 0.18 -1.24 -0.22 1.06 0.00 0.00 176.91 176.66 3kts h LYS 94 N 0.00 0.00 -0.39 1.72 1.63 -1.19 -3.21 116.57 115.13 3kts h LYS 94 Ca -0.00 0.00 -0.09 0.00 -0.85 0.00 0.00 60.65 59.71 3kts h LYS 94 Cb 0.82 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.44 3kts h LYS 94 CO 0.02 0.64 -0.10 0.00 -3.45 0.00 0.00 179.45 176.56 3kts h ALA 95 N 1.14 0.53 -0.63 5.00 0.00 -0.99 -2.86 119.26 121.45 3kts h ALA 95 Ca -0.13 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 3kts h ALA 95 Cb 1.77 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.39 3kts h ALA 95 CO 0.09 0.40 0.31 0.87 0.00 0.00 0.00 179.25 180.92 3kts h LYS 96 N 0.55 0.89 -0.36 0.00 1.57 -1.55 0.15 116.57 117.82 3kts h LYS 96 Ca 0.10 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3kts h LYS 96 Cb 0.62 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 3kts h LYS 96 CO 0.04 0.69 0.21 1.96 -0.57 0.00 0.00 179.45 181.78 3kts h GLN 97 N 0.89 0.49 -0.61 3.15 4.20 -1.53 -1.04 115.11 120.66 3kts h GLN 97 Ca 0.22 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.89 3kts h GLN 97 Cb 0.09 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.76 3kts h GLN 97 CO -0.03 0.35 0.00 0.72 -0.67 0.00 0.00 178.83 179.20 3kts n HIS 98 N -4.45 0.94 -3.83 2.96 8.25 -0.86 -4.93 115.22 113.30 3kts n HIS 98 Ca 0.02 -0.37 -0.28 0.00 -0.26 0.00 0.00 57.72 56.83 3kts n HIS 98 Cb 0.09 -0.19 0.04 0.00 1.12 0.00 0.00 29.99 31.05 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 0.56 -6.04 -3.78 -0.41 4.76 -0.39 -5.00 118.16 107.86 3kts n LYS 99 Ca 0.16 0.65 -0.26 0.00 -2.87 0.00 0.00 58.31 55.99 3kts n LYS 99 Cb 0.61 -5.56 -0.03 0.00 -1.84 0.00 0.00 35.03 28.21 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 -6.50 3.48 -0.41 1.97 -1.94 0.46 -4.99 119.30 111.37 3kts s MET 100 Ca 0.60 -0.48 -0.28 0.00 -1.71 0.00 0.00 55.69 53.81 3kts s MET 100 Cb -0.29 -2.87 0.00 0.00 2.01 0.00 0.00 34.83 33.68 3kts s MET 100 CO 0.81 0.42 1.54 -1.17 -0.01 0.00 0.00 175.02 176.61 3kts s LEU 101 N -3.50 3.53 -0.40 -0.03 0.20 -1.26 -4.29 118.68 112.94 3kts s LEU 101 Ca 0.37 0.90 -0.07 0.00 0.69 0.00 0.00 54.13 56.02 3kts s LEU 101 Cb -0.11 -3.45 0.08 0.00 -0.43 0.00 0.00 46.19 42.28 3kts s LEU 101 CO 0.30 -1.58 0.21 0.00 -0.29 0.00 0.00 176.35 174.99 3kts s ALA 102 N 6.06 3.19 -0.23 5.97 0.00 -1.26 -0.24 121.76 135.24 3kts s ALA 102 Ca 0.66 -2.17 -0.09 0.00 0.00 0.00 0.00 51.96 50.36 3kts s ALA 102 Cb -0.16 -2.49 -0.04 0.00 0.00 0.00 0.00 23.12 20.43 3kts s ALA 102 CO 0.32 -1.62 0.12 -1.50 0.00 0.00 0.00 175.76 173.07 3kts s ILE 103 N 1.34 5.03 -0.13 0.00 2.07 0.22 -0.92 121.20 128.81 3kts s ILE 103 Ca 0.03 0.06 -0.18 0.00 -1.41 0.00 0.00 60.65 59.15 3kts s ILE 103 Cb -0.22 -3.33 -0.04 0.00 0.13 0.00 0.00 42.46 39.00 3kts s ILE 103 CO 0.00 0.37 0.46 -1.58 -1.91 0.00 0.00 174.94 172.29 3kts s GLN 104 N 0.97 4.31 0.12 3.50 0.74 -0.59 -2.32 119.66 126.39 3kts s GLN 104 Ca 0.06 0.40 -0.14 0.00 0.05 0.00 0.00 55.36 55.73 3kts s GLN 104 Cb -0.14 -3.45 -0.07 0.00 1.10 0.00 0.00 33.01 30.46 3kts s GLN 104 CO 0.03 0.12 0.53 0.50 -0.55 0.00 0.00 175.29 175.92 3kts s ARG 105 N 0.75 3.98 -0.15 1.67 3.52 0.30 0.79 118.95 129.81 3kts s ARG 105 Ca 0.25 0.48 -0.09 0.00 -0.13 0.00 0.00 55.73 56.23 3kts s ARG 105 Cb -0.15 -2.99 0.05 0.00 -1.56 0.00 0.00 34.95 30.30 3kts s ARG 105 CO 0.09 0.52 0.36 -1.17 -0.81 0.00 0.00 175.30 174.29 3kts s LEU 106 N -1.80 0.22 -0.35 -0.88 2.96 0.88 -4.53 118.68 115.18 3kts s LEU 106 Ca 0.35 0.76 -0.11 0.00 -0.22 0.00 0.00 54.13 54.92 3kts s LEU 106 Cb -0.15 1.17 0.01 0.00 0.50 0.00 0.00 46.19 47.72 3kts s LEU 106 CO 0.19 -0.17 0.19 -0.36 -1.32 0.00 0.00 176.35 174.88 3kts s PHE 107 N 1.05 3.22 -0.62 5.38 0.08 -1.26 -1.00 117.98 124.82 3kts s PHE 107 Ca -0.07 -0.75 -0.26 0.00 0.12 0.00 0.00 56.93 55.97 3kts s PHE 107 Cb -0.07 -2.41 -0.03 0.00 -0.57 0.00 0.00 43.02 39.93 3kts s PHE 107 CO -0.08 -0.55 1.93 -1.64 -0.10 0.00 0.00 175.22 174.78 3kts s MET 108 N 1.59 2.55 -0.00 0.44 -1.94 0.12 -4.69 119.30 117.37 3kts s MET 108 Ca 0.03 0.63 -0.05 0.00 -1.71 0.00 0.00 55.69 54.59 3kts s MET 108 Cb -0.18 -4.46 -0.02 0.00 2.01 0.00 0.00 34.83 32.17 3kts s MET 108 CO 0.07 -2.86 -0.10 -0.89 -0.01 0.00 0.00 175.02 171.22 3kts n ILE 109 N 7.36 1.16 -3.63 2.53 5.41 -1.26 -4.60 119.36 126.33 3kts n ILE 109 Ca 0.24 0.25 -0.02 0.00 1.00 0.00 0.00 62.75 64.21 3kts n ILE 109 Cb 0.52 -1.78 -0.00 0.00 -0.71 0.00 0.00 39.64 37.66 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 -3.71 -0.23 0.18 4.38 5.68 -1.26 -5.02 116.55 116.56 3kts n ASP 110 Ca -0.06 -1.31 0.02 0.00 -0.50 0.00 0.00 54.79 52.93 3kts n ASP 110 Cb 0.24 0.43 0.32 0.00 -1.14 0.00 0.00 41.12 40.96 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 0.33 0.00 0.25 -1.12 4.64 -2.00 -1.80 113.55 113.85 3kts h SER 111 Ca -0.05 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.16 3kts h SER 111 Cb 0.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 3kts h SER 111 CO 0.06 0.43 -0.45 -1.28 -0.87 0.00 0.00 176.83 174.72 3kts h SER 112 N 0.00 0.25 0.54 4.97 0.87 -1.99 0.83 113.55 119.03 3kts h SER 112 Ca -0.00 -0.11 -0.24 0.00 -1.23 0.00 0.00 61.79 60.20 3kts h SER 112 Cb 0.76 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 3kts h SER 112 CO 0.06 0.67 -1.08 0.00 -0.53 0.00 0.00 176.83 175.95 3kts h ALA 113 N 1.34 0.26 0.14 6.23 0.00 -1.87 -3.07 119.26 122.29 3kts h ALA 113 Ca 0.01 -0.80 -0.01 0.00 0.00 0.00 0.00 54.91 54.11 3kts h ALA 113 Cb 0.87 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3kts h ALA 113 CO 0.07 0.92 -0.07 -0.92 0.00 0.00 0.00 179.25 179.25 3kts h TYR 114 N 0.13 -0.17 -0.87 0.00 3.20 -1.11 0.57 116.97 118.72 3kts h TYR 114 Ca -0.10 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.76 3kts h TYR 114 Cb 1.76 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 40.05 3kts h TYR 114 CO 0.06 0.17 0.50 -0.91 -1.64 0.00 0.00 178.16 176.34 3kts h ASN 115 N -0.54 1.06 0.70 -2.11 2.35 -0.97 0.28 115.58 116.35 3kts h ASN 115 Ca -0.02 -0.08 -0.17 0.00 -0.55 0.00 0.00 56.30 55.48 3kts h ASN 115 Cb 0.42 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 3kts h ASN 115 CO 0.03 0.83 -0.80 0.11 -1.65 0.00 0.00 177.43 175.96 3kts h LYS 116 N 1.21 0.07 -0.18 0.81 1.57 -1.59 -2.35 116.57 116.11 3kts h LYS 116 Ca 0.31 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.99 3kts h LYS 116 Cb -0.01 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3kts h LYS 116 CO -0.05 0.83 0.03 0.78 -0.57 0.00 0.00 179.45 180.47 3kts h GLY 117 N 2.14 0.32 2.00 3.86 0.00 -0.12 0.27 103.07 111.53 3kts h GLY 117 Ca -0.02 -0.21 -0.08 0.00 0.00 0.00 0.00 47.33 47.03 3kts h GLY 117 CO 0.11 0.19 -0.36 -0.39 0.00 0.00 0.00 176.54 176.10 3kts h VAL 118 N 0.09 0.91 -0.19 4.60 -1.51 -0.51 -0.59 116.25 119.05 3kts h VAL 118 Ca 0.05 -1.41 -0.20 0.00 -1.23 0.00 0.00 66.70 63.91 3kts h VAL 118 Cb 0.30 1.85 0.00 0.00 -2.13 0.00 0.00 31.29 31.32 3kts h VAL 118 CO 0.00 0.35 -0.68 0.00 -1.23 0.00 0.00 177.57 176.01 3kts h ALA 119 N 1.64 0.44 -0.46 5.19 0.00 -1.34 -1.85 119.26 122.89 3kts h ALA 119 Ca -0.00 -0.57 -0.09 0.00 0.00 0.00 0.00 54.91 54.25 3kts h ALA 119 Cb 0.82 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3kts h ALA 119 CO 0.05 0.69 -0.06 1.25 0.00 0.00 0.00 179.25 181.18 3kts h LEU 120 N 0.53 0.85 -0.40 0.00 5.85 -0.50 -1.38 115.31 120.26 3kts h LEU 120 Ca -0.02 -0.34 -0.03 0.00 0.84 0.00 0.00 57.88 58.33 3kts h LEU 120 Cb 1.28 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 3kts h LEU 120 CO 0.14 0.99 0.14 0.40 -0.34 0.00 0.00 178.44 179.76 3kts h ILE 121 N 0.69 1.21 -0.58 4.05 2.04 -1.17 -0.61 117.51 123.14 3kts h ILE 121 Ca 0.12 -0.66 0.12 0.00 1.00 0.00 0.00 64.86 65.45 3kts h ILE 121 Cb 0.59 0.89 -0.11 0.00 -0.74 0.00 0.00 36.82 37.46 3kts h ILE 121 CO 0.04 0.23 -0.08 -0.61 0.00 0.00 0.00 178.15 177.73 3kts h GLN 122 N 0.49 0.05 -0.13 2.37 5.75 -1.22 -0.65 115.11 121.77 3kts h GLN 122 Ca 0.13 -0.00 -0.19 0.00 -0.15 0.00 0.00 58.65 58.44 3kts h GLN 122 Cb 0.22 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 28.76 3kts h GLN 122 CO -0.01 0.03 -0.69 -0.22 -2.65 0.00 0.00 178.83 175.29 3kts h LYS 123 N 0.05 0.56 0.00 1.69 3.64 -0.73 -3.35 116.57 118.42 3kts h LYS 123 Ca 0.29 -0.43 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 3kts h LYS 123 Cb 0.46 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 3kts h LYS 123 CO -0.56 1.05 -1.28 1.33 -2.27 0.00 0.00 179.45 177.73 3kts n VAL 124 N -3.90 0.00 -3.68 2.00 0.24 -0.28 -5.05 118.33 107.66 3kts n VAL 124 Ca -0.05 -0.25 -0.29 0.00 -2.04 0.00 0.00 64.34 61.71 3kts n VAL 124 Cb 0.69 0.55 0.01 0.00 -1.47 0.00 0.00 33.84 33.62 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 -1.74 -1.64 -1.75 7.34 1.13 -0.26 -4.81 117.38 115.65 3kts n GLN 125 Ca -0.00 0.95 -0.30 0.00 -1.94 0.00 0.00 57.00 55.70 3kts n GLN 125 Cb 0.35 -2.10 0.06 0.00 0.11 0.00 0.00 30.24 28.66 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 -4.10 2.62 0.47 -1.09 0.04 -1.26 -4.94 135.00 126.74 3kts s PRO 126 Ca 0.13 0.57 0.25 0.00 0.04 0.00 0.00 61.00 61.98 3kts s PRO 126 Cb -0.01 -1.99 1.16 0.00 0.04 0.00 0.00 34.50 33.70 3kts s PRO 126 CO 0.88 -1.23 1.94 -0.44 0.04 0.00 0.00 177.00 178.19 3kts h ASP 127 N -0.80 0.00 -4.62 6.66 3.32 -1.39 -3.46 116.42 116.13 3kts h ASP 127 Ca -0.46 0.00 0.10 0.00 0.02 0.00 0.00 57.03 56.69 3kts h ASP 127 Cb 1.25 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.65 3kts h ASP 127 CO 0.62 0.19 0.48 0.00 -1.72 0.00 0.00 179.24 178.81 3kts s ILE 129 N -2.95 1.32 -0.39 0.00 -4.36 -0.61 -1.54 121.20 112.67 3kts s ILE 129 Ca 0.04 -0.78 -0.13 0.00 -0.26 0.00 0.00 60.65 59.51 3kts s ILE 129 Cb -0.01 -1.11 0.02 0.00 1.25 0.00 0.00 42.46 42.60 3kts s ILE 129 CO -0.08 0.32 0.25 -0.70 0.24 0.00 0.00 174.94 174.97 3kts s GLU 130 N -0.54 2.98 -0.06 0.37 2.12 0.24 0.13 118.70 123.93 3kts s GLU 130 Ca 0.06 -0.99 -0.14 0.00 0.36 0.00 0.00 54.97 54.25 3kts s GLU 130 Cb -0.07 -3.85 -0.05 0.00 0.26 0.00 0.00 34.13 30.42 3kts s GLU 130 CO -0.00 -0.69 0.37 -0.51 -0.54 0.00 0.00 175.26 173.89 3kts s LEU 131 N 1.64 4.39 -0.01 2.70 1.02 0.13 -0.08 118.68 128.46 3kts s LEU 131 Ca 0.04 0.79 0.02 0.00 0.02 0.00 0.00 54.13 55.00 3kts s LEU 131 Cb -0.19 -2.51 -0.00 0.00 0.02 0.00 0.00 46.19 43.51 3kts s LEU 131 CO 0.09 0.23 -0.06 -0.76 0.02 0.00 0.00 176.35 175.87 3kts s LEU 132 N -0.47 1.97 0.79 1.79 1.02 -0.17 -1.31 118.68 122.30 3kts s LEU 132 Ca 0.22 -0.11 -0.11 0.00 0.02 0.00 0.00 54.13 54.14 3kts s LEU 132 Cb -0.15 -0.33 0.06 0.00 0.02 0.00 0.00 46.19 45.79 3kts s LEU 132 CO 0.10 0.07 1.09 -2.16 0.02 0.00 0.00 176.35 175.47 3kts s PRO 133 N -0.09 2.18 -0.46 1.29 0.04 -1.26 0.14 135.00 136.84 3kts s PRO 133 Ca 0.02 0.75 0.03 0.00 0.04 0.00 0.00 61.00 61.83 3kts s PRO 133 Cb -0.03 -1.92 0.62 0.00 0.04 0.00 0.00 34.50 33.21 3kts s PRO 133 CO -0.00 -1.58 1.91 0.41 0.04 0.00 0.00 177.00 177.78 3kts n GLY 134 N -1.94 4.60 0.01 0.56 0.00 0.69 -4.31 105.19 104.81 3kts n GLY 134 Ca 0.07 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.07 0.49 -3.54 -0.61 -5.35 -1.26 -4.80 119.36 103.22 3kts n ILE 135 Ca 0.59 -0.75 -0.41 0.00 -0.27 0.00 0.00 62.75 61.91 3kts n ILE 135 Cb 1.52 0.75 -0.06 0.00 -1.74 0.00 0.00 39.64 40.11 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 -0.50 4.53 -0.01 7.28 1.01 -1.26 -4.95 121.20 127.30 3kts s ILE 136 Ca 0.00 -2.59 0.20 0.00 0.00 0.00 0.00 60.65 58.26 3kts s ILE 136 Cb 0.00 -3.89 0.16 0.00 0.01 0.00 0.00 42.46 38.75 3kts s ILE 136 CO 0.00 -0.92 1.65 -0.65 0.00 0.00 0.00 174.94 175.02 3kts h PRO 137 N 7.54 0.00 -0.57 2.79 0.11 -1.93 -3.10 132.00 136.84 3kts h PRO 137 Ca -0.00 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.02 3kts h PRO 137 Cb 1.00 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 3kts h PRO 137 CO 0.75 0.34 -0.01 1.49 -0.21 0.00 0.00 178.00 180.36 3kts h GLU 138 N 0.00 0.99 -0.02 1.05 4.81 -1.96 -2.00 114.58 117.46 3kts h GLU 138 Ca -0.00 -0.31 -0.11 0.00 -0.13 0.00 0.00 59.36 58.81 3kts h GLU 138 Cb 1.03 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.31 3kts h GLU 138 CO 0.04 0.98 -0.50 1.96 -0.73 0.00 0.00 179.01 180.77 3kts h GLN 139 N 0.91 0.05 -0.59 1.92 1.08 -1.97 -1.39 115.11 115.11 3kts h GLN 139 Ca 0.16 -0.03 -0.10 0.00 -1.45 0.00 0.00 58.65 57.24 3kts h GLN 139 Cb 0.55 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.96 3kts h GLN 139 CO 0.03 0.53 -0.02 0.28 -0.95 0.00 0.00 178.83 178.70 3kts h VAL 140 N 0.04 1.27 -0.56 -0.54 2.07 -1.47 -1.10 116.25 115.95 3kts h VAL 140 Ca -0.00 -1.17 -0.11 0.00 0.82 0.00 0.00 66.70 66.24 3kts h VAL 140 Cb 0.89 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 3kts h VAL 140 CO 0.07 0.42 -0.08 -0.61 0.02 0.00 0.00 177.57 177.39 3kts h GLN 141 N 0.94 1.05 -0.66 1.57 4.15 -1.10 -1.61 115.11 119.44 3kts h GLN 141 Ca 0.16 -0.37 0.04 0.00 0.77 0.00 0.00 58.65 59.25 3kts h GLN 141 Cb 0.58 -0.07 -0.05 0.00 0.21 0.00 0.00 27.48 28.15 3kts h GLN 141 CO 0.03 1.07 0.40 0.87 -1.93 0.00 0.00 178.83 179.27 3kts h LYS 142 N 0.93 0.74 -0.33 1.69 1.57 -1.09 -2.00 116.57 118.09 3kts h LYS 142 Ca 0.15 -0.04 -0.17 0.00 -1.87 0.00 0.00 60.65 58.71 3kts h LYS 142 Cb 0.65 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 3kts h LYS 142 CO 0.04 0.49 -0.47 0.52 -0.57 0.00 0.00 179.45 179.46 3kts h MET 143 N 0.77 0.88 0.00 3.15 2.86 -1.03 0.20 114.93 121.76 3kts h MET 143 Ca 0.27 -0.51 -0.01 0.00 -2.06 0.00 0.00 59.70 57.38 3kts h MET 143 Cb 0.07 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.77 3kts h MET 143 CO -0.13 1.16 -0.07 1.79 1.06 0.00 0.00 176.91 180.73 3kts h THR 144 N 0.70 0.18 0.00 2.22 1.35 -1.24 -2.99 112.91 113.12 3kts h THR 144 Ca 0.04 -0.66 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 3kts h THR 144 Cb 1.07 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 69.04 3kts h THR 144 CO 0.11 0.06 -1.03 0.00 -0.25 0.00 0.00 175.52 174.41 3kts n GLN 145 N -3.20 0.03 -0.02 4.72 6.02 -0.76 -4.33 117.38 119.84 3kts n GLN 145 Ca 0.00 -0.01 -0.13 0.00 -0.01 0.00 0.00 57.00 56.86 3kts n GLN 145 Cb 0.33 -1.50 -0.10 0.00 1.02 0.00 0.00 30.24 29.98 3kts n GLN 145 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 3kts h LYS 146 N 0.00 -0.04 -4.53 -1.09 1.79 -0.45 -3.47 116.57 108.78 3kts h LYS 146 Ca 0.00 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.26 3kts h LYS 146 Cb 0.52 0.01 -0.16 0.00 -1.58 0.00 0.00 32.23 31.01 3kts h LYS 146 CO 0.00 0.61 -0.70 -1.17 -1.08 0.00 0.00 179.45 177.11 3kts s LEU 147 N -8.81 2.45 -1.32 2.94 2.96 -1.17 -5.07 118.68 110.65 3kts s LEU 147 Ca -0.16 -0.91 -0.09 0.00 -0.22 0.00 0.00 54.13 52.75 3kts s LEU 147 Cb -0.00 -0.03 0.13 0.00 0.50 0.00 0.00 46.19 46.79 3kts s LEU 147 CO 0.63 -0.44 2.05 1.57 -1.32 0.00 0.00 176.35 178.85 3kts n HIS 148 N 0.31 2.91 -4.92 5.38 -0.00 -1.26 -4.40 115.22 113.24 3kts n HIS 148 Ca -0.15 -2.83 -0.30 0.00 0.46 0.00 0.00 57.72 54.91 3kts n HIS 148 Cb 0.60 -2.02 -0.17 0.00 -0.12 0.00 0.00 29.99 28.28 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 0.52 1.77 0.29 3.57 1.01 -1.26 -5.12 121.20 121.98 3kts s ILE 149 Ca 0.44 -0.84 -0.29 0.00 0.00 0.00 0.00 60.65 59.95 3kts s ILE 149 Cb 0.12 -1.56 -0.10 0.00 0.01 0.00 0.00 42.46 40.93 3kts s ILE 149 CO -0.03 0.50 1.41 -2.84 0.00 0.00 0.00 174.94 173.98 3kts s PRO 150 N 0.55 4.27 0.06 2.79 0.02 -1.26 -4.74 135.00 136.69 3kts s PRO 150 Ca -0.15 2.32 0.05 0.00 0.02 0.00 0.00 61.00 63.23 3kts s PRO 150 Cb -0.17 -3.08 -0.04 0.00 0.02 0.00 0.00 34.50 31.23 3kts s PRO 150 CO 0.05 -0.37 -0.05 0.14 -0.33 0.00 0.00 177.00 176.44 3kts s VAL 151 N -0.45 3.73 -0.10 3.83 -7.23 -1.26 -1.57 120.40 117.34 3kts s VAL 151 Ca 0.56 -0.96 -0.03 0.00 -1.81 0.00 0.00 61.98 59.73 3kts s VAL 151 Cb -0.42 -2.71 -0.04 0.00 0.56 0.00 0.00 36.38 33.78 3kts s VAL 151 CO 0.48 0.23 0.04 -0.63 -0.31 0.00 0.00 175.10 174.92 3kts s ILE 152 N -1.16 4.67 -0.04 -0.62 -1.09 0.34 -1.47 121.20 121.83 3kts s ILE 152 Ca 0.21 -0.11 -0.02 0.00 -2.23 0.00 0.00 60.65 58.50 3kts s ILE 152 Cb -0.11 -2.99 -0.04 0.00 -1.58 0.00 0.00 42.46 37.74 3kts s ILE 152 CO 0.13 0.61 0.09 0.00 -1.23 0.00 0.00 174.94 174.53 3kts s ALA 153 N -0.91 3.61 0.09 9.38 0.00 -1.17 0.18 121.76 132.95 3kts s ALA 153 Ca 0.14 -0.81 -0.14 0.00 0.00 0.00 0.00 51.96 51.14 3kts s ALA 153 Cb -0.12 -1.65 0.02 0.00 0.00 0.00 0.00 23.12 21.38 3kts s ALA 153 CO 0.03 0.67 0.33 0.20 0.00 0.00 0.00 175.76 176.98 3kts s GLY 154 N -1.50 -0.15 0.00 0.00 0.00 -0.43 -0.52 107.32 104.72 3kts s GLY 154 Ca 0.20 -0.16 0.00 0.00 0.00 0.00 0.00 44.72 44.76 3kts s GLY 154 CO 0.11 -0.40 0.00 0.61 0.00 0.00 0.00 173.10 173.42 3kts n GLY 155 N 0.02 -1.20 2.47 0.20 0.00 -1.25 -0.22 105.19 105.21 3kts n GLY 155 Ca -0.16 -1.25 -0.20 0.00 0.00 0.00 0.00 46.02 44.41 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 -0.50 -1.60 -4.63 0.99 4.77 -1.26 -1.65 117.00 113.12 3kts n LEU 156 Ca 0.00 0.30 -0.38 0.00 -0.03 0.00 0.00 56.01 55.90 3kts n LEU 156 Cb 0.00 -2.78 -0.09 0.00 -2.33 0.00 0.00 43.42 38.22 3kts n LEU 156 CO 0.00 -0.70 0.01 -0.63 -1.33 0.00 0.00 177.39 174.73 3kts s ILE 157 N -2.80 5.23 -0.00 -0.08 1.09 -1.26 -4.85 121.20 118.53 3kts s ILE 157 Ca 0.00 0.49 -0.00 0.00 -1.10 0.00 0.00 60.65 60.04 3kts s ILE 157 Cb 0.00 -3.65 -0.00 0.00 -1.06 0.00 0.00 42.46 37.75 3kts s ILE 157 CO 0.00 0.22 -0.00 -0.62 -0.10 0.00 0.00 174.94 174.44 3kts n GLU 158 N 4.91 0.00 -4.16 2.79 1.02 -1.26 -4.75 120.64 119.19 3kts n GLU 158 Ca -0.10 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.81 3kts n GLU 158 Cb 0.51 -0.74 -0.05 0.00 -0.02 0.00 0.00 31.44 31.14 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 -2.00 4.18 -0.01 2.62 -4.23 -1.26 -4.82 115.64 110.12 3kts s THR 159 Ca -0.00 -1.49 0.31 0.00 -1.18 0.00 0.00 61.69 59.33 3kts s THR 159 Cb 0.00 -3.24 0.38 0.00 1.34 0.00 0.00 72.50 70.98 3kts s THR 159 CO 0.00 -0.32 1.91 0.28 -0.54 0.00 0.00 174.62 175.95 3kts h SER 160 N 1.73 0.00 -0.13 3.99 0.02 -1.98 -2.53 113.55 114.65 3kts h SER 160 Ca -0.47 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.47 3kts h SER 160 Cb 1.24 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.77 3kts h SER 160 CO 0.61 0.00 0.07 -0.33 -1.14 0.00 0.00 176.83 176.04 3kts h GLU 161 N 0.00 0.18 -0.82 3.45 3.07 -1.98 0.25 114.58 118.73 3kts h GLU 161 Ca -0.00 -0.02 0.01 0.00 -0.50 0.00 0.00 59.36 58.85 3kts h GLU 161 Cb 0.62 -0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 28.45 3kts h GLU 161 CO 0.00 0.20 0.54 1.96 -1.40 0.00 0.00 179.01 180.32 3kts h GLN 162 N 0.10 1.07 -0.12 2.33 4.20 -1.90 0.76 115.11 121.56 3kts h GLN 162 Ca 0.04 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.70 3kts h GLN 162 Cb 0.08 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.60 3kts h GLN 162 CO -0.01 0.71 0.03 0.28 -0.67 0.00 0.00 178.83 179.17 3kts h VAL 163 N 1.10 0.96 0.00 -0.54 2.07 -1.22 -2.95 116.25 115.67 3kts h VAL 163 Ca 0.30 -0.03 -0.14 0.00 0.82 0.00 0.00 66.70 67.65 3kts h VAL 163 Cb -0.12 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 3kts h VAL 163 CO -0.07 0.02 -0.67 0.78 0.02 0.00 0.00 177.57 177.65 3kts h ASN 164 N 0.08 0.00 -0.03 0.57 4.21 -0.70 -2.84 115.58 116.88 3kts h ASN 164 Ca 0.05 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.56 3kts h ASN 164 Cb 0.04 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.24 3kts h ASN 164 CO -0.07 0.67 0.01 1.56 -1.29 0.00 0.00 177.43 178.31 3kts h GLN 165 N 0.00 0.05 -0.04 0.81 4.20 -0.79 -0.26 115.11 119.08 3kts h GLN 165 Ca -0.01 -0.01 -0.11 0.00 0.06 0.00 0.00 58.65 58.58 3kts h GLN 165 Cb 1.31 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.06 3kts h GLN 165 CO 0.09 0.24 -0.49 -0.24 -0.67 0.00 0.00 178.83 177.75 3kts h VAL 166 N -0.14 1.35 -0.37 -0.54 3.04 -1.59 -0.39 116.25 117.61 3kts h VAL 166 Ca 0.01 -1.71 -0.12 0.00 -1.01 0.00 0.00 66.70 63.86 3kts h VAL 166 Cb 0.21 1.88 -0.01 0.00 -2.01 0.00 0.00 31.29 31.35 3kts h VAL 166 CO -0.00 0.50 -0.27 0.40 -1.01 0.00 0.00 177.57 177.19 3kts h ILE 167 N 0.08 1.28 0.00 3.17 2.04 -1.39 -0.33 117.51 122.36 3kts h ILE 167 Ca 0.00 -1.40 -0.04 0.00 1.00 0.00 0.00 64.86 64.42 3kts h ILE 167 Cb 0.91 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 3kts h ILE 167 CO 0.07 0.46 -0.21 0.00 0.00 0.00 0.00 178.15 178.48 3kts h ALA 168 N 1.04 0.95 0.00 1.87 0.00 -0.80 -3.16 119.26 119.16 3kts h ALA 168 Ca 0.08 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3kts h ALA 168 Cb 0.79 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3kts h ALA 168 CO 0.07 0.26 -0.39 0.77 0.00 0.00 0.00 179.25 179.95 3kts h SER 169 N 0.00 0.00 0.00 0.00 0.02 -0.58 -3.47 113.55 109.51 3kts h SER 169 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3kts h SER 169 Cb 0.87 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.41 3kts h SER 169 CO 0.03 0.22 0.00 0.61 -1.14 0.00 0.00 176.83 176.54 3kts n GLY 170 N 1.17 0.40 3.66 -3.77 0.00 -0.46 -3.64 105.19 102.55 3kts n GLY 170 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 3.63 0.30 4.61 0.00 -0.26 -4.60 121.76 125.45 3kts s ALA 171 Ca 0.00 0.82 0.05 0.00 0.00 0.00 0.00 51.96 52.83 3kts s ALA 171 Cb 0.00 -3.70 0.49 0.00 0.00 0.00 0.00 23.12 19.91 3kts s ALA 171 CO 0.00 -1.29 1.74 0.97 0.00 0.00 0.00 175.76 177.19 3kts h ILE 172 N 5.47 1.27 -4.34 0.00 2.10 -1.58 -3.38 117.51 117.05 3kts h ILE 172 Ca -0.36 -1.30 -0.35 0.00 1.08 0.00 0.00 64.86 63.93 3kts h ILE 172 Cb 1.16 1.47 -0.09 0.00 -1.09 0.00 0.00 36.82 38.27 3kts h ILE 172 CO 0.95 0.40 -0.25 0.00 -1.08 0.00 0.00 178.15 178.17 3kts s ALA 173 N -4.38 1.13 -0.07 0.18 0.00 -1.26 -4.75 121.76 112.61 3kts s ALA 173 Ca -0.06 -1.71 0.01 0.00 0.00 0.00 0.00 51.96 50.20 3kts s ALA 173 Cb 0.14 1.24 0.02 0.00 0.00 0.00 0.00 23.12 24.51 3kts s ALA 173 CO 0.77 -0.76 -0.09 0.08 0.00 0.00 0.00 175.76 175.76 3kts s VAL 174 N -3.00 0.92 -0.08 0.00 1.01 -0.95 -3.07 120.40 115.23 3kts s VAL 174 Ca 0.33 -0.32 -0.16 0.00 0.00 0.00 0.00 61.98 61.83 3kts s VAL 174 Cb -0.00 -0.89 -0.05 0.00 0.00 0.00 0.00 36.38 35.44 3kts s VAL 174 CO 0.24 0.32 0.43 0.42 0.00 0.00 0.00 175.10 176.50 3kts s THR 175 N 1.00 5.14 0.00 3.92 -4.23 0.32 0.08 115.64 121.87 3kts s THR 175 Ca -0.09 0.86 -0.19 0.00 -1.18 0.00 0.00 61.69 61.09 3kts s THR 175 Cb -0.15 -3.75 0.04 0.00 1.34 0.00 0.00 72.50 69.98 3kts s THR 175 CO -0.00 0.42 0.42 0.28 -0.54 0.00 0.00 174.62 175.20 3kts s THR 176 N 0.01 0.05 -0.82 3.99 -1.32 -0.85 -3.81 115.64 112.89 3kts s THR 176 Ca 0.24 -0.39 0.08 0.00 -1.21 0.00 0.00 61.69 60.41 3kts s THR 176 Cb -0.15 -0.82 0.02 0.00 -1.51 0.00 0.00 72.50 70.04 3kts s THR 176 CO 0.10 -0.21 0.62 -1.54 -2.21 0.00 0.00 174.62 171.39 3kts n SER 177 N 0.90 1.28 -4.56 8.08 3.41 -1.26 0.30 113.62 121.77 3kts n SER 177 Ca -0.20 -1.14 -0.37 0.00 -0.26 0.00 0.00 58.87 56.90 3kts n SER 177 Cb 0.58 0.30 -0.04 0.00 -0.26 0.00 0.00 64.21 64.79 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 -0.98 5.91 0.61 4.04 3.04 -1.26 -4.87 114.94 121.42 3kts s ASN 178 Ca 0.08 -0.80 0.27 0.00 0.04 0.00 0.00 52.86 52.44 3kts s ASN 178 Cb 0.06 -2.56 1.20 0.00 -1.54 0.00 0.00 41.25 38.41 3kts s ASN 178 CO 0.16 -2.02 1.61 0.11 -3.04 0.00 0.00 177.10 173.92 3kts h LYS 179 N 10.94 0.00 0.00 0.43 1.57 -1.97 -0.23 116.57 127.31 3kts h LYS 179 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3kts h LYS 179 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.35 3kts h LYS 179 CO 1.31 0.00 0.00 0.45 -0.57 0.00 0.00 179.45 180.64 3kts h HIS 180 N 0.00 0.00 -0.53 -1.35 3.86 -1.95 -3.01 115.15 112.17 3kts h HIS 180 Ca 0.30 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.51 3kts h HIS 180 Cb 1.89 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.36 3kts h HIS 180 CO 0.00 0.00 0.00 1.28 0.86 0.00 0.00 177.93 180.07 3kts n LEU 181 N -2.76 3.82 0.05 2.43 4.77 -0.10 -4.28 117.00 120.93 3kts n LEU 181 Ca 0.02 -2.22 -0.02 0.00 -0.03 0.00 0.00 56.01 53.76 3kts n LEU 181 Cb 0.34 -0.43 -0.07 0.00 -2.33 0.00 0.00 43.42 40.92 3kts n LEU 181 CO 0.27 0.82 -0.08 -0.50 -1.33 0.00 0.00 177.39 176.57 3kts h TRP 182 N 3.22 0.00 0.00 -1.77 6.55 -1.65 -3.36 115.95 118.95 3kts h TRP 182 Ca 0.00 0.00 -0.03 0.00 0.95 0.00 0.00 58.89 59.81 3kts h TRP 182 Cb 1.07 0.00 -0.07 0.00 -0.86 0.00 0.00 29.16 29.30 3kts h TRP 182 CO 0.48 0.70 -0.49 0.39 -1.05 0.00 0.00 178.44 178.47 3kts n GLU 183 N -3.07 1.08 -0.09 0.49 1.02 -1.26 -4.83 120.64 113.98 3kts n GLU 183 Ca -0.07 -2.70 -0.23 0.00 -0.02 0.00 0.00 57.16 54.15 3kts n GLU 183 Cb 0.87 -1.19 -0.12 0.00 -0.02 0.00 0.00 31.44 30.98 3kts n GLU 183 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kts n GLY 184 N -0.79 -0.73 0.00 0.62 0.00 -1.26 -5.17 105.19 97.87 3kts n GLY 184 Ca 0.14 0.01 0.16 0.00 0.00 0.00 0.00 46.02 46.33 3kts n GLY 184 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74