#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ktd s ILE 6 N 0.00 5.02 -1.07 2.12 1.01 -1.26 -4.94 121.20 122.08 3ktd s ILE 6 Ca 0.00 1.07 0.26 0.00 0.00 0.00 0.00 60.65 61.98 3ktd s ILE 6 Cb 0.00 -3.90 0.25 0.00 0.01 0.00 0.00 42.46 38.82 3ktd s ILE 6 CO 0.00 0.08 1.83 -1.54 0.00 0.00 0.00 174.94 175.31 3ktd n SER 7 N 5.40 0.00 -4.28 3.58 3.41 -1.26 -4.81 113.62 115.67 3ktd n SER 7 Ca -0.02 0.41 -0.22 0.00 -0.26 0.00 0.00 58.87 58.78 3ktd n SER 7 Cb 0.49 -0.47 -0.12 0.00 -0.26 0.00 0.00 64.21 63.86 3ktd n SER 7 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3ktd s ARG 8 N -2.93 1.11 0.32 4.33 0.52 -1.26 -5.12 118.95 115.92 3ktd s ARG 8 Ca 0.14 -1.19 -0.28 0.00 -0.52 0.00 0.00 55.73 53.88 3ktd s ARG 8 Cb 0.17 -1.26 -0.10 0.00 0.52 0.00 0.00 34.95 34.28 3ktd s ARG 8 CO 0.46 0.28 1.19 -1.25 0.02 0.00 0.00 175.30 176.00 3ktd s PRO 9 N -2.14 4.41 -0.01 3.54 0.04 -1.26 -4.77 135.00 134.82 3ktd s PRO 9 Ca 0.07 1.97 -0.20 0.00 0.04 0.00 0.00 61.00 62.89 3ktd s PRO 9 Cb -0.09 -3.04 -0.05 0.00 0.04 0.00 0.00 34.50 31.36 3ktd s PRO 9 CO 0.04 -0.05 0.57 0.08 0.04 0.00 0.00 177.00 177.68 3ktd s VAL 10 N -1.21 4.92 -0.31 -0.36 1.01 -0.64 -1.61 120.40 122.21 3ktd s VAL 10 Ca 0.49 1.19 0.04 0.00 0.00 0.00 0.00 61.98 63.69 3ktd s VAL 10 Cb -0.35 -3.90 0.09 0.00 0.00 0.00 0.00 36.38 32.22 3ktd s VAL 10 CO 0.45 0.43 -0.00 0.00 0.00 0.00 0.00 175.10 175.98 3ktd s ILE 12 N 0.97 5.04 -0.39 0.00 1.01 -0.20 -0.71 121.20 126.91 3ktd s ILE 12 Ca 0.04 0.84 -0.14 0.00 0.00 0.00 0.00 60.65 61.40 3ktd s ILE 12 Cb -0.19 -3.87 0.01 0.00 0.01 0.00 0.00 42.46 38.41 3ktd s ILE 12 CO -0.07 0.02 0.27 -0.76 0.00 0.00 0.00 174.94 174.40 3ktd s LEU 13 N 2.38 4.89 0.00 2.97 1.02 0.58 -0.78 118.68 129.75 3ktd s LEU 13 Ca 0.22 -0.81 0.00 0.00 0.02 0.00 0.00 54.13 53.56 3ktd s LEU 13 Cb -0.15 -2.13 0.00 0.00 0.02 0.00 0.00 46.19 43.93 3ktd s LEU 13 CO 0.10 -0.39 0.00 0.61 0.02 0.00 0.00 176.35 176.69 3ktd n GLY 14 N 5.12 0.91 2.72 -3.19 0.00 -0.10 -0.67 105.19 109.97 3ktd n GLY 14 Ca -0.12 -1.19 -0.24 0.00 0.00 0.00 0.00 46.02 44.47 3ktd n GLY 14 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ktd n LEU 15 N -0.01 3.43 0.00 0.99 4.77 -1.24 -4.30 117.00 120.64 3ktd n LEU 15 Ca 0.00 -5.49 0.00 0.00 -0.03 0.00 0.00 56.01 50.49 3ktd n LEU 15 Cb 0.00 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 3ktd n LEU 15 CO 0.00 2.34 0.00 0.61 -1.33 0.00 0.00 177.39 179.01 3ktd n GLY 16 N -0.09 1.89 0.37 -0.72 0.00 -1.26 -3.21 105.19 102.18 3ktd n GLY 16 Ca 0.29 -1.92 -0.05 0.00 0.00 0.00 0.00 46.02 44.34 3ktd n GLY 16 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3ktd h LEU 17 N 0.00 -1.35 0.23 0.99 5.85 -1.71 0.37 115.31 119.69 3ktd h LEU 17 Ca 0.00 0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.97 3ktd h LEU 17 Cb 0.00 0.66 0.00 0.00 0.37 0.00 0.00 40.66 41.70 3ktd h LEU 17 CO 0.00 -0.31 -0.11 0.40 -0.34 0.00 0.00 178.44 178.09 3ktd h ILE 18 N -0.13 0.20 -0.43 4.05 1.08 -1.92 -2.88 117.51 117.47 3ktd h ILE 18 Ca 0.25 -0.88 0.00 0.00 -0.39 0.00 0.00 64.86 63.84 3ktd h ILE 18 Cb 0.56 0.36 -0.02 0.00 -3.07 0.00 0.00 36.82 34.65 3ktd h ILE 18 CO -0.77 0.06 0.27 1.23 -0.69 0.00 0.00 178.15 178.25 3ktd h GLY 19 N -1.05 0.61 0.85 5.37 0.00 -1.73 -1.00 103.07 106.13 3ktd h GLY 19 Ca -0.03 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.05 3ktd h GLY 19 CO 0.05 0.23 0.02 -1.33 0.00 0.00 0.00 176.54 175.52 3ktd h GLY 20 N 0.58 0.10 0.95 4.60 0.00 -0.41 -0.54 103.07 108.34 3ktd h GLY 20 Ca 0.16 -0.05 0.09 0.00 0.00 0.00 0.00 47.33 47.53 3ktd h GLY 20 CO -0.03 0.05 0.46 1.76 0.00 0.00 0.00 176.54 178.78 3ktd h SER 21 N -0.06 0.54 -0.22 0.19 0.02 -1.39 0.07 113.55 112.69 3ktd h SER 21 Ca 0.02 0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.89 3ktd h SER 21 Cb 0.17 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.60 3ktd h SER 21 CO -0.00 0.32 -0.23 0.25 -1.14 0.00 0.00 176.83 176.03 3ktd h LEU 22 N 0.60 0.58 -0.55 5.07 5.85 -0.79 -1.83 115.31 124.24 3ktd h LEU 22 Ca 0.32 -0.48 0.01 0.00 0.84 0.00 0.00 57.88 58.56 3ktd h LEU 22 Cb 0.47 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 3ktd h LEU 22 CO -0.11 0.94 0.36 0.25 -0.34 0.00 0.00 178.44 179.55 3ktd h LEU 23 N 0.23 0.63 -0.29 2.25 5.85 -0.25 -0.76 115.31 122.97 3ktd h LEU 23 Ca 0.03 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 3ktd h LEU 23 Cb 0.79 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 3ktd h LEU 23 CO 0.06 0.46 0.07 0.03 -0.34 0.00 0.00 178.44 178.71 3ktd h ARG 24 N 0.74 0.47 -0.41 1.25 3.08 -1.00 -1.11 114.38 117.40 3ktd h ARG 24 Ca 0.20 -0.11 -0.12 0.00 0.07 0.00 0.00 59.98 60.02 3ktd h ARG 24 Cb -0.08 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 3ktd h ARG 24 CO -0.04 0.55 -0.21 -0.44 -1.07 0.00 0.00 179.97 178.76 3ktd h ASP 25 N 0.31 0.82 -0.00 7.04 3.32 -1.13 -0.23 116.42 126.55 3ktd h ASP 25 Ca 0.09 -0.29 -0.10 0.00 0.02 0.00 0.00 57.03 56.75 3ktd h ASP 25 Cb 0.29 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 3ktd h ASP 25 CO 0.00 1.01 -0.29 -0.07 -1.72 0.00 0.00 179.24 178.17 3ktd h LEU 26 N 0.71 0.45 -0.19 1.55 3.38 -1.07 -0.41 115.31 119.72 3ktd h LEU 26 Ca 0.10 -0.16 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 3ktd h LEU 26 Cb 0.73 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3ktd h LEU 26 CO 0.06 0.73 -0.39 -0.74 0.09 0.00 0.00 178.44 178.18 3ktd h HIS 27 N 0.39 0.76 0.03 1.13 2.76 -0.94 0.04 115.15 119.31 3ktd h HIS 27 Ca 0.05 -0.28 0.01 0.00 -2.20 0.00 0.00 60.37 57.96 3ktd h HIS 27 Cb 0.71 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 29.51 3ktd h HIS 27 CO 0.02 1.03 -0.10 0.00 -1.30 0.00 0.00 177.93 177.58 3ktd h ALA 28 N 0.59 -0.14 0.00 5.26 0.00 -0.89 -0.61 119.26 123.48 3ktd h ALA 28 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ktd h ALA 28 Cb 0.99 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3ktd h ALA 28 CO 0.09 -0.61 0.00 0.00 0.00 0.00 0.00 179.25 178.73 3ktd n ALA 29 N -2.34 1.96 -1.78 0.00 0.00 -0.18 -4.86 120.51 113.30 3ktd n ALA 29 Ca -0.06 -0.07 -0.12 0.00 0.00 0.00 0.00 53.44 53.19 3ktd n ALA 29 Cb 0.15 -1.19 -0.03 0.00 0.00 0.00 0.00 19.45 18.39 3ktd n ALA 29 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3ktd n ASN 30 N -0.96 -4.13 -4.91 0.00 5.15 -0.24 -5.02 115.26 105.15 3ktd n ASN 30 Ca 0.09 0.14 -0.30 0.00 -0.60 0.00 0.00 54.58 53.91 3ktd n ASN 30 Cb 0.04 -3.01 -0.04 0.00 -0.53 0.00 0.00 39.78 36.24 3ktd n ASN 30 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 3ktd s HIS 31 N -2.52 3.48 0.02 1.20 2.46 -0.06 -5.01 115.29 114.86 3ktd s HIS 31 Ca 0.00 0.48 -0.30 0.00 0.47 0.00 0.00 55.06 55.71 3ktd s HIS 31 Cb 0.00 -1.95 -0.08 0.00 -0.13 0.00 0.00 32.58 30.42 3ktd s HIS 31 CO 0.00 0.41 1.89 0.45 -2.47 0.00 0.00 174.74 175.02 3ktd s SER 32 N -2.70 6.50 -0.07 9.88 0.15 -1.26 -4.46 113.70 121.74 3ktd s SER 32 Ca 0.40 2.58 -0.23 0.00 0.70 0.00 0.00 55.95 59.40 3ktd s SER 32 Cb -0.12 -2.53 0.05 0.00 -1.71 0.00 0.00 66.02 61.71 3ktd s SER 32 CO 0.26 -1.02 0.52 0.54 1.20 0.00 0.00 173.24 174.74 3ktd s VAL 33 N 4.30 0.02 0.19 4.45 0.11 -1.26 -1.62 120.40 126.59 3ktd s VAL 33 Ca 0.85 -0.17 -0.16 0.00 -2.93 0.00 0.00 61.98 59.57 3ktd s VAL 33 Cb -0.41 -0.81 0.02 0.00 -1.53 0.00 0.00 36.38 33.65 3ktd s VAL 33 CO 0.39 -0.10 0.48 0.72 -3.33 0.00 0.00 175.10 173.26 3ktd s PHE 34 N -0.94 -0.00 0.36 1.54 -0.71 -0.73 -4.64 117.98 112.85 3ktd s PHE 34 Ca -0.10 -0.35 -0.17 0.00 -1.04 0.00 0.00 56.93 55.28 3ktd s PHE 34 Cb -0.03 0.31 0.05 0.00 -1.21 0.00 0.00 43.02 42.15 3ktd s PHE 34 CO 0.06 -0.89 0.81 0.20 -1.34 0.00 0.00 175.22 174.06 3ktd s GLY 35 N -2.90 0.31 -0.06 1.99 0.00 -0.71 -1.03 107.32 104.92 3ktd s GLY 35 Ca 0.11 -0.67 0.03 0.00 0.00 0.00 0.00 44.72 44.19 3ktd s GLY 35 CO -0.02 -0.05 -0.15 -0.47 0.00 0.00 0.00 173.10 172.41 3ktd s TYR 36 N -2.42 1.65 -0.08 1.90 5.04 0.04 -1.16 117.35 122.31 3ktd s TYR 36 Ca 0.16 -0.54 0.04 0.00 -2.44 0.00 0.00 57.07 54.28 3ktd s TYR 36 Cb -0.05 -1.14 0.00 0.00 0.35 0.00 0.00 41.96 41.12 3ktd s TYR 36 CO 0.10 -0.23 -0.20 1.21 -1.34 0.00 0.00 175.55 175.10 3ktd s ASN 37 N 0.31 2.58 0.17 4.32 3.84 -0.50 -0.93 114.94 124.73 3ktd s ASN 37 Ca -0.09 -0.45 -0.13 0.00 0.21 0.00 0.00 52.86 52.40 3ktd s ASN 37 Cb -0.13 -1.05 0.07 0.00 -0.55 0.00 0.00 41.25 39.58 3ktd s ASN 37 CO 0.03 0.13 1.78 -0.09 -2.79 0.00 0.00 177.10 176.16 3ktd h ARG 38 N 6.63 0.80 -6.17 0.43 2.43 -1.88 -3.35 114.38 113.27 3ktd h ARG 38 Ca -0.26 -0.10 -0.59 0.00 -0.81 0.00 0.00 59.98 58.22 3ktd h ARG 38 Cb 1.21 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 30.61 3ktd h ARG 38 CO 0.47 0.62 1.31 0.45 -1.51 0.00 0.00 179.97 181.31 3ktd n SER 39 N -4.59 3.43 -0.34 -3.80 2.88 -1.26 -4.89 113.62 105.05 3ktd n SER 39 Ca 0.03 0.63 -0.03 0.00 -1.33 0.00 0.00 58.87 58.17 3ktd n SER 39 Cb 0.09 -1.46 0.09 0.00 -0.75 0.00 0.00 64.21 62.18 3ktd n SER 39 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 3ktd h ARG 40 N 11.91 1.26 0.23 -1.46 2.43 -1.94 -1.96 114.38 124.84 3ktd h ARG 40 Ca -0.44 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 58.61 3ktd h ARG 40 Cb 1.26 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 30.53 3ktd h ARG 40 CO 0.96 0.89 -0.20 0.77 -1.51 0.00 0.00 179.97 180.87 3ktd h SER 41 N 1.27 -0.54 -0.85 -3.80 0.02 -1.96 -2.36 113.55 105.33 3ktd h SER 41 Ca 0.33 0.05 0.05 0.00 -0.84 0.00 0.00 61.79 61.38 3ktd h SER 41 Cb -0.04 0.18 -0.06 0.00 0.14 0.00 0.00 62.40 62.62 3ktd h SER 41 CO -0.06 -0.31 0.53 1.23 -1.14 0.00 0.00 176.83 177.09 3ktd h GLY 42 N -0.45 1.27 0.99 -3.77 0.00 -1.91 -0.54 103.07 98.66 3ktd h GLY 42 Ca -0.01 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 46.91 3ktd h GLY 42 CO -0.03 0.29 -0.26 0.00 0.00 0.00 0.00 176.54 176.53 3ktd h ALA 43 N 1.39 -0.73 -0.80 3.60 0.00 -1.30 -1.84 119.26 119.59 3ktd h ALA 43 Ca 0.36 -0.16 0.15 0.00 0.00 0.00 0.00 54.91 55.27 3ktd h ALA 43 Cb 0.12 0.29 -0.10 0.00 0.00 0.00 0.00 17.79 18.11 3ktd h ALA 43 CO -0.16 -0.91 0.35 -0.22 0.00 0.00 0.00 179.25 178.32 3ktd h LYS 44 N -0.73 0.48 -0.07 0.00 1.63 -1.13 0.88 116.57 117.64 3ktd h LYS 44 Ca -0.07 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 59.70 3ktd h LYS 44 Cb 0.56 -0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 32.08 3ktd h LYS 44 CO 0.11 0.32 0.03 0.77 -3.45 0.00 0.00 179.45 177.23 3ktd h SER 45 N 0.50 0.09 -0.55 4.20 0.02 -0.90 -0.61 113.55 116.29 3ktd h SER 45 Ca 0.44 -0.11 -0.10 0.00 -0.84 0.00 0.00 61.79 61.19 3ktd h SER 45 Cb 0.68 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.18 3ktd h SER 45 CO -0.40 0.18 -0.03 0.00 -1.14 0.00 0.00 176.83 175.44 3ktd h ALA 46 N 0.92 0.75 -0.69 3.77 0.00 -0.68 -2.04 119.26 121.27 3ktd h ALA 46 Ca 0.02 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 3ktd h ALA 46 Cb 0.11 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3ktd h ALA 46 CO -0.00 0.60 0.30 0.28 0.00 0.00 0.00 179.25 180.42 3ktd h VAL 47 N 0.87 1.23 0.00 0.00 2.07 -0.75 -0.80 116.25 118.87 3ktd h VAL 47 Ca 0.15 -0.69 -0.06 0.00 0.82 0.00 0.00 66.70 66.92 3ktd h VAL 47 Cb 0.58 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 3ktd h VAL 47 CO 0.03 0.28 -0.31 0.44 0.02 0.00 0.00 177.57 178.04 3ktd h ASP 48 N 0.99 0.00 0.51 0.57 3.32 -0.89 -2.65 116.42 118.27 3ktd h ASP 48 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 3ktd h ASP 48 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3ktd h ASP 48 CO -0.03 0.31 -0.10 1.21 -1.72 0.00 0.00 179.24 178.91 3ktd n GLU 49 N -3.51 0.47 0.00 3.56 2.13 -0.79 -4.91 120.64 117.60 3ktd n GLU 49 Ca -0.00 -0.12 0.00 0.00 0.66 0.00 0.00 57.16 57.69 3ktd n GLU 49 Cb 0.46 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.67 3ktd n GLU 49 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ktd n GLY 50 N 1.33 1.59 3.86 8.31 0.00 -1.00 -5.09 105.19 114.19 3ktd n GLY 50 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 3ktd n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ktd s PHE 51 N -2.01 3.59 -0.78 1.61 0.08 -0.36 -4.97 117.98 115.14 3ktd s PHE 51 Ca 0.00 1.32 -0.13 0.00 0.12 0.00 0.00 56.93 58.24 3ktd s PHE 51 Cb 0.00 -2.73 0.20 0.00 -0.57 0.00 0.00 43.02 39.92 3ktd s PHE 51 CO 0.00 -0.61 0.71 0.34 -0.10 0.00 0.00 175.22 175.56 3ktd s ASP 52 N -3.92 6.57 0.06 1.36 -1.08 -1.26 -3.81 116.67 114.59 3ktd s ASP 52 Ca 0.56 -2.59 0.05 0.00 -0.52 0.00 0.00 52.55 50.04 3ktd s ASP 52 Cb -0.11 -2.18 -0.03 0.00 -1.46 0.00 0.00 42.92 39.15 3ktd s ASP 52 CO 0.49 -0.59 -0.13 -0.69 0.52 0.00 0.00 175.17 174.76 3ktd s VAL 53 N 0.32 1.03 0.12 1.11 1.01 -1.26 -1.74 120.40 120.99 3ktd s VAL 53 Ca 0.16 -1.19 0.02 0.00 0.00 0.00 0.00 61.98 60.97 3ktd s VAL 53 Cb -0.13 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 3ktd s VAL 53 CO -0.07 -0.18 -0.05 -0.55 0.00 0.00 0.00 175.10 174.25 3ktd s SER 54 N -1.55 1.18 -0.07 3.32 0.15 -0.31 -4.81 113.70 111.61 3ktd s SER 54 Ca -0.02 -1.05 0.11 0.00 0.70 0.00 0.00 55.95 55.69 3ktd s SER 54 Cb -0.09 0.10 0.28 0.00 -1.71 0.00 0.00 66.02 64.59 3ktd s SER 54 CO 0.02 -0.48 1.21 0.00 1.20 0.00 0.00 173.24 175.18 3ktd n ALA 55 N -0.10 2.35 -3.59 5.45 0.00 -1.26 -1.41 120.51 121.95 3ktd n ALA 55 Ca -0.11 -1.69 -0.40 0.00 0.00 0.00 0.00 53.44 51.25 3ktd n ALA 55 Cb 0.61 -0.38 -0.08 0.00 0.00 0.00 0.00 19.45 19.60 3ktd n ALA 55 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3ktd s ASP 56 N -1.60 5.68 0.20 0.00 -1.08 -1.26 -4.82 116.67 113.78 3ktd s ASP 56 Ca 0.24 -2.39 -0.11 0.00 -0.52 0.00 0.00 52.55 49.77 3ktd s ASP 56 Cb 0.18 -1.97 0.13 0.00 -1.46 0.00 0.00 42.92 39.79 3ktd s ASP 56 CO 0.07 -0.55 1.84 0.25 0.52 0.00 0.00 175.17 177.31 3ktd h LEU 57 N 7.80 0.83 -0.62 -1.34 5.85 -1.94 -1.30 115.31 124.60 3ktd h LEU 57 Ca -0.08 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 3ktd h LEU 57 Cb 1.02 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 3ktd h LEU 57 CO 0.78 0.64 0.38 -0.08 -0.34 0.00 0.00 178.44 179.82 3ktd h GLU 58 N 0.94 0.84 -0.52 1.25 4.81 -2.00 -1.97 114.58 117.93 3ktd h GLU 58 Ca 0.25 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.33 3ktd h GLU 58 Cb -0.04 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.15 3ktd h GLU 58 CO -0.05 0.59 0.01 0.00 -0.73 0.00 0.00 179.01 178.84 3ktd h ALA 59 N 1.20 0.71 -0.27 2.92 0.00 -1.90 -1.90 119.26 120.01 3ktd h ALA 59 Ca 0.22 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3ktd h ALA 59 Cb -0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3ktd h ALA 59 CO -0.04 0.51 0.14 1.15 0.00 0.00 0.00 179.25 181.01 3ktd h THR 60 N 0.79 1.13 -0.23 0.00 2.02 -1.06 -2.30 112.91 113.27 3ktd h THR 60 Ca 0.15 -0.36 -0.09 0.00 0.77 0.00 0.00 66.41 66.88 3ktd h THR 60 Cb 0.51 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 3ktd h THR 60 CO 0.02 0.13 -0.25 -0.07 0.37 0.00 0.00 175.52 175.73 3ktd h LEU 61 N 0.31 0.42 -0.38 2.58 3.38 -1.30 0.16 115.31 120.49 3ktd h LEU 61 Ca 0.09 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3ktd h LEU 61 Cb 0.08 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3ktd h LEU 61 CO -0.01 0.67 0.25 -0.61 0.09 0.00 0.00 178.44 178.82 3ktd h GLN 62 N 0.38 0.51 -0.36 1.13 4.15 -1.10 0.40 115.11 120.22 3ktd h GLN 62 Ca 0.06 -0.04 -0.13 0.00 0.77 0.00 0.00 58.65 59.31 3ktd h GLN 62 Cb 0.64 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.21 3ktd h GLN 62 CO 0.05 0.36 -0.30 -0.09 -1.93 0.00 0.00 178.83 176.92 3ktd h ARG 63 N 0.51 0.84 -0.72 1.69 2.43 -1.17 -0.88 114.38 117.08 3ktd h ARG 63 Ca 0.14 -0.42 0.04 0.00 -0.81 0.00 0.00 59.98 58.93 3ktd h ARG 63 Cb -0.03 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.47 3ktd h ARG 63 CO -0.03 1.06 0.45 0.00 -1.51 0.00 0.00 179.97 179.93 3ktd h ALA 64 N 0.77 0.95 -0.57 2.80 0.00 -0.44 -0.14 119.26 122.63 3ktd h ALA 64 Ca 0.07 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 3ktd h ALA 64 Cb 0.87 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3ktd h ALA 64 CO 0.08 0.21 -0.05 0.00 0.00 0.00 0.00 179.25 179.48 3ktd h ALA 65 N 1.32 0.84 -0.30 0.00 0.00 -0.77 -1.40 119.26 118.95 3ktd h ALA 65 Ca 0.30 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3ktd h ALA 65 Cb 0.06 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3ktd h ALA 65 CO -0.13 0.66 -0.01 0.00 0.00 0.00 0.00 179.25 179.78 3ktd h ALA 66 N 1.00 1.43 -0.50 0.00 0.00 -0.18 -3.11 119.26 117.91 3ktd h ALA 66 Ca 0.16 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3ktd h ALA 66 Cb 0.60 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3ktd h ALA 66 CO 0.04 0.40 0.00 0.39 0.00 0.00 0.00 179.25 180.08 3ktd n GLU 67 N -4.30 2.56 -4.03 0.00 1.02 -0.16 -4.98 120.64 110.75 3ktd n GLU 67 Ca 0.01 -2.36 -0.28 0.00 -0.02 0.00 0.00 57.16 54.52 3ktd n GLU 67 Cb 0.23 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.14 3ktd n GLU 67 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3ktd n ASP 68 N 1.38 -0.94 -4.79 1.62 2.03 -0.77 -4.66 116.55 110.41 3ktd n ASP 68 Ca 0.20 -1.02 -0.34 0.00 0.52 0.00 0.00 54.79 54.14 3ktd n ASP 68 Cb 0.57 -2.92 -0.04 0.00 -0.72 0.00 0.00 41.12 38.02 3ktd n ASP 68 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3ktd s ALA 69 N -3.84 2.90 -0.14 -1.67 0.00 -0.60 -4.67 121.76 113.74 3ktd s ALA 69 Ca 0.17 0.62 -0.29 0.00 0.00 0.00 0.00 51.96 52.46 3ktd s ALA 69 Cb -0.09 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 19.76 3ktd s ALA 69 CO 0.90 -0.30 1.12 -1.17 0.00 0.00 0.00 175.76 176.32 3ktd s LEU 70 N -3.36 4.20 -0.25 0.00 2.96 -0.63 -4.26 118.68 117.34 3ktd s LEU 70 Ca 0.66 1.59 -0.13 0.00 -0.22 0.00 0.00 54.13 56.03 3ktd s LEU 70 Cb -0.17 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.93 3ktd s LEU 70 CO 0.21 -0.62 0.28 -0.63 -1.32 0.00 0.00 176.35 174.27 3ktd s ILE 71 N 2.76 5.26 -0.30 6.68 1.01 -0.81 0.05 121.20 135.84 3ktd s ILE 71 Ca 0.50 0.40 -0.11 0.00 0.00 0.00 0.00 60.65 61.44 3ktd s ILE 71 Cb -0.20 -3.61 -0.03 0.00 0.01 0.00 0.00 42.46 38.63 3ktd s ILE 71 CO 0.15 0.25 0.19 -0.69 0.00 0.00 0.00 174.94 174.83 3ktd s VAL 72 N 1.56 5.07 -0.87 2.92 1.01 0.11 -0.60 120.40 129.61 3ktd s VAL 72 Ca 0.12 -0.10 -0.20 0.00 0.00 0.00 0.00 61.98 61.80 3ktd s VAL 72 Cb -0.15 -3.51 0.11 0.00 0.00 0.00 0.00 36.38 32.84 3ktd s VAL 72 CO 0.08 0.14 1.10 -0.76 0.00 0.00 0.00 175.10 175.66 3ktd s LEU 73 N 1.71 4.83 -1.12 3.92 1.43 0.11 -0.30 118.68 129.25 3ktd s LEU 73 Ca 0.06 -1.77 -0.03 0.00 -1.03 0.00 0.00 54.13 51.37 3ktd s LEU 73 Cb -0.17 -2.41 0.26 0.00 0.03 0.00 0.00 46.19 43.90 3ktd s LEU 73 CO 0.09 -1.17 1.96 0.00 0.23 0.00 0.00 176.35 177.46 3ktd n ALA 74 N 6.93 6.20 -2.34 4.21 0.00 0.15 -3.11 120.51 132.55 3ktd n ALA 74 Ca 0.18 -4.47 -0.18 0.00 0.00 0.00 0.00 53.44 48.97 3ktd n ALA 74 Cb 0.48 -2.38 -0.10 0.00 0.00 0.00 0.00 19.45 17.45 3ktd n ALA 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3ktd s VAL 75 N -3.24 1.01 0.00 0.00 -7.23 -1.26 -4.42 120.40 105.25 3ktd s VAL 75 Ca 0.43 -2.03 0.00 0.00 -1.81 0.00 0.00 61.98 58.57 3ktd s VAL 75 Cb 0.18 -2.43 0.00 0.00 0.56 0.00 0.00 36.38 34.69 3ktd s VAL 75 CO -0.10 -0.25 0.00 -0.81 -0.31 0.00 0.00 175.10 173.63 3ktd n PRO 76 N -0.46 0.00 0.00 4.82 -0.04 -1.26 -4.72 135.00 133.34 3ktd n PRO 76 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 3ktd n PRO 76 Cb 0.64 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.10 3ktd n PRO 76 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3ktd n THR 78 N 0.00 0.00 0.49 0.52 -2.24 -1.26 -2.81 114.28 108.98 3ktd n THR 78 Ca 0.00 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.89 3ktd n THR 78 Cb 0.00 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 3ktd n THR 78 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ktd n ALA 79 N 0.00 3.38 0.04 6.98 0.00 -1.26 -4.63 120.51 125.03 3ktd n ALA 79 Ca 0.00 -0.43 -0.12 0.00 0.00 0.00 0.00 53.44 52.89 3ktd n ALA 79 Cb 0.00 -0.93 -0.05 0.00 0.00 0.00 0.00 19.45 18.47 3ktd n ALA 79 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3ktd h ILE 80 N 0.00 0.23 -0.73 0.00 1.08 -1.85 -2.87 117.51 113.36 3ktd h ILE 80 Ca 0.00 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.60 3ktd h ILE 80 Cb 0.77 0.23 -0.09 0.00 -3.07 0.00 0.00 36.82 34.66 3ktd h ILE 80 CO 0.00 0.00 0.30 0.44 -0.69 0.00 0.00 178.15 178.20 3ktd h ASP 81 N -0.49 0.32 0.07 1.72 5.19 -1.92 0.27 116.42 121.58 3ktd h ASP 81 Ca 0.07 0.09 -0.10 0.00 -0.62 0.00 0.00 57.03 56.47 3ktd h ASP 81 Cb 0.60 0.06 -0.01 0.00 0.18 0.00 0.00 39.33 40.15 3ktd h ASP 81 CO -0.32 0.14 -0.34 0.77 -3.12 0.00 0.00 179.24 176.37 3ktd h SER 82 N 0.48 0.39 0.59 6.45 4.64 -1.84 -0.15 113.55 124.11 3ktd h SER 82 Ca 0.39 -0.15 -0.17 0.00 -0.47 0.00 0.00 61.79 61.39 3ktd h SER 82 Cb 0.54 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.51 3ktd h SER 82 CO -0.36 0.71 -0.77 -0.07 -0.87 0.00 0.00 176.83 175.47 3ktd h LEU 83 N 0.33 0.17 -0.01 5.97 -0.00 -0.97 -0.59 115.31 120.20 3ktd h LEU 83 Ca 0.04 -0.12 -0.00 0.00 -0.00 0.00 0.00 57.88 57.80 3ktd h LEU 83 Cb 0.76 -0.05 -0.00 0.00 -0.00 0.00 0.00 40.66 41.37 3ktd h LEU 83 CO 0.06 0.87 0.00 -0.07 -0.00 0.00 0.00 178.44 179.30 3ktd h LEU 84 N 0.08 0.01 -1.38 1.67 3.38 -0.14 -1.27 115.31 117.67 3ktd h LEU 84 Ca -0.02 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.70 3ktd h LEU 84 Cb 1.35 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.06 3ktd h LEU 84 CO 0.11 0.27 0.43 0.44 0.09 0.00 0.00 178.44 179.78 3ktd h ASP 85 N -0.25 0.71 -0.53 -0.43 3.32 -1.01 0.50 116.42 118.74 3ktd h ASP 85 Ca 0.00 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 56.93 3ktd h ASP 85 Cb 0.26 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 3ktd h ASP 85 CO 0.00 0.51 -0.10 0.00 -1.72 0.00 0.00 179.24 177.93 3ktd h ALA 86 N 1.61 0.80 -0.10 3.45 0.00 -0.93 -2.60 119.26 121.50 3ktd h ALA 86 Ca 0.25 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 3ktd h ALA 86 Cb -0.04 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.56 3ktd h ALA 86 CO -0.06 0.67 -0.43 0.28 0.00 0.00 0.00 179.25 179.70 3ktd h VAL 87 N 0.90 1.38 -0.81 0.00 2.07 -0.62 -2.03 116.25 117.15 3ktd h VAL 87 Ca 0.14 -1.78 0.12 0.00 0.82 0.00 0.00 66.70 66.00 3ktd h VAL 87 Cb 0.65 2.22 -0.06 0.00 -1.52 0.00 0.00 31.29 32.59 3ktd h VAL 87 CO 0.05 0.53 0.53 -0.74 0.02 0.00 0.00 177.57 177.95 3ktd h HIS 88 N 0.03 0.74 0.00 1.57 6.17 -0.93 0.42 115.15 123.15 3ktd h HIS 88 Ca -0.03 0.02 -0.13 0.00 0.71 0.00 0.00 60.37 60.94 3ktd h HIS 88 Cb 1.08 -0.24 -0.02 0.00 2.52 0.00 0.00 27.41 30.75 3ktd h HIS 88 CO 0.12 0.32 -1.18 1.15 0.71 0.00 0.00 177.93 179.05 3ktd h THR 89 N 0.67 0.49 0.00 6.26 2.02 -1.47 -3.36 112.91 117.53 3ktd h THR 89 Ca 0.39 -1.89 0.00 0.00 0.77 0.00 0.00 66.41 65.68 3ktd h THR 89 Cb 0.57 2.03 0.00 0.00 -1.74 0.00 0.00 68.15 69.01 3ktd h THR 89 CO -0.15 0.28 -1.01 1.41 0.37 0.00 0.00 175.52 176.42 3ktd n HIS 90 N -2.92 0.00 -3.04 3.16 8.25 -0.76 -4.83 115.22 115.07 3ktd n HIS 90 Ca -0.06 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.23 3ktd n HIS 90 Cb 0.78 -0.04 -0.01 0.00 1.12 0.00 0.00 29.99 31.84 3ktd n HIS 90 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ktd n ALA 91 N -1.52 1.13 0.32 -1.41 0.00 0.14 -4.55 120.51 114.62 3ktd n ALA 91 Ca -0.00 -2.76 0.16 0.00 0.00 0.00 0.00 53.44 50.83 3ktd n ALA 91 Cb 0.05 -1.00 0.64 0.00 0.00 0.00 0.00 19.45 19.15 3ktd n ALA 91 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3ktd h PRO 92 N 3.41 0.00 0.00 0.00 0.14 -1.68 -2.77 132.00 131.09 3ktd h PRO 92 Ca 0.02 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.16 3ktd h PRO 92 Cb 0.98 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.12 3ktd h PRO 92 CO 0.40 0.00 -1.06 -1.71 0.14 0.00 0.00 178.00 175.76 3ktd n ASN 93 N -2.80 0.84 -4.77 1.44 5.15 -1.26 -4.98 115.26 108.88 3ktd n ASN 93 Ca 0.01 -0.82 -0.37 0.00 -0.60 0.00 0.00 54.58 52.80 3ktd n ASN 93 Cb 0.27 1.13 -0.00 0.00 -0.53 0.00 0.00 39.78 40.65 3ktd n ASN 93 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 3ktd s ASN 94 N -3.05 6.03 0.58 1.20 -0.87 -1.05 -5.03 114.94 112.76 3ktd s ASN 94 Ca 0.05 2.40 -0.14 0.00 -1.57 0.00 0.00 52.86 53.59 3ktd s ASN 94 Cb 0.14 -2.61 -0.05 0.00 -0.02 0.00 0.00 41.25 38.72 3ktd s ASN 94 CO 0.80 -1.02 1.02 -0.83 -2.57 0.00 0.00 177.10 174.51 3ktd s GLY 95 N -1.26 1.93 0.01 0.66 0.00 -1.26 -4.86 107.32 102.54 3ktd s GLY 95 Ca 0.65 0.16 -0.28 0.00 0.00 0.00 0.00 44.72 45.24 3ktd s GLY 95 CO 0.37 0.45 0.69 -0.11 0.00 0.00 0.00 173.10 174.51 3ktd s PHE 96 N -2.77 -0.57 0.13 1.90 -0.71 0.17 -1.93 117.98 114.20 3ktd s PHE 96 Ca 0.59 0.76 0.01 0.00 -1.04 0.00 0.00 56.93 57.25 3ktd s PHE 96 Cb -0.12 0.47 -0.04 0.00 -1.21 0.00 0.00 43.02 42.12 3ktd s PHE 96 CO 0.41 -0.66 -0.02 -0.08 -1.34 0.00 0.00 175.22 173.52 3ktd s THR 97 N -2.17 0.61 0.50 -4.49 -1.32 0.23 -1.33 115.64 107.67 3ktd s THR 97 Ca -0.05 -1.95 0.01 0.00 -1.21 0.00 0.00 61.69 58.49 3ktd s THR 97 Cb -0.00 -1.91 -0.01 0.00 -1.51 0.00 0.00 72.50 69.06 3ktd s THR 97 CO 0.00 -0.66 0.01 1.51 -2.21 0.00 0.00 174.62 173.28 3ktd s ASP 98 N -3.10 4.01 -0.02 8.08 -4.77 -1.25 0.04 116.67 119.67 3ktd s ASP 98 Ca 0.18 -1.66 0.03 0.00 -3.30 0.00 0.00 52.55 47.80 3ktd s ASP 98 Cb 0.06 0.52 0.04 0.00 -1.09 0.00 0.00 42.92 42.45 3ktd s ASP 98 CO -0.00 -0.86 0.84 1.33 0.70 0.00 0.00 175.17 177.18 3ktd n VAL 99 N -1.23 0.63 -2.56 2.11 0.24 -1.18 -3.02 118.33 113.31 3ktd n VAL 99 Ca -0.18 -0.68 -0.40 0.00 -2.04 0.00 0.00 64.34 61.04 3ktd n VAL 99 Cb 0.67 0.57 -0.05 0.00 -1.47 0.00 0.00 33.84 33.56 3ktd n VAL 99 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3ktd s VAL 100 N -0.77 3.67 0.51 3.34 1.01 -1.24 -4.33 120.40 122.59 3ktd s VAL 100 Ca 0.05 1.61 0.31 0.00 0.00 0.00 0.00 61.98 63.95 3ktd s VAL 100 Cb 0.04 -4.00 0.49 0.00 0.00 0.00 0.00 36.38 32.92 3ktd s VAL 100 CO 0.00 0.33 1.82 0.77 0.00 0.00 0.00 175.10 178.03 3ktd h SER 101 N 3.67 0.11 -3.85 3.32 4.64 -1.93 -3.41 113.55 116.11 3ktd h SER 101 Ca -0.47 0.02 -0.68 0.00 -0.47 0.00 0.00 61.79 60.19 3ktd h SER 101 Cb 1.21 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.10 3ktd h SER 101 CO 0.66 0.02 -0.76 -0.69 -0.87 0.00 0.00 176.83 175.20 3ktd s VAL 102 N -5.09 3.17 -0.06 0.95 1.01 -1.26 -4.97 120.40 114.16 3ktd s VAL 102 Ca -0.06 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.01 3ktd s VAL 102 Cb 0.23 -2.33 -0.05 0.00 0.00 0.00 0.00 36.38 34.23 3ktd s VAL 102 CO 0.79 0.42 -0.04 0.29 0.00 0.00 0.00 175.10 176.56 3ktd n LYS 103 N 1.72 0.97 -0.23 2.72 4.76 -1.26 -4.54 118.16 122.30 3ktd n LYS 103 Ca -0.16 0.03 -0.06 0.00 -2.87 0.00 0.00 58.31 55.25 3ktd n LYS 103 Cb 0.52 -1.13 0.05 0.00 -1.84 0.00 0.00 35.03 32.63 3ktd n LYS 103 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 3ktd h THR 104 N 0.00 1.18 -0.61 -0.18 2.02 -1.95 -1.12 112.91 112.26 3ktd h THR 104 Ca -0.14 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 66.67 3ktd h THR 104 Cb 1.25 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 67.88 3ktd h THR 104 CO -0.01 0.18 0.39 0.00 0.37 0.00 0.00 175.52 176.45 3ktd h ALA 105 N 1.22 1.56 0.00 6.16 0.00 -1.84 -1.34 119.26 125.02 3ktd h ALA 105 Ca 0.24 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3ktd h ALA 105 Cb -0.06 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.49 3ktd h ALA 105 CO -0.05 0.41 -0.00 0.28 0.00 0.00 0.00 179.25 179.89 3ktd h VAL 106 N 0.82 1.57 -0.60 0.00 2.07 -1.69 -2.64 116.25 115.77 3ktd h VAL 106 Ca 0.22 -1.72 0.07 0.00 0.82 0.00 0.00 66.70 66.10 3ktd h VAL 106 Cb -0.08 2.73 -0.06 0.00 -1.52 0.00 0.00 31.29 32.35 3ktd h VAL 106 CO -0.05 0.44 0.28 0.22 0.02 0.00 0.00 177.57 178.48 3ktd h TYR 107 N -0.74 0.50 -0.41 1.57 3.20 -1.03 0.83 116.97 120.88 3ktd h TYR 107 Ca -0.00 0.03 0.07 0.00 3.14 0.00 0.00 58.73 61.97 3ktd h TYR 107 Cb 0.73 -0.13 -0.06 0.00 1.54 0.00 0.00 36.73 38.80 3ktd h TYR 107 CO 0.18 0.19 0.03 -0.44 -1.64 0.00 0.00 178.16 176.48 3ktd h ASP 108 N 0.51 -0.11 -0.58 -2.11 3.32 -1.32 0.23 116.42 116.36 3ktd h ASP 108 Ca 0.29 0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.41 3ktd h ASP 108 Cb 0.28 0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.94 3ktd h ASP 108 CO -0.24 -0.02 0.30 0.00 -1.72 0.00 0.00 179.24 177.56 3ktd h ALA 109 N 1.34 1.40 -0.32 3.45 0.00 -0.76 0.24 119.26 124.61 3ktd h ALA 109 Ca 0.20 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.83 3ktd h ALA 109 Cb 0.28 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3ktd h ALA 109 CO -0.31 0.48 -0.44 0.28 0.00 0.00 0.00 179.25 179.26 3ktd h VAL 110 N 0.84 1.28 -0.48 0.00 2.07 0.05 -3.13 116.25 116.89 3ktd h VAL 110 Ca 0.21 -1.62 -0.11 0.00 0.82 0.00 0.00 66.70 66.00 3ktd h VAL 110 Cb 0.07 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 3ktd h VAL 110 CO -0.03 0.53 -0.14 0.11 0.02 0.00 0.00 177.57 178.06 3ktd h LYS 111 N 0.65 0.90 0.00 1.57 1.57 -0.06 -2.24 116.57 118.97 3ktd h LYS 111 Ca 0.04 -0.33 -0.00 0.00 -1.87 0.00 0.00 60.65 58.48 3ktd h LYS 111 Cb 1.04 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.29 3ktd h LYS 111 CO 0.10 0.98 -0.00 0.00 -0.57 0.00 0.00 179.45 179.96 3ktd h ALA 112 N 1.03 1.52 -0.47 3.86 0.00 -0.95 -0.84 119.26 123.41 3ktd h ALA 112 Ca 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3ktd h ALA 112 Cb 0.67 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3ktd h ALA 112 CO 0.05 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.84 3ktd n ARG 113 N -3.84 2.52 -2.81 0.00 1.74 -0.99 -5.11 116.66 108.17 3ktd n ARG 113 Ca -0.03 -2.28 -0.01 0.00 -0.77 0.00 0.00 57.85 54.76 3ktd n ARG 113 Cb 0.08 -1.45 -0.01 0.00 -1.02 0.00 0.00 32.46 30.06 3ktd n ARG 113 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3ktd n ASN 114 N 1.26 -6.68 0.00 0.55 3.02 -0.32 -5.08 115.26 108.01 3ktd n ASN 114 Ca 0.18 1.21 0.00 0.00 -0.03 0.00 0.00 54.58 55.94 3ktd n ASN 114 Cb 0.55 -4.46 0.00 0.00 -0.61 0.00 0.00 39.78 35.26 3ktd n ASN 114 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ktd n GLN 116 N 1.04 0.00 0.00 3.52 0.00 -1.25 -4.94 117.38 115.74 3ktd n GLN 116 Ca -0.06 0.00 0.10 0.00 0.00 0.00 0.00 57.00 57.04 3ktd n GLN 116 Cb 0.19 -0.58 0.50 0.00 0.00 0.00 0.00 30.24 30.35 3ktd n GLN 116 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 3ktd n HIS 117 N -1.49 0.00 -0.24 2.61 8.25 -1.26 -3.48 115.22 119.60 3ktd n HIS 117 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3ktd n HIS 117 Cb 0.00 -0.39 0.00 0.00 1.12 0.00 0.00 29.99 30.72 3ktd n HIS 117 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3ktd n ARG 118 N -1.39 1.69 -4.70 -0.41 5.12 -1.26 -4.53 116.66 111.19 3ktd n ARG 118 Ca 0.08 -1.09 -0.33 0.00 -1.93 0.00 0.00 57.85 54.58 3ktd n ARG 118 Cb 0.21 -0.88 -0.12 0.00 -1.16 0.00 0.00 32.46 30.51 3ktd n ARG 118 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 3ktd s TYR 119 N -0.61 2.86 -0.20 -1.55 5.04 -1.23 -0.65 117.35 121.01 3ktd s TYR 119 Ca 0.00 -0.19 -0.01 0.00 -2.44 0.00 0.00 57.07 54.43 3ktd s TYR 119 Cb 0.00 -1.75 0.05 0.00 0.35 0.00 0.00 41.96 40.62 3ktd s TYR 119 CO 0.00 0.14 -0.01 0.08 -1.34 0.00 0.00 175.55 174.42 3ktd s VAL 120 N -0.41 0.98 0.44 3.14 1.01 -0.44 -4.97 120.40 120.14 3ktd s VAL 120 Ca 0.05 -0.76 -0.25 0.00 0.00 0.00 0.00 61.98 61.02 3ktd s VAL 120 Cb -0.12 -1.32 -0.08 0.00 0.00 0.00 0.00 36.38 34.86 3ktd s VAL 120 CO 0.02 -0.08 1.36 -0.83 0.00 0.00 0.00 175.10 175.57 3ktd s GLY 121 N 1.66 2.91 0.07 4.51 0.00 -1.26 -3.91 107.32 111.30 3ktd s GLY 121 Ca -0.02 1.33 -0.10 0.00 0.00 0.00 0.00 44.72 45.93 3ktd s GLY 121 CO -0.07 1.92 0.23 -1.35 0.00 0.00 0.00 173.10 173.83 3ktd s SER 122 N -0.68 0.03 -0.25 1.64 1.04 -1.17 -0.74 113.70 113.58 3ktd s SER 122 Ca 0.60 -0.48 -0.02 0.00 0.48 0.00 0.00 55.95 56.53 3ktd s SER 122 Cb -0.40 0.34 0.13 0.00 0.10 0.00 0.00 66.02 66.20 3ktd s SER 122 CO 0.51 -0.68 0.37 -2.28 0.98 0.00 0.00 173.24 172.14 3ktd s HIS 123 N -3.36 -0.81 0.00 5.02 2.46 0.01 -3.42 115.29 115.19 3ktd s HIS 123 Ca 0.01 0.72 0.00 0.00 0.47 0.00 0.00 55.06 56.26 3ktd s HIS 123 Cb 0.02 -0.03 0.00 0.00 -0.13 0.00 0.00 32.58 32.44 3ktd s HIS 123 CO -0.08 -0.75 0.00 -0.35 -2.47 0.00 0.00 174.74 171.09 3ktd n PRO 124 N 5.36 2.19 0.00 2.88 -0.04 -1.26 -0.25 135.00 143.88 3ktd n PRO 124 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 3ktd n PRO 124 Cb 0.50 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.96 3ktd n PRO 124 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ktd n ALA 126 N -3.00 0.00 -1.00 0.55 0.00 -1.26 -4.96 120.51 110.83 3ktd n ALA 126 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3ktd n ALA 126 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3ktd n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ktd n GLY 127 N 0.00 -0.42 3.36 0.00 0.00 -1.26 -4.98 105.19 101.88 3ktd n GLY 127 Ca 0.00 -1.21 -0.44 0.00 0.00 0.00 0.00 46.02 44.37 3ktd n GLY 127 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ktd s THR 128 N 0.00 5.10 0.03 2.61 -4.23 -1.26 -5.09 115.64 112.80 3ktd s THR 128 Ca 0.00 -1.18 0.03 0.00 -1.18 0.00 0.00 61.69 59.36 3ktd s THR 128 Cb 0.00 -4.09 0.04 0.00 1.34 0.00 0.00 72.50 69.79 3ktd s THR 128 CO 0.00 -0.62 0.11 0.00 -0.54 0.00 0.00 174.62 173.57 3ktd n ALA 129 N 5.17 0.11 -1.65 3.99 0.00 -1.26 -4.93 120.51 121.94 3ktd n ALA 129 Ca -0.12 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3ktd n ALA 129 Cb 0.43 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.80 3ktd n ALA 129 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3ktd n SER 131 N -2.55 -7.69 -0.15 0.00 2.88 -1.26 -4.94 113.62 99.91 3ktd n SER 131 Ca 0.03 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.72 3ktd n SER 131 Cb 0.12 -4.66 0.00 0.00 -0.75 0.00 0.00 64.21 58.92 3ktd n SER 131 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3ktd n GLY 132 N -0.67 1.67 0.28 0.46 0.00 -1.26 -4.09 105.19 101.58 3ktd n GLY 132 Ca 0.00 -1.69 0.02 0.00 0.00 0.00 0.00 46.02 44.35 3ktd n GLY 132 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3ktd h TRP 133 N 0.00 0.48 0.00 1.61 2.91 -1.86 -2.19 115.95 116.91 3ktd h TRP 133 Ca 0.00 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.00 3ktd h TRP 133 Cb 0.00 -0.15 0.00 0.00 -0.51 0.00 0.00 29.16 28.50 3ktd h TRP 133 CO 0.00 0.41 0.00 0.66 -1.03 0.00 0.00 178.44 178.48 3ktd h SER 134 N 0.48 0.00 1.17 2.65 4.64 -1.94 -1.68 113.55 118.87 3ktd h SER 134 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 3ktd h SER 134 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3ktd h SER 134 CO -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.95 3ktd n ALA 135 N -1.90 2.08 -1.38 5.18 0.00 -0.82 -5.08 120.51 118.58 3ktd n ALA 135 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 3ktd n ALA 135 Cb 0.14 -1.44 0.08 0.00 0.00 0.00 0.00 19.45 18.23 3ktd n ALA 135 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3ktd s SER 136 N -4.24 4.80 0.06 0.00 1.04 -0.63 -4.62 113.70 110.11 3ktd s SER 136 Ca 0.09 1.72 0.06 0.00 0.48 0.00 0.00 55.95 58.30 3ktd s SER 136 Cb 0.12 -2.49 -0.04 0.00 0.10 0.00 0.00 66.02 63.72 3ktd s SER 136 CO 0.52 -1.83 -0.12 -1.81 0.98 0.00 0.00 173.24 170.97 3ktd s ASP 138 N -3.56 4.23 -1.71 7.02 -0.00 -1.26 -4.88 116.67 116.51 3ktd s ASP 138 Ca 0.60 -0.35 0.00 0.00 -0.00 0.00 0.00 52.55 52.80 3ktd s ASP 138 Cb -0.16 -0.80 0.00 0.00 -0.00 0.00 0.00 42.92 41.96 3ktd s ASP 138 CO 0.56 0.23 0.00 0.61 -0.00 0.00 0.00 175.17 176.56 3ktd n GLY 139 N 1.17 -0.45 0.33 0.21 0.00 -1.26 -4.88 105.19 100.31 3ktd n GLY 139 Ca -0.15 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.87 3ktd n GLY 139 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3ktd h LEU 140 N 0.00 0.78 -0.69 0.99 5.85 -1.91 -3.08 115.31 117.25 3ktd h LEU 140 Ca -0.47 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.18 3ktd h LEU 140 Cb 1.35 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.18 3ktd h LEU 140 CO 0.56 0.65 -0.30 0.49 -0.34 0.00 0.00 178.44 179.49 3ktd n PHE 141 N -4.36 0.00 -1.68 1.25 3.72 -1.26 -4.77 117.46 110.36 3ktd n PHE 141 Ca 0.06 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 57.02 3ktd n PHE 141 Cb 0.12 -0.08 -0.04 0.00 -0.94 0.00 0.00 39.48 38.54 3ktd n PHE 141 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3ktd n LYS 142 N -0.38 2.64 -1.46 -1.08 4.01 -1.17 -0.93 118.16 119.79 3ktd n LYS 142 Ca 0.12 0.96 -0.16 0.00 -0.51 0.00 0.00 58.31 58.72 3ktd n LYS 142 Cb 0.39 -2.86 -0.07 0.00 -0.51 0.00 0.00 35.03 31.98 3ktd n LYS 142 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 3ktd n ARG 143 N 6.31 -1.46 -3.67 1.97 3.00 0.12 -4.94 116.66 117.98 3ktd n ARG 143 Ca 0.20 1.05 -0.30 0.00 -0.01 0.00 0.00 57.85 58.78 3ktd n ARG 143 Cb 0.36 -5.39 -0.04 0.00 0.00 0.00 0.00 32.46 27.39 3ktd n ARG 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3ktd s ALA 144 N -2.40 3.80 0.20 7.54 0.00 -0.11 -4.84 121.76 125.95 3ktd s ALA 144 Ca 0.00 -0.64 -0.30 0.00 0.00 0.00 0.00 51.96 51.02 3ktd s ALA 144 Cb 0.00 -2.09 -0.08 0.00 0.00 0.00 0.00 23.12 20.95 3ktd s ALA 144 CO 0.00 0.59 0.96 0.08 0.00 0.00 0.00 175.76 177.39 3ktd s VAL 145 N -1.73 4.18 -0.26 0.00 1.01 -1.26 -0.64 120.40 121.70 3ktd s VAL 145 Ca 0.40 2.05 -0.00 0.00 0.00 0.00 0.00 61.98 64.43 3ktd s VAL 145 Cb -0.12 -4.31 0.08 0.00 0.00 0.00 0.00 36.38 32.03 3ktd s VAL 145 CO 0.26 0.43 0.03 0.86 0.00 0.00 0.00 175.10 176.68 3ktd s TRP 146 N -0.78 2.01 0.19 5.22 -0.11 -0.07 -4.54 118.94 120.86 3ktd s TRP 146 Ca 0.43 -1.69 -0.30 0.00 1.22 0.00 0.00 56.10 55.77 3ktd s TRP 146 Cb -0.25 -1.65 -0.08 0.00 -1.50 0.00 0.00 33.47 29.99 3ktd s TRP 146 CO 0.32 -0.79 1.17 0.08 -4.62 0.00 0.00 176.95 173.11 3ktd s VAL 147 N 1.52 3.62 -0.10 5.86 1.01 0.65 -2.09 120.40 130.87 3ktd s VAL 147 Ca 0.02 1.38 0.02 0.00 0.00 0.00 0.00 61.98 63.41 3ktd s VAL 147 Cb -0.18 -3.88 0.01 0.00 0.00 0.00 0.00 36.38 32.33 3ktd s VAL 147 CO -0.13 0.23 -0.15 -0.69 0.00 0.00 0.00 175.10 174.36 3ktd s VAL 148 N -0.15 1.47 0.73 2.92 1.01 -0.71 -0.81 120.40 124.87 3ktd s VAL 148 Ca 0.52 -0.63 -0.09 0.00 0.00 0.00 0.00 61.98 61.77 3ktd s VAL 148 Cb -0.32 -1.34 0.05 0.00 0.00 0.00 0.00 36.38 34.78 3ktd s VAL 148 CO 0.37 0.43 1.08 0.42 0.00 0.00 0.00 175.10 177.40 3ktd s THR 149 N 0.92 2.53 -0.15 3.92 -4.23 0.09 -2.45 115.64 116.26 3ktd s THR 149 Ca -0.08 -0.01 0.08 0.00 -1.18 0.00 0.00 61.69 60.50 3ktd s THR 149 Cb -0.15 -3.13 0.22 0.00 1.34 0.00 0.00 72.50 70.78 3ktd s THR 149 CO -0.00 -0.16 1.24 2.22 -0.54 0.00 0.00 174.62 177.38 3ktd n PHE 150 N -3.05 -0.75 -0.09 3.99 -1.74 -1.25 -4.66 117.46 109.91 3ktd n PHE 150 Ca 0.07 -1.08 -0.00 0.00 -0.56 0.00 0.00 57.45 55.88 3ktd n PHE 150 Cb 0.60 0.83 0.27 0.00 1.52 0.00 0.00 39.48 42.70 3ktd n PHE 150 CO 0.00 0.00 0.00 -0.44 -0.56 0.00 0.00 176.76 175.76 3ktd h ASP 151 N 0.63 0.66 -0.48 5.98 5.19 -1.96 -2.69 116.42 123.75 3ktd h ASP 151 Ca -0.47 -0.08 0.14 0.00 -0.62 0.00 0.00 57.03 56.00 3ktd h ASP 151 Cb 1.39 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 40.71 3ktd h ASP 151 CO -0.19 0.60 0.40 1.56 -3.12 0.00 0.00 179.24 178.49 3ktd h GLN 152 N 0.72 0.00 0.00 3.56 7.50 -1.93 0.59 115.11 125.56 3ktd h GLN 152 Ca 0.17 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.31 3ktd h GLN 152 Cb 0.15 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.68 3ktd h GLN 152 CO -0.02 0.00 -0.08 -0.07 -1.50 0.00 0.00 178.83 177.17 3ktd h LEU 153 N 0.00 0.00 -0.66 1.46 3.38 -1.79 -3.38 115.31 114.32 3ktd h LEU 153 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3ktd h LEU 153 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 3ktd h LEU 153 CO -0.00 0.08 0.00 0.49 0.09 0.00 0.00 178.44 179.10 3ktd n PHE 154 N -3.16 0.00 -3.43 1.13 3.72 0.08 -5.08 117.46 110.73 3ktd n PHE 154 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 3ktd n PHE 154 Cb 0.43 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.97 3ktd n PHE 154 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3ktd n ASP 155 N -0.01 0.95 -0.28 4.37 5.75 -0.51 -4.99 116.55 121.83 3ktd n ASP 155 Ca 0.00 -0.96 0.00 0.00 -0.01 0.00 0.00 54.79 53.82 3ktd n ASP 155 Cb 0.08 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 3ktd n ASP 155 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ktd n GLY 156 N 5.00 0.23 3.77 6.12 0.00 -1.26 -4.78 105.19 114.27 3ktd n GLY 156 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3ktd n GLY 156 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ktd s THR 157 N -1.43 4.69 -1.02 2.61 2.01 -1.26 -5.01 115.64 116.23 3ktd s THR 157 Ca 0.00 1.50 -0.06 0.00 0.31 0.00 0.00 61.69 63.44 3ktd s THR 157 Cb 0.00 -4.05 0.25 0.00 0.01 0.00 0.00 72.50 68.72 3ktd s THR 157 CO 0.00 0.44 0.98 -0.62 -0.69 0.00 0.00 174.62 174.73 3ktd s ASP 158 N -0.49 6.77 0.34 3.53 2.15 -1.26 -4.82 116.67 122.89 3ktd s ASP 158 Ca 0.35 -3.66 0.03 0.00 0.43 0.00 0.00 52.55 49.69 3ktd s ASP 158 Cb -0.20 -2.08 -0.02 0.00 -0.30 0.00 0.00 42.92 40.31 3ktd s ASP 158 CO 0.22 -0.24 0.52 0.27 -0.17 0.00 0.00 175.17 175.77 3ktd s ILE 159 N -1.32 4.68 0.00 4.11 -5.25 -1.26 -5.07 121.20 117.09 3ktd s ILE 159 Ca 0.29 -0.70 0.00 0.00 -0.99 0.00 0.00 60.65 59.26 3ktd s ILE 159 Cb -0.09 -3.68 0.00 0.00 2.95 0.00 0.00 42.46 41.64 3ktd s ILE 159 CO -0.10 -0.38 0.00 -0.46 -1.79 0.00 0.00 174.94 172.22 3ktd n ASN 160 N -1.74 1.31 0.18 4.36 0.23 -1.26 -5.04 115.26 113.30 3ktd n ASN 160 Ca -0.03 -0.76 0.08 0.00 -0.53 0.00 0.00 54.58 53.34 3ktd n ASN 160 Cb 0.57 0.00 0.59 0.00 -2.08 0.00 0.00 39.78 38.86 3ktd n ASN 160 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 3ktd h SER 161 N 0.00 0.11 -0.72 0.53 4.64 -2.00 -2.19 113.55 113.93 3ktd h SER 161 Ca 0.00 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3ktd h SER 161 Cb 0.00 -0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 62.03 3ktd h SER 161 CO 0.00 0.08 0.44 0.71 -0.87 0.00 0.00 176.83 177.19 3ktd h THR 162 N 0.13 1.20 -0.43 2.95 1.35 -1.96 -0.52 112.91 115.63 3ktd h THR 162 Ca 0.05 -0.44 -0.08 0.00 -0.55 0.00 0.00 66.41 65.39 3ktd h THR 162 Cb 0.06 0.18 -0.01 0.00 -1.73 0.00 0.00 68.15 66.65 3ktd h THR 162 CO -0.01 0.21 -0.04 -0.25 -0.25 0.00 0.00 175.52 175.18 3ktd h TRP 163 N 1.00 0.87 -0.82 4.73 7.01 -1.63 -2.14 115.95 124.96 3ktd h TRP 163 Ca 0.26 -0.17 0.06 0.00 2.11 0.00 0.00 58.89 61.16 3ktd h TRP 163 Cb -0.04 -0.22 -0.05 0.00 -2.10 0.00 0.00 29.16 26.75 3ktd h TRP 163 CO 0.00 0.87 0.54 0.82 -2.79 0.00 0.00 178.44 177.88 3ktd h ILE 164 N 0.61 1.06 -0.53 2.65 2.04 -1.33 -0.85 117.51 121.15 3ktd h ILE 164 Ca 0.12 -0.31 -0.08 0.00 1.00 0.00 0.00 64.86 65.58 3ktd h ILE 164 Cb 0.55 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 3ktd h ILE 164 CO 0.03 0.17 -0.01 -1.28 0.00 0.00 0.00 178.15 177.06 3ktd h SER 165 N 0.92 0.88 -0.24 1.72 0.87 -0.70 -1.37 113.55 115.62 3ktd h SER 165 Ca 0.35 -0.23 -0.07 0.00 -1.23 0.00 0.00 61.79 60.61 3ktd h SER 165 Cb 0.21 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 3ktd h SER 165 CO -0.12 0.95 -0.12 0.40 -0.53 0.00 0.00 176.83 177.41 3ktd h ILE 166 N 0.83 1.30 -0.55 2.23 2.04 -0.75 -2.84 117.51 119.78 3ktd h ILE 166 Ca 0.15 -1.19 0.06 0.00 1.00 0.00 0.00 64.86 64.89 3ktd h ILE 166 Cb 0.51 1.56 -0.05 0.00 -0.74 0.00 0.00 36.82 38.10 3ktd h ILE 166 CO 0.03 0.37 0.25 -0.25 0.00 0.00 0.00 178.15 178.55 3ktd h TRP 167 N 0.23 0.46 0.19 1.37 7.01 -0.99 -2.00 115.95 122.22 3ktd h TRP 167 Ca 0.05 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.08 3ktd h TRP 167 Cb 0.62 -0.12 -0.02 0.00 -2.10 0.00 0.00 29.16 27.54 3ktd h TRP 167 CO 0.06 0.19 -0.20 0.87 -2.79 0.00 0.00 178.44 176.58 3ktd h LYS 168 N 0.48 -0.41 -0.89 2.65 1.57 -1.23 -2.17 116.57 116.57 3ktd h LYS 168 Ca 0.25 0.03 0.12 0.00 -1.87 0.00 0.00 60.65 59.18 3ktd h LYS 168 Cb 0.22 0.09 -0.07 0.00 0.08 0.00 0.00 32.23 32.55 3ktd h LYS 168 CO -0.21 -0.27 0.57 -0.44 -0.57 0.00 0.00 179.45 178.53 3ktd h ASP 169 N -0.42 0.72 -0.66 0.86 3.32 -1.23 0.25 116.42 119.25 3ktd h ASP 169 Ca 0.00 0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.02 3ktd h ASP 169 Cb 0.40 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 3ktd h ASP 169 CO -0.05 0.39 0.16 0.58 -1.72 0.00 0.00 179.24 178.60 3ktd h VAL 170 N 0.78 1.26 -0.25 -1.35 2.07 -0.99 -2.88 116.25 114.88 3ktd h VAL 170 Ca 0.43 -0.95 -0.13 0.00 0.82 0.00 0.00 66.70 66.87 3ktd h VAL 170 Cb 0.57 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 30.95 3ktd h VAL 170 CO -0.19 0.36 -0.36 0.58 0.02 0.00 0.00 177.57 177.98 3ktd h VAL 171 N 0.99 1.31 0.00 2.57 2.07 -0.57 -1.53 116.25 121.09 3ktd h VAL 171 Ca 0.21 -1.55 0.00 0.00 0.82 0.00 0.00 66.70 66.17 3ktd h VAL 171 Cb 0.37 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 3ktd h VAL 171 CO 0.00 0.49 0.00 0.00 0.02 0.00 0.00 177.57 178.09 3ktd n GLN 172 N -4.23 0.05 0.00 1.57 1.13 0.73 -0.92 117.38 115.71 3ktd n GLN 172 Ca -0.05 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.01 3ktd n GLN 172 Cb 0.51 -1.26 0.00 0.00 0.11 0.00 0.00 30.24 29.60 3ktd n GLN 172 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3ktd n ALA 174 N 0.73 0.00 0.05 -1.58 0.00 -0.58 -0.29 120.51 118.85 3ktd n ALA 174 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 3ktd n ALA 174 Cb 0.02 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.49 3ktd n ALA 174 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3ktd h LEU 175 N 0.00 0.50 -2.33 0.00 3.38 -1.27 -2.16 115.31 113.43 3ktd h LEU 175 Ca 0.00 -0.33 0.03 0.00 0.09 0.00 0.00 57.88 57.67 3ktd h LEU 175 Cb 0.00 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 3ktd h LEU 175 CO 0.00 1.08 0.15 0.00 0.09 0.00 0.00 178.44 179.76 3ktd h ALA 176 N 0.91 1.65 -0.68 1.53 0.00 -0.89 -2.21 119.26 119.56 3ktd h ALA 176 Ca -0.04 -0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.46 3ktd h ALA 176 Cb 1.33 0.01 -0.24 0.00 0.00 0.00 0.00 17.79 18.89 3ktd h ALA 176 CO 0.13 -0.21 0.15 1.33 0.00 0.00 0.00 179.25 180.65 3ktd n VAL 177 N -3.69 2.91 -1.26 0.00 0.24 -1.20 -4.92 118.33 110.40 3ktd n VAL 177 Ca -0.00 -2.86 -0.09 0.00 -2.04 0.00 0.00 64.34 59.35 3ktd n VAL 177 Cb 0.25 -0.65 -0.04 0.00 -1.47 0.00 0.00 33.84 31.94 3ktd n VAL 177 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ktd n GLY 178 N -1.03 1.02 3.90 7.63 0.00 -0.83 -3.45 105.19 112.43 3ktd n GLY 178 Ca 0.47 -0.28 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 3ktd n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ktd s ALA 179 N -2.14 3.12 -0.34 4.61 0.00 -0.82 0.11 121.76 126.29 3ktd s ALA 179 Ca 0.00 -0.53 -0.08 0.00 0.00 0.00 0.00 51.96 51.35 3ktd s ALA 179 Cb 0.00 -2.80 0.03 0.00 0.00 0.00 0.00 23.12 20.35 3ktd s ALA 179 CO 0.00 -0.95 0.14 -1.21 0.00 0.00 0.00 175.76 173.74 3ktd s GLU 180 N -5.16 2.80 -0.27 0.00 2.02 0.19 -4.56 118.70 113.72 3ktd s GLU 180 Ca 0.56 -1.07 -0.26 0.00 0.02 0.00 0.00 54.97 54.21 3ktd s GLU 180 Cb -0.11 -3.55 0.00 0.00 0.10 0.00 0.00 34.13 30.58 3ktd s GLU 180 CO 0.48 -0.63 0.92 0.08 0.02 0.00 0.00 175.26 176.13 3ktd s VAL 181 N 1.48 4.72 -0.22 2.63 1.01 -1.26 -0.89 120.40 127.87 3ktd s VAL 181 Ca 0.01 1.62 -0.05 0.00 0.00 0.00 0.00 61.98 63.55 3ktd s VAL 181 Cb -0.19 -4.23 -0.02 0.00 0.00 0.00 0.00 36.38 31.94 3ktd s VAL 181 CO 0.04 -0.23 -0.01 -0.69 0.00 0.00 0.00 175.10 174.21 3ktd s VAL 182 N 3.13 3.71 0.22 2.92 1.01 -0.89 -0.08 120.40 130.42 3ktd s VAL 182 Ca 0.39 -0.39 -0.23 0.00 0.00 0.00 0.00 61.98 61.75 3ktd s VAL 182 Cb -0.14 -2.69 -0.08 0.00 0.00 0.00 0.00 36.38 33.46 3ktd s VAL 182 CO 0.10 0.41 0.78 -2.16 0.00 0.00 0.00 175.10 174.24 3ktd s PRO 183 N 1.32 4.41 -0.13 2.72 0.04 -1.26 -1.73 135.00 140.37 3ktd s PRO 183 Ca 0.04 1.05 -0.24 0.00 0.04 0.00 0.00 61.00 61.88 3ktd s PRO 183 Cb -0.15 -2.98 0.06 0.00 0.04 0.00 0.00 34.50 31.48 3ktd s PRO 183 CO -0.00 0.43 0.61 0.45 0.04 0.00 0.00 177.00 178.52 3ktd s SER 184 N -1.49 -0.59 0.86 6.66 0.15 -1.03 -3.94 113.70 114.32 3ktd s SER 184 Ca 0.42 0.90 -0.13 0.00 0.70 0.00 0.00 55.95 57.84 3ktd s SER 184 Cb -0.19 0.87 0.11 0.00 -1.71 0.00 0.00 66.02 65.10 3ktd s SER 184 CO 0.23 -0.40 1.18 -0.13 1.20 0.00 0.00 173.24 175.32 3ktd s ARG 185 N -0.47 1.56 0.27 5.44 0.52 -1.26 -3.74 118.95 121.26 3ktd s ARG 185 Ca -0.06 0.11 -0.00 0.00 -0.52 0.00 0.00 55.73 55.26 3ktd s ARG 185 Cb -0.03 -1.90 0.37 0.00 0.52 0.00 0.00 34.95 33.91 3ktd s ARG 185 CO 0.05 -1.88 1.74 -0.39 0.02 0.00 0.00 175.30 174.84 3ktd h VAL 186 N -1.26 1.25 0.13 3.52 -1.51 -1.98 -2.70 116.25 113.69 3ktd h VAL 186 Ca -0.47 -1.11 -0.01 0.00 -1.23 0.00 0.00 66.70 63.88 3ktd h VAL 186 Cb 1.32 1.08 0.00 0.00 -2.13 0.00 0.00 31.29 31.57 3ktd h VAL 186 CO 0.62 0.37 -0.06 1.23 -1.23 0.00 0.00 177.57 178.50 3ktd h GLY 187 N 0.97 -0.18 1.02 5.19 0.00 -1.98 -2.08 103.07 106.02 3ktd h GLY 187 Ca 0.11 0.07 0.07 0.00 0.00 0.00 0.00 47.33 47.57 3ktd h GLY 187 CO 0.03 -0.06 0.48 -2.55 0.00 0.00 0.00 176.54 174.44 3ktd h PRO 188 N -0.72 0.74 0.08 4.80 0.11 -1.97 -1.18 132.00 133.86 3ktd h PRO 188 Ca -0.02 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.04 3ktd h PRO 188 Cb 0.53 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.47 3ktd h PRO 188 CO 0.03 0.49 -0.04 1.25 -0.21 0.00 0.00 178.00 179.52 3ktd h HIS 189 N 0.76 -0.10 -0.36 0.65 -0.00 -1.49 -1.87 115.15 112.74 3ktd h HIS 189 Ca 0.32 -0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.64 3ktd h HIS 189 Cb 0.27 0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 27.69 3ktd h HIS 189 CO -0.00 0.27 0.02 -0.44 -0.00 0.00 0.00 177.93 177.78 3ktd h ASP 190 N -0.48 0.52 -0.76 3.26 3.32 -1.24 0.18 116.42 121.23 3ktd h ASP 190 Ca -0.01 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.95 3ktd h ASP 190 Cb 0.41 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.79 3ktd h ASP 190 CO 0.02 0.58 0.48 0.00 -1.72 0.00 0.00 179.24 178.60 3ktd h ALA 191 N 1.49 0.96 0.06 3.45 0.00 -1.21 -0.14 119.26 123.87 3ktd h ALA 191 Ca 0.12 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3ktd h ALA 191 Cb 0.32 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3ktd h ALA 191 CO 0.01 0.40 -0.03 0.00 0.00 0.00 0.00 179.25 179.63 3ktd h ALA 192 N 1.26 -0.08 -0.11 0.00 0.00 -0.41 -3.07 119.26 116.86 3ktd h ALA 192 Ca 0.27 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3ktd h ALA 192 Cb -0.08 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3ktd h ALA 192 CO -0.06 -0.30 -0.02 0.00 0.00 0.00 0.00 179.25 178.88 3ktd h ALA 193 N 0.32 1.76 -0.55 0.00 0.00 -0.61 0.83 119.26 121.01 3ktd h ALA 193 Ca -0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3ktd h ALA 193 Cb 0.50 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3ktd h ALA 193 CO 0.01 0.18 0.31 0.00 0.00 0.00 0.00 179.25 179.75 3ktd h ALA 194 N 1.83 0.71 0.13 0.00 0.00 -1.03 0.78 119.26 121.67 3ktd h ALA 194 Ca 0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3ktd h ALA 194 Cb 0.15 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3ktd h ALA 194 CO 0.00 0.22 -0.06 0.00 0.00 0.00 0.00 179.25 179.42 3ktd h ARG 195 N 0.74 -0.17 -0.01 0.00 3.08 -1.13 0.16 114.38 117.06 3ktd h ARG 195 Ca 0.20 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.26 3ktd h ARG 195 Cb 0.04 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.13 3ktd h ARG 195 CO -0.03 0.30 -0.33 1.33 -1.07 0.00 0.00 179.97 180.17 3ktd n VAL 196 N -4.89 0.00 0.00 2.04 0.24 0.17 -4.09 118.33 111.80 3ktd n VAL 196 Ca -0.08 -0.10 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 3ktd n VAL 196 Cb 0.27 0.38 0.00 0.00 -1.47 0.00 0.00 33.84 33.02 3ktd n VAL 196 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 3ktd n SER 197 N -0.86 0.07 -0.02 -1.34 2.88 -0.60 -4.68 113.62 109.07 3ktd n SER 197 Ca 0.10 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.51 3ktd n SER 197 Cb 0.35 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.70 3ktd n SER 197 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 3ktd h HIS 198 N 0.00 -0.02 -0.65 0.66 3.86 -0.91 -1.52 115.15 116.57 3ktd h HIS 198 Ca 0.00 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3ktd h HIS 198 Cb 0.23 0.01 -0.03 0.00 1.06 0.00 0.00 27.41 28.68 3ktd h HIS 198 CO 0.00 0.61 0.40 1.25 0.86 0.00 0.00 177.93 181.05 3ktd h LEU 199 N -0.67 0.76 -0.39 2.43 5.85 -0.84 -0.66 115.31 121.78 3ktd h LEU 199 Ca -0.00 -0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.75 3ktd h LEU 199 Cb 0.64 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.42 3ktd h LEU 199 CO 0.00 0.58 0.05 0.74 -0.34 0.00 0.00 178.44 179.47 3ktd h THR 200 N 0.88 0.76 -0.69 1.05 2.02 -1.68 0.49 112.91 115.75 3ktd h THR 200 Ca 0.23 -0.06 -0.08 0.00 0.77 0.00 0.00 66.41 67.28 3ktd h THR 200 Cb -0.05 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 66.91 3ktd h THR 200 CO -0.05 0.03 0.13 0.45 0.37 0.00 0.00 175.52 176.46 3ktd h HIS 201 N 0.17 1.19 -0.29 3.16 3.86 -0.33 -1.68 115.15 121.23 3ktd h HIS 201 Ca 0.19 -0.16 -0.02 0.00 -1.16 0.00 0.00 60.37 59.23 3ktd h HIS 201 Cb 0.25 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.37 3ktd h HIS 201 CO -0.22 0.98 0.12 0.82 0.86 0.00 0.00 177.93 180.49 3ktd h ILE 202 N 1.06 1.18 -0.50 2.45 1.08 -0.37 -2.11 117.51 120.29 3ktd h ILE 202 Ca 0.21 -0.53 -0.06 0.00 -0.39 0.00 0.00 64.86 64.09 3ktd h ILE 202 Cb 0.42 0.99 -0.02 0.00 -3.07 0.00 0.00 36.82 35.14 3ktd h ILE 202 CO 0.01 0.18 0.06 -0.07 -0.69 0.00 0.00 178.15 177.65 3ktd h LEU 203 N 0.32 0.74 -0.58 1.44 3.38 -0.88 -2.04 115.31 117.70 3ktd h LEU 203 Ca 0.10 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3ktd h LEU 203 Cb 0.18 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 3ktd h LEU 203 CO -0.01 0.77 0.32 0.00 0.09 0.00 0.00 178.44 179.62 3ktd h ALA 204 N 1.32 0.74 -0.19 1.53 0.00 -1.06 -1.02 119.26 120.58 3ktd h ALA 204 Ca 0.16 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3ktd h ALA 204 Cb 0.36 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3ktd h ALA 204 CO 0.01 0.25 0.08 0.93 0.00 0.00 0.00 179.25 180.52 3ktd h GLU 205 N 0.78 0.29 -0.64 0.00 4.39 -1.14 -2.55 114.58 115.72 3ktd h GLU 205 Ca 0.20 -0.05 0.06 0.00 0.34 0.00 0.00 59.36 59.92 3ktd h GLU 205 Cb 0.04 -0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 28.58 3ktd h GLU 205 CO -0.03 0.35 0.34 1.15 -1.16 0.00 0.00 179.01 179.65 3ktd h THR 206 N 0.16 0.94 -0.62 1.13 2.02 -1.13 -2.09 112.91 113.32 3ktd h THR 206 Ca 0.06 -0.21 -0.10 0.00 0.77 0.00 0.00 66.41 66.94 3ktd h THR 206 Cb 0.17 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 66.82 3ktd h THR 206 CO -0.01 0.11 0.01 0.25 0.37 0.00 0.00 175.52 176.26 3ktd h LEU 207 N 0.62 1.06 -0.96 2.58 5.85 -1.13 -2.04 115.31 121.29 3ktd h LEU 207 Ca 0.29 -0.30 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 3ktd h LEU 207 Cb 0.21 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 3ktd h LEU 207 CO -0.20 1.10 0.32 0.00 -0.34 0.00 0.00 178.44 179.32 3ktd h ALA 208 N 0.99 1.18 0.02 1.25 0.00 -0.96 -1.29 119.26 120.46 3ktd h ALA 208 Ca 0.18 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3ktd h ALA 208 Cb 0.55 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3ktd h ALA 208 CO 0.03 0.60 -0.01 0.82 0.00 0.00 0.00 179.25 180.69 3ktd h ILE 209 N 1.05 1.26 -0.56 0.00 2.04 -1.19 0.12 117.51 120.23 3ktd h ILE 209 Ca 0.25 -0.90 0.04 0.00 1.00 0.00 0.00 64.86 65.24 3ktd h ILE 209 Cb 0.16 1.87 -0.03 0.00 -0.74 0.00 0.00 36.82 38.08 3ktd h ILE 209 CO -0.03 0.23 0.37 0.58 0.00 0.00 0.00 178.15 179.31 3ktd h VAL 210 N -0.43 1.05 -0.08 1.67 2.07 -1.24 0.36 116.25 119.65 3ktd h VAL 210 Ca -0.00 -0.21 -0.06 0.00 0.82 0.00 0.00 66.70 67.24 3ktd h VAL 210 Cb 0.40 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 3ktd h VAL 210 CO 0.01 0.11 -0.19 1.23 0.02 0.00 0.00 177.57 178.75 3ktd h GLY 211 N 0.62 0.29 1.10 2.17 0.00 -1.16 -3.15 103.07 102.95 3ktd h GLY 211 Ca 0.23 -0.36 0.01 0.00 0.00 0.00 0.00 47.33 47.21 3ktd h GLY 211 CO -0.06 0.32 0.59 -1.80 0.00 0.00 0.00 176.54 175.59 3ktd h ASP 212 N -0.21 1.00 -0.40 0.19 3.58 -0.34 -1.46 116.42 118.79 3ktd h ASP 212 Ca -0.00 -0.02 0.11 0.00 0.42 0.00 0.00 57.03 57.54 3ktd h ASP 212 Cb 0.79 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.57 3ktd h ASP 212 CO 0.04 0.72 0.29 0.78 -2.88 0.00 0.00 179.24 178.19 3ktd h ASN 213 N 1.18 0.02 0.59 2.28 2.35 -0.32 -1.61 115.58 120.08 3ktd h ASN 213 Ca 0.33 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.08 3ktd h ASN 213 Cb -0.11 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.26 3ktd h ASN 213 CO -0.08 0.01 0.00 0.61 -1.65 0.00 0.00 177.43 176.32 3ktd n GLY 214 N -1.61 -1.11 7.00 2.83 0.00 -0.55 -5.00 105.19 106.75 3ktd n GLY 214 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3ktd n GLY 214 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ktd n GLY 215 N 0.01 -0.70 0.18 -0.02 0.00 -0.61 -4.08 105.19 99.97 3ktd n GLY 215 Ca 0.03 -1.15 -0.12 0.00 0.00 0.00 0.00 46.02 44.78 3ktd n GLY 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ktd h ALA 216 N -0.15 -0.24 -0.59 4.61 0.00 -1.94 -2.58 119.26 118.37 3ktd h ALA 216 Ca 0.00 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.93 3ktd h ALA 216 Cb 0.00 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3ktd h ALA 216 CO 0.00 -0.66 0.33 1.25 0.00 0.00 0.00 179.25 180.17 3ktd h LEU 217 N -0.28 0.52 -0.14 0.00 5.85 -1.99 -1.19 115.31 118.08 3ktd h LEU 217 Ca 0.02 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 3ktd h LEU 217 Cb 0.29 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 3ktd h LEU 217 CO -0.07 0.35 0.08 0.28 -0.34 0.00 0.00 178.44 178.74 3ktd h SER 218 N 0.65 0.17 0.36 1.25 0.02 -1.64 0.93 113.55 115.29 3ktd h SER 218 Ca 0.25 -0.08 -0.06 0.00 -0.84 0.00 0.00 61.79 61.05 3ktd h SER 218 Cb 0.09 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 3ktd h SER 218 CO -0.14 0.21 -0.29 -0.07 -1.14 0.00 0.00 176.83 175.40 3ktd h LEU 219 N 0.13 0.00 -0.13 5.07 3.38 -1.31 -1.42 115.31 121.02 3ktd h LEU 219 Ca 0.05 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 3ktd h LEU 219 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3ktd h LEU 219 CO -0.01 0.29 -0.32 -1.28 0.09 0.00 0.00 178.44 177.21 3ktd h SER 220 N 0.00 0.51 1.07 -0.43 0.87 -0.58 -3.26 113.55 111.74 3ktd h SER 220 Ca -0.00 -0.58 0.00 0.00 -1.23 0.00 0.00 61.79 59.98 3ktd h SER 220 Cb 0.54 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 3ktd h SER 220 CO 0.04 1.00 0.00 0.18 -0.53 0.00 0.00 176.83 177.52 3ktd n LEU 221 N -4.38 0.22 -4.76 2.23 4.77 0.27 -4.86 117.00 110.49 3ktd n LEU 221 Ca -0.07 0.52 -0.40 0.00 -0.03 0.00 0.00 56.01 56.03 3ktd n LEU 221 Cb 0.49 -0.46 0.02 0.00 -2.33 0.00 0.00 43.42 41.14 3ktd n LEU 221 CO 0.43 -0.08 1.06 0.00 -1.33 0.00 0.00 177.39 177.47 3ktd n ALA 222 N -1.58 2.01 -3.16 -1.18 0.00 -0.56 -4.99 120.51 111.05 3ktd n ALA 222 Ca 0.06 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.75 3ktd n ALA 222 Cb 0.35 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.41 3ktd n ALA 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ktd n ALA 223 N -0.21 0.00 -0.33 0.00 0.00 -1.26 -4.98 120.51 113.73 3ktd n ALA 223 Ca 0.05 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.64 3ktd n ALA 223 Cb 0.41 0.00 0.34 0.00 0.00 0.00 0.00 19.45 20.20 3ktd n ALA 223 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3ktd h GLY 224 N 0.00 1.75 1.02 0.00 0.00 -1.99 -0.20 103.07 103.65 3ktd h GLY 224 Ca 0.00 -0.27 -0.04 0.00 0.00 0.00 0.00 47.33 47.02 3ktd h GLY 224 CO 0.00 -0.21 0.27 1.48 0.00 0.00 0.00 176.54 178.08 3ktd h SER 225 N 0.56 0.95 -0.21 0.19 4.64 -1.99 -1.75 113.55 115.94 3ktd h SER 225 Ca 0.60 -0.18 -0.07 0.00 -0.47 0.00 0.00 61.79 61.67 3ktd h SER 225 Cb 1.09 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 62.92 3ktd h SER 225 CO -0.47 0.87 -0.15 0.22 -0.87 0.00 0.00 176.83 176.43 3ktd h TYR 226 N 0.97 0.55 -0.49 4.77 3.20 -1.48 -1.08 116.97 123.41 3ktd h TYR 226 Ca 0.23 -0.15 0.10 0.00 3.14 0.00 0.00 58.73 62.04 3ktd h TYR 226 Cb 0.22 -0.12 -0.09 0.00 1.54 0.00 0.00 36.73 38.28 3ktd h TYR 226 CO 0.02 0.78 -0.10 0.00 -1.64 0.00 0.00 178.16 177.22 3ktd h ARG 227 N 0.16 0.02 -0.28 1.82 3.08 -1.14 -1.28 114.38 116.75 3ktd h ARG 227 Ca 0.04 -0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.02 3ktd h ARG 227 Cb 0.66 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 3ktd h ARG 227 CO 0.04 0.01 -0.08 -0.44 -1.07 0.00 0.00 179.97 178.43 3ktd h ASP 228 N 0.02 0.56 1.20 7.04 5.19 -1.20 -2.45 116.42 126.78 3ktd h ASP 228 Ca 0.24 -0.37 0.00 0.00 -0.62 0.00 0.00 57.03 56.27 3ktd h ASP 228 Cb 0.36 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 39.72 3ktd h ASP 228 CO -0.49 0.81 0.00 0.28 -3.12 0.00 0.00 179.24 176.72 3ktd h SER 229 N 0.31 0.00 -0.26 6.45 0.02 -1.01 -3.11 113.55 115.95 3ktd h SER 229 Ca 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3ktd h SER 229 Cb 0.57 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.11 3ktd h SER 229 CO 0.03 0.00 0.00 0.35 -1.14 0.00 0.00 176.83 176.07 3ktd n THR 230 N -2.70 0.65 0.04 -2.27 -2.24 -0.50 -4.38 114.28 102.88 3ktd n THR 230 Ca 0.03 -0.83 -0.12 0.00 -2.27 0.00 0.00 64.05 60.86 3ktd n THR 230 Cb 0.35 0.77 -0.07 0.00 -2.10 0.00 0.00 70.33 69.27 3ktd n THR 230 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3ktd h ARG 231 N 2.35 -0.01 0.00 -0.78 2.43 -1.36 -2.19 114.38 114.82 3ktd h ARG 231 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3ktd h ARG 231 Cb 0.68 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 3ktd h ARG 231 CO 0.00 0.01 0.00 1.33 -1.51 0.00 0.00 179.97 179.80 3ktd n VAL 232 N -5.09 0.87 0.78 0.20 0.24 -1.26 -0.97 118.33 113.11 3ktd n VAL 232 Ca -0.07 0.22 0.10 0.00 -2.04 0.00 0.00 64.34 62.55 3ktd n VAL 232 Cb 0.04 -1.01 0.46 0.00 -1.47 0.00 0.00 33.84 31.86 3ktd n VAL 232 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ktd n ALA 233 N -1.37 1.98 0.17 2.33 0.00 -0.82 -2.12 120.51 120.67 3ktd n ALA 233 Ca 0.05 -0.08 0.07 0.00 0.00 0.00 0.00 53.44 53.48 3ktd n ALA 233 Cb 0.12 -1.33 0.08 0.00 0.00 0.00 0.00 19.45 18.31 3ktd n ALA 233 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3ktd h GLY 234 N 3.50 0.00 -1.14 0.00 0.00 -1.17 -3.47 103.07 100.79 3ktd h GLY 234 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.87 3ktd h GLY 234 CO 0.00 0.00 0.06 -0.51 0.00 0.00 0.00 176.54 176.09 3ktd s THR 235 N -3.11 2.04 0.14 4.70 -4.23 -0.90 -4.89 115.64 109.40 3ktd s THR 235 Ca 0.05 0.01 -0.30 0.00 -1.18 0.00 0.00 61.69 60.27 3ktd s THR 235 Cb 0.07 -2.07 -0.08 0.00 1.34 0.00 0.00 72.50 71.76 3ktd s THR 235 CO 0.72 -0.02 1.29 -0.62 -0.54 0.00 0.00 174.62 175.45 3ktd s ASP 236 N -2.56 6.95 0.30 3.99 -1.08 -1.26 -4.91 116.67 118.10 3ktd s ASP 236 Ca 0.68 2.27 0.04 0.00 -0.52 0.00 0.00 52.55 55.02 3ktd s ASP 236 Cb -0.24 -2.60 0.67 0.00 -1.46 0.00 0.00 42.92 39.29 3ktd s ASP 236 CO 0.63 -0.52 1.82 -0.65 0.52 0.00 0.00 175.17 176.97 3ktd h PRO 237 N 6.04 0.83 -0.70 4.34 0.11 -1.93 -1.26 132.00 139.43 3ktd h PRO 237 Ca -0.43 -0.05 0.06 0.00 0.11 0.00 0.00 66.00 65.69 3ktd h PRO 237 Cb 1.21 -0.19 -0.06 0.00 0.11 0.00 0.00 31.00 32.08 3ktd h PRO 237 CO 0.80 0.55 0.40 0.78 -0.21 0.00 0.00 178.00 180.32 3ktd h GLY 238 N 0.86 1.04 0.75 -0.55 0.00 -2.00 -1.53 103.07 101.64 3ktd h GLY 238 Ca 0.52 -0.28 -0.10 0.00 0.00 0.00 0.00 47.33 47.47 3ktd h GLY 238 CO -0.29 0.16 -0.34 1.41 0.00 0.00 0.00 176.54 177.48 3ktd h LEU 239 N 0.72 0.46 -1.09 3.11 3.38 -1.70 -1.90 115.31 118.29 3ktd h LEU 239 Ca 0.32 -0.62 0.08 0.00 0.09 0.00 0.00 57.88 57.75 3ktd h LEU 239 Cb 0.20 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.75 3ktd h LEU 239 CO -0.19 1.01 0.61 0.58 0.09 0.00 0.00 178.44 180.54 3ktd h VAL 240 N -0.05 1.02 -0.42 1.22 2.07 -1.10 -1.32 116.25 117.67 3ktd h VAL 240 Ca -0.02 -0.35 -0.13 0.00 0.82 0.00 0.00 66.70 67.02 3ktd h VAL 240 Cb 0.98 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 3ktd h VAL 240 CO 0.07 0.19 -0.25 0.03 0.02 0.00 0.00 177.57 177.63 3ktd h ARG 241 N 1.03 0.92 0.00 1.57 3.08 -1.28 -2.62 114.38 117.09 3ktd h ARG 241 Ca 0.43 -0.42 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3ktd h ARG 241 Cb 0.30 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3ktd h ARG 241 CO -0.18 1.08 0.00 0.00 -1.07 0.00 0.00 179.97 179.79 3ktd n ALA 242 N -2.51 1.23 0.00 0.04 0.00 -0.50 -0.48 120.51 118.28 3ktd n ALA 242 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3ktd n ALA 242 Cb 0.47 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 19.03 3ktd n ALA 242 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ktd h GLU 245 N 0.00 0.74 -0.76 0.00 5.08 -1.03 -0.78 114.58 117.82 3ktd h GLU 245 Ca 0.00 -0.40 0.12 0.00 -1.00 0.00 0.00 59.36 58.08 3ktd h GLU 245 Cb 0.00 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.22 3ktd h GLU 245 CO 0.00 1.02 0.50 0.77 -1.00 0.00 0.00 179.01 180.30 3ktd h SER 246 N 0.49 0.54 -0.53 1.42 0.02 -1.23 -2.97 113.55 111.29 3ktd h SER 246 Ca 0.04 0.02 -0.37 0.00 -0.84 0.00 0.00 61.79 60.64 3ktd h SER 246 Cb 0.89 -0.09 -0.27 0.00 0.14 0.00 0.00 62.40 63.08 3ktd h SER 246 CO 0.08 0.30 -0.51 -3.20 -1.14 0.00 0.00 176.83 172.36 3ktd n ASN 247 N -4.50 3.99 -0.33 3.07 5.15 -1.06 -4.72 115.26 116.86 3ktd n ASN 247 Ca 0.14 -3.80 0.03 0.00 -0.60 0.00 0.00 54.58 50.34 3ktd n ASN 247 Cb 0.41 -0.48 0.17 0.00 -0.53 0.00 0.00 39.78 39.35 3ktd n ASN 247 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3ktd h ALA 248 N 1.71 1.30 0.02 5.20 0.00 -0.98 -1.51 119.26 125.00 3ktd h ALA 248 Ca 0.28 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 3ktd h ALA 248 Cb 1.37 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 3ktd h ALA 248 CO 0.58 0.28 -0.01 0.78 0.00 0.00 0.00 179.25 180.88 3ktd h GLY 249 N 1.00 -0.37 1.49 0.00 0.00 -1.88 -0.07 103.07 103.25 3ktd h GLY 249 Ca 0.42 0.16 0.07 0.00 0.00 0.00 0.00 47.33 47.97 3ktd h GLY 249 CO -0.20 -0.14 0.19 -2.55 0.00 0.00 0.00 176.54 173.83 3ktd h PRO 250 N -0.03 0.00 -0.43 4.80 0.11 -1.91 -2.18 132.00 132.36 3ktd h PRO 250 Ca -0.00 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.03 3ktd h PRO 250 Cb 0.02 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.12 3ktd h PRO 250 CO 0.00 0.00 -0.05 1.25 -0.21 0.00 0.00 178.00 178.99 3ktd h LEU 251 N 0.00 0.79 -0.85 2.35 5.85 -1.07 -2.33 115.31 120.05 3ktd h LEU 251 Ca 0.12 -0.33 -0.02 0.00 0.84 0.00 0.00 57.88 58.48 3ktd h LEU 251 Cb 0.49 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 3ktd h LEU 251 CO -0.00 0.94 0.44 0.58 -0.34 0.00 0.00 178.44 180.06 3ktd h VAL 252 N 0.63 1.25 -0.79 1.05 2.07 -0.36 0.68 116.25 120.79 3ktd h VAL 252 Ca 0.12 -0.67 0.02 0.00 0.82 0.00 0.00 66.70 66.99 3ktd h VAL 252 Cb 0.56 0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 3ktd h VAL 252 CO 0.03 0.29 0.51 0.11 0.02 0.00 0.00 177.57 178.54 3ktd h LYS 253 N 1.20 1.00 -0.07 1.57 1.57 -1.42 0.10 116.57 120.51 3ktd h LYS 253 Ca 0.30 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 59.00 3ktd h LYS 253 Cb 0.07 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.15 3ktd h LYS 253 CO -0.04 0.66 -0.00 0.00 -0.57 0.00 0.00 179.45 179.49 3ktd h ALA 254 N 1.31 0.10 -0.34 3.86 0.00 -0.76 -2.81 119.26 120.62 3ktd h ALA 254 Ca 0.30 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3ktd h ALA 254 Cb -0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3ktd h ALA 254 CO -0.08 -0.21 0.12 1.25 0.00 0.00 0.00 179.25 180.33 3ktd h LEU 255 N -0.17 0.43 -1.12 0.00 5.85 0.64 -1.89 115.31 119.04 3ktd h LEU 255 Ca 0.02 -0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.62 3ktd h LEU 255 Cb 0.36 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 3ktd h LEU 255 CO 0.00 0.40 -0.27 0.44 -0.34 0.00 0.00 178.44 178.67 3ktd h ASP 256 N 0.47 0.27 -0.41 1.25 5.19 -0.76 0.49 116.42 122.93 3ktd h ASP 256 Ca 0.12 -0.09 -0.10 0.00 -0.62 0.00 0.00 57.03 56.34 3ktd h ASP 256 Cb 0.12 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.54 3ktd h ASP 256 CO -0.01 0.55 -0.12 -0.33 -3.12 0.00 0.00 179.24 176.20 3ktd h GLU 257 N 0.24 0.81 -0.47 3.56 5.08 -1.09 -1.48 114.58 121.23 3ktd h GLU 257 Ca 0.04 -0.32 0.01 0.00 -1.00 0.00 0.00 59.36 58.08 3ktd h GLU 257 Cb 0.62 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 3ktd h GLU 257 CO 0.04 0.94 0.30 0.00 -1.00 0.00 0.00 179.01 179.30 3ktd h ALA 258 N 0.84 0.59 -0.45 3.43 0.00 -0.77 -1.51 119.26 121.39 3ktd h ALA 258 Ca 0.10 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 3ktd h ALA 258 Cb 0.66 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3ktd h ALA 258 CO 0.05 0.03 -0.10 -0.07 0.00 0.00 0.00 179.25 179.15 3ktd h LEU 259 N 0.62 0.80 -0.17 0.00 3.38 -0.86 -0.56 115.31 118.52 3ktd h LEU 259 Ca 0.18 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3ktd h LEU 259 Cb -0.05 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 3ktd h LEU 259 CO -0.05 0.93 0.08 0.00 0.09 0.00 0.00 178.44 179.49 3ktd h ALA 260 N 1.15 0.22 -0.41 1.53 0.00 -1.01 0.11 119.26 120.84 3ktd h ALA 260 Ca 0.13 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3ktd h ALA 260 Cb 0.59 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3ktd h ALA 260 CO 0.04 -0.22 0.20 0.82 0.00 0.00 0.00 179.25 180.08 3ktd h ILE 261 N 0.15 1.17 -0.22 0.00 2.04 -1.10 -1.30 117.51 118.26 3ktd h ILE 261 Ca 0.06 -0.49 -0.07 0.00 1.00 0.00 0.00 64.86 65.36 3ktd h ILE 261 Cb 0.11 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 3ktd h ILE 261 CO -0.01 0.19 -0.19 -0.07 0.00 0.00 0.00 178.15 178.07 3ktd h LEU 262 N 0.52 0.36 -0.14 1.44 3.38 -0.98 0.53 115.31 120.43 3ktd h LEU 262 Ca 0.14 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3ktd h LEU 262 Cb 0.11 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3ktd h LEU 262 CO -0.02 0.57 0.00 -0.74 0.09 0.00 0.00 178.44 178.34 3ktd h HIS 263 N 0.34 0.27 -0.85 1.13 2.76 -0.45 -0.70 115.15 117.64 3ktd h HIS 263 Ca 0.06 -0.04 0.08 0.00 -2.20 0.00 0.00 60.37 58.26 3ktd h HIS 263 Cb 0.53 -0.07 -0.07 0.00 1.55 0.00 0.00 27.41 29.35 3ktd h HIS 263 CO 0.01 0.47 0.52 1.49 -1.30 0.00 0.00 177.93 179.11 3ktd h GLU 264 N -0.01 0.88 -0.70 5.26 4.57 -0.93 0.11 114.58 123.76 3ktd h GLU 264 Ca 0.04 -0.05 0.01 0.00 -1.18 0.00 0.00 59.36 58.18 3ktd h GLU 264 Cb 0.36 -0.20 -0.04 0.00 -0.16 0.00 0.00 28.75 28.71 3ktd h GLU 264 CO 0.01 0.58 0.46 0.00 -1.18 0.00 0.00 179.01 178.88 3ktd h ALA 265 N 1.43 0.89 -0.19 2.92 0.00 -0.72 -1.81 119.26 121.79 3ktd h ALA 265 Ca 0.39 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.22 3ktd h ALA 265 Cb 0.26 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3ktd h ALA 265 CO -0.20 0.30 -0.02 -0.09 0.00 0.00 0.00 179.25 179.23 3ktd h ARG 266 N 0.94 0.35 -0.73 0.00 2.43 -0.04 -1.63 114.38 115.70 3ktd h ARG 266 Ca 0.26 -0.12 0.16 0.00 -0.81 0.00 0.00 59.98 59.47 3ktd h ARG 266 Cb -0.09 -0.02 -0.12 0.00 -0.42 0.00 0.00 29.97 29.32 3ktd h ARG 266 CO -0.06 0.59 0.11 0.93 -1.51 0.00 0.00 179.97 180.02 3ktd h GLU 267 N 0.08 0.19 -0.53 0.20 5.08 -0.67 -1.46 114.58 117.47 3ktd h GLU 267 Ca 0.05 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 3ktd h GLU 267 Cb 0.44 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 3ktd h GLU 267 CO 0.01 0.13 0.22 0.78 -1.00 0.00 0.00 179.01 179.15 3ktd h GLY 268 N 0.19 0.85 2.00 -3.84 0.00 -1.00 -2.90 103.07 98.37 3ktd h GLY 268 Ca 0.41 -0.45 -0.05 0.00 0.00 0.00 0.00 47.33 47.23 3ktd h GLY 268 CO -0.56 0.43 -0.23 1.41 0.00 0.00 0.00 176.54 177.59 3ktd h LEU 269 N 0.72 0.00 -1.70 3.11 3.38 -0.67 -0.23 115.31 119.91 3ktd h LEU 269 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3ktd h LEU 269 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3ktd h LEU 269 CO -0.02 0.23 0.00 0.35 0.09 0.00 0.00 178.44 179.10 3ktd n THR 270 N -3.39 0.57 -1.85 0.22 -2.24 -0.61 -4.57 114.28 102.40 3ktd n THR 270 Ca 0.00 -0.60 -0.31 0.00 -2.27 0.00 0.00 64.05 60.87 3ktd n THR 270 Cb 0.44 0.37 0.02 0.00 -2.10 0.00 0.00 70.33 69.05 3ktd n THR 270 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ktd s ALA 271 N -1.43 3.06 0.29 6.98 0.00 -1.16 -4.95 121.76 124.55 3ktd s ALA 271 Ca 0.32 -0.10 0.04 0.00 0.00 0.00 0.00 51.96 52.22 3ktd s ALA 271 Cb 0.17 -3.08 0.74 0.00 0.00 0.00 0.00 23.12 20.95 3ktd s ALA 271 CO 0.23 -0.76 1.69 0.93 0.00 0.00 0.00 175.76 177.85 3ktd h GLU 272 N -0.37 0.38 -4.61 0.00 3.07 -1.92 -3.10 114.58 108.03 3ktd h GLU 272 Ca -0.44 -0.02 -0.69 0.00 -0.50 0.00 0.00 59.36 57.71 3ktd h GLU 272 Cb 1.20 -0.09 -0.34 0.00 -0.84 0.00 0.00 28.75 28.68 3ktd h GLU 272 CO 0.62 0.25 -0.62 -0.65 -1.40 0.00 0.00 179.01 177.21 3ktd s GLN 273 N -5.88 2.17 0.20 2.33 -1.52 -1.26 -5.09 119.66 110.60 3ktd s GLN 273 Ca -0.12 -1.58 -0.33 0.00 -1.95 0.00 0.00 55.36 51.39 3ktd s GLN 273 Cb 0.25 -3.41 -0.13 0.00 -0.22 0.00 0.00 33.01 29.50 3ktd s GLN 273 CO 0.78 -0.88 1.62 -2.30 -0.25 0.00 0.00 175.29 174.26 3ktd n PRO 274 N 4.60 2.42 -3.70 2.91 -0.02 -1.17 -4.96 135.00 135.07 3ktd n PRO 274 Ca -0.06 0.87 -0.11 0.00 -2.02 0.00 0.00 63.50 62.18 3ktd n PRO 274 Cb 0.42 -2.66 -0.11 0.00 -0.02 0.00 0.00 33.50 31.13 3ktd n PRO 274 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3ktd s ASN 275 N 0.92 -0.47 -0.29 2.55 3.84 -0.11 -4.95 114.94 116.43 3ktd s ASN 275 Ca 0.75 0.82 0.17 0.00 0.21 0.00 0.00 52.86 54.81 3ktd s ASN 275 Cb -0.60 0.70 0.48 0.00 -0.55 0.00 0.00 41.25 41.29 3ktd s ASN 275 CO 0.38 -0.19 1.10 2.30 -2.79 0.00 0.00 177.10 177.90 3ktd n ILE 276 N 4.26 1.62 0.16 -5.21 -5.35 -1.26 -3.91 119.36 109.67 3ktd n ILE 276 Ca -0.24 -3.44 -0.15 0.00 -0.27 0.00 0.00 62.75 58.66 3ktd n ILE 276 Cb 0.55 0.37 -0.07 0.00 -1.74 0.00 0.00 39.64 38.74 3ktd n ILE 276 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 3ktd h GLU 277 N 2.57 -0.66 -0.33 6.28 5.08 -1.98 -1.47 114.58 124.07 3ktd h GLU 277 Ca 0.03 0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.51 3ktd h GLU 277 Cb 1.29 0.15 -0.08 0.00 0.50 0.00 0.00 28.75 30.61 3ktd h GLU 277 CO 0.44 -0.44 -0.25 0.37 -1.00 0.00 0.00 179.01 178.13 3ktd h GLN 278 N -0.68 -0.21 -0.69 2.33 4.15 -1.99 0.40 115.11 118.43 3ktd h GLN 278 Ca 0.00 0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.46 3ktd h GLN 278 Cb 0.67 0.05 -0.04 0.00 0.21 0.00 0.00 27.48 28.37 3ktd h GLN 278 CO -0.17 -0.14 0.44 1.25 -1.93 0.00 0.00 178.83 178.29 3ktd h LEU 279 N -0.21 0.73 -0.07 -2.39 5.85 -1.93 -1.18 115.31 116.11 3ktd h LEU 279 Ca 0.17 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 3ktd h LEU 279 Cb 0.47 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.34 3ktd h LEU 279 CO -0.46 0.52 -0.12 0.00 -0.34 0.00 0.00 178.44 178.04 3ktd h ALA 280 N 1.28 0.11 -0.31 1.25 0.00 -0.19 -0.20 119.26 121.20 3ktd h ALA 280 Ca 0.27 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 3ktd h ALA 280 Cb -0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3ktd h ALA 280 CO -0.09 -0.01 -0.30 0.22 0.00 0.00 0.00 179.25 179.06 3ktd h ASP 281 N -0.27 0.80 -0.46 0.00 3.58 -0.25 -2.18 116.42 117.64 3ktd h ASP 281 Ca 0.00 -0.47 -0.02 0.00 0.42 0.00 0.00 57.03 56.96 3ktd h ASP 281 Cb 0.69 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.50 3ktd h ASP 281 CO 0.03 1.11 0.21 0.78 -2.88 0.00 0.00 179.24 178.48 3ktd h ASN 282 N 0.51 0.61 0.02 2.28 4.21 -1.28 -1.88 115.58 120.04 3ktd h ASN 282 Ca 0.05 -0.14 -0.00 0.00 1.21 0.00 0.00 56.30 57.42 3ktd h ASN 282 Cb 0.88 -0.16 0.00 0.00 -1.12 0.00 0.00 38.32 37.92 3ktd h ASN 282 CO 0.08 0.58 -0.01 1.23 -1.29 0.00 0.00 177.43 178.02 3ktd h GLY 283 N 0.60 -0.02 0.68 2.83 0.00 -1.03 -1.35 103.07 104.77 3ktd h GLY 283 Ca 0.16 0.01 0.05 0.00 0.00 0.00 0.00 47.33 47.55 3ktd h GLY 283 CO -0.02 -0.01 0.27 -1.82 0.00 0.00 0.00 176.54 174.96 3ktd h TYR 284 N -0.06 0.49 -0.50 5.60 3.20 -1.34 -0.24 116.97 124.12 3ktd h TYR 284 Ca -0.00 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.80 3ktd h TYR 284 Cb 0.05 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 3ktd h TYR 284 CO -0.07 0.23 -0.06 -0.09 -1.64 0.00 0.00 178.16 176.53 3ktd h ARG 285 N 0.52 0.92 -0.30 1.82 2.43 -1.23 -0.59 114.38 117.94 3ktd h ARG 285 Ca 0.25 -0.32 -0.04 0.00 -0.81 0.00 0.00 59.98 59.06 3ktd h ARG 285 Cb 0.17 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 3ktd h ARG 285 CO -0.18 0.98 0.05 0.77 -1.51 0.00 0.00 179.97 180.08 3ktd h SER 286 N 0.78 0.48 -0.72 -3.80 0.02 -0.90 -1.43 113.55 107.98 3ktd h SER 286 Ca 0.13 -0.26 0.01 0.00 -0.84 0.00 0.00 61.79 60.83 3ktd h SER 286 Cb 0.60 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.98 3ktd h SER 286 CO 0.04 0.61 0.47 -0.09 -1.14 0.00 0.00 176.83 176.72 3ktd h ARG 287 N 0.32 0.96 -0.51 3.45 9.65 -0.87 -1.48 114.38 125.91 3ktd h ARG 287 Ca 0.09 -0.06 -0.10 0.00 -1.10 0.00 0.00 59.98 58.81 3ktd h ARG 287 Cb 0.34 -0.21 -0.02 0.00 -1.39 0.00 0.00 29.97 28.69 3ktd h ARG 287 CO 0.01 0.64 -0.08 0.82 2.80 0.00 0.00 179.97 184.16 3ktd h ILE 288 N 0.99 1.27 -0.86 1.20 1.08 -0.77 -1.63 117.51 118.79 3ktd h ILE 288 Ca 0.27 -1.21 -0.01 0.00 -0.39 0.00 0.00 64.86 63.52 3ktd h ILE 288 Cb -0.10 1.01 -0.04 0.00 -3.07 0.00 0.00 36.82 34.62 3ktd h ILE 288 CO -0.06 0.42 0.51 0.03 -0.69 0.00 0.00 178.15 178.37 3ktd h ARG 289 N 0.81 1.17 0.30 2.37 3.08 -0.78 -0.61 114.38 120.72 3ktd h ARG 289 Ca 0.13 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 3ktd h ARG 289 Cb 0.63 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.44 3ktd h ARG 289 CO 0.04 0.82 -0.14 -0.92 -1.07 0.00 0.00 179.97 178.70 3ktd h TYR 290 N 1.19 -0.38 -0.58 3.04 3.20 -1.02 -3.02 116.97 119.41 3ktd h TYR 290 Ca 0.31 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.25 3ktd h TYR 290 Cb -0.04 0.12 -0.07 0.00 1.54 0.00 0.00 36.73 38.29 3ktd h TYR 290 CO 0.01 -0.09 0.21 0.93 -1.64 0.00 0.00 178.16 177.57 3ktd h GLU 291 N -0.63 0.38 -0.90 1.82 5.08 -1.19 -2.06 114.58 117.08 3ktd h GLU 291 Ca -0.04 -0.02 0.21 0.00 -1.00 0.00 0.00 59.36 58.51 3ktd h GLU 291 Cb 0.45 -0.09 -0.12 0.00 0.50 0.00 0.00 28.75 29.49 3ktd h GLU 291 CO 0.07 0.25 0.42 0.00 -1.00 0.00 0.00 179.01 178.75 3ktd h ALA 292 N 1.39 1.45 -0.94 3.43 0.00 -1.08 -0.57 119.26 122.94 3ktd h ALA 292 Ca 0.29 0.15 -0.61 0.00 0.00 0.00 0.00 54.91 54.74 3ktd h ALA 292 Cb 0.34 0.12 -0.28 0.00 0.00 0.00 0.00 17.79 17.97 3ktd h ALA 292 CO -0.29 -0.30 0.78 2.89 0.00 0.00 0.00 179.25 182.33 3ktd n ARG 293 N -5.01 2.50 0.00 0.00 1.85 -0.78 -4.52 116.66 110.69 3ktd n ARG 293 Ca 0.22 -3.03 0.00 0.00 -1.00 0.00 0.00 57.85 54.04 3ktd n ARG 293 Cb 0.63 -2.19 0.00 0.00 -1.05 0.00 0.00 32.46 29.85 3ktd n ARG 293 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 3ktd n SER 294 N -0.84 0.00 -4.36 2.89 7.64 -0.23 -3.95 113.62 114.78 3ktd n SER 294 Ca 0.59 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 60.28 3ktd n SER 294 Cb 0.87 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.96 3ktd n SER 294 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3ktd s GLY 295 N 0.00 1.52 0.00 0.23 0.00 -1.20 -2.37 107.32 105.50 3ktd s GLY 295 Ca 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 44.72 43.00 3ktd s GLY 295 CO 0.00 -1.77 0.00 0.61 0.00 0.00 0.00 173.10 171.94 3ktd n GLN 296 N -0.43 0.00 -3.82 2.90 0.00 -1.26 -4.75 117.38 110.02 3ktd n GLN 296 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 57.00 56.57 3ktd n GLN 296 Cb 0.61 0.00 -0.12 0.00 0.00 0.00 0.00 30.24 30.73 3ktd n GLN 296 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 3ktd s SER 309 N 0.00 5.15 -0.56 2.61 0.15 -1.00 -5.05 113.70 115.00 3ktd s SER 309 Ca 0.00 -1.94 0.01 0.00 0.70 0.00 0.00 55.95 54.72 3ktd s SER 309 Cb 0.00 -1.79 0.56 0.00 -1.71 0.00 0.00 66.02 63.07 3ktd s SER 309 CO 0.00 -0.49 1.98 -1.20 1.20 0.00 0.00 173.24 174.74 3ktd n SER 310 N 4.56 5.81 -4.75 5.45 7.64 -1.25 -4.92 113.62 126.15 3ktd n SER 310 Ca -0.03 -3.70 -0.41 0.00 1.01 0.00 0.00 58.87 55.74 3ktd n SER 310 Cb 0.42 -0.91 -0.03 0.00 -1.01 0.00 0.00 64.21 62.68 3ktd n SER 310 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3ktd s ARG 311 N -3.57 4.41 0.84 1.43 0.52 -1.26 -4.89 118.95 116.43 3ktd s ARG 311 Ca 0.61 2.07 -0.11 0.00 -0.52 0.00 0.00 55.73 57.78 3ktd s ARG 311 Cb 0.50 -3.16 0.10 0.00 0.52 0.00 0.00 34.95 32.91 3ktd s ARG 311 CO 0.05 -0.17 1.10 -1.25 0.02 0.00 0.00 175.30 175.05 3ktd s PRO 312 N -0.78 1.65 -0.13 3.54 0.04 -1.26 -4.81 135.00 133.24 3ktd s PRO 312 Ca 0.53 1.21 -0.01 0.00 0.04 0.00 0.00 61.00 62.77 3ktd s PRO 312 Cb -0.37 -1.82 0.04 0.00 0.04 0.00 0.00 34.50 32.38 3ktd s PRO 312 CO 0.43 -2.09 -0.03 0.54 0.04 0.00 0.00 177.00 175.89 3ktd s VAL 313 N -2.82 0.82 -0.11 -0.36 0.11 -1.26 -1.54 120.40 115.24 3ktd s VAL 313 Ca 0.63 -0.34 -0.04 0.00 -2.93 0.00 0.00 61.98 59.30 3ktd s VAL 313 Cb -0.19 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.62 3ktd s VAL 313 CO 0.57 0.18 0.06 -0.76 -3.33 0.00 0.00 175.10 171.82 3ktd s LEU 314 N 1.77 3.91 -0.39 2.54 1.02 -0.88 -5.00 118.68 121.65 3ktd s LEU 314 Ca 0.03 0.26 -0.13 0.00 0.02 0.00 0.00 54.13 54.31 3ktd s LEU 314 Cb -0.14 -1.93 0.02 0.00 0.02 0.00 0.00 46.19 44.16 3ktd s LEU 314 CO -0.07 0.36 0.25 -0.13 0.02 0.00 0.00 176.35 176.79 3ktd s ARG 315 N -0.78 2.95 0.38 1.70 0.52 -1.26 -2.25 118.95 120.21 3ktd s ARG 315 Ca 0.13 -1.01 -0.12 0.00 -0.52 0.00 0.00 55.73 54.20 3ktd s ARG 315 Cb -0.12 -3.85 -0.07 0.00 0.52 0.00 0.00 34.95 31.43 3ktd s ARG 315 CO 0.03 -0.70 0.76 -0.51 0.02 0.00 0.00 175.30 174.90 3ktd s LEU 316 N 1.63 3.90 -0.54 2.53 1.43 -1.02 -4.93 118.68 121.69 3ktd s LEU 316 Ca 0.04 1.19 0.06 0.00 -1.03 0.00 0.00 54.13 54.38 3ktd s LEU 316 Cb -0.19 -4.04 0.21 0.00 0.03 0.00 0.00 46.19 42.20 3ktd s LEU 316 CO 0.09 -0.34 0.52 1.41 0.23 0.00 0.00 176.35 178.26 3ktd n HIS 317 N -1.00 1.36 -1.49 0.29 8.25 -1.26 -1.92 115.22 119.45 3ktd n HIS 317 Ca 0.03 -3.83 -0.49 0.00 -0.26 0.00 0.00 57.72 53.17 3ktd n HIS 317 Cb 0.54 -0.31 -0.04 0.00 1.12 0.00 0.00 29.99 31.30 3ktd n HIS 317 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 3ktd n PRO 318 N 1.79 0.53 0.00 -0.41 -0.02 -1.26 -1.72 135.00 133.90 3ktd n PRO 318 Ca 0.25 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 3ktd n PRO 318 Cb 0.44 -1.45 0.00 0.00 -0.02 0.00 0.00 33.50 32.47 3ktd n PRO 318 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ktd n GLY 319 N 1.78 2.99 3.66 -1.23 0.00 -1.26 -5.06 105.19 106.07 3ktd n GLY 319 Ca 0.16 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 3ktd n GLY 319 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ktd n THR 320 N 0.00 2.54 -1.58 2.61 -1.04 -0.70 -4.90 114.28 111.20 3ktd n THR 320 Ca 0.00 -0.50 -0.44 0.00 -2.04 0.00 0.00 64.05 61.07 3ktd n THR 320 Cb 0.00 -1.38 -0.01 0.00 -1.82 0.00 0.00 70.33 67.12 3ktd n THR 320 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3ktd n PRO 321 N 0.07 1.29 -1.62 -2.82 -0.02 -1.26 -2.75 135.00 127.89 3ktd n PRO 321 Ca 0.08 0.46 -0.20 0.00 -2.02 0.00 0.00 63.50 61.81 3ktd n PRO 321 Cb 0.39 -1.86 -0.08 0.00 -0.02 0.00 0.00 33.50 31.93 3ktd n PRO 321 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3ktd n ASN 322 N 1.07 -5.39 0.00 2.55 3.02 -1.26 -4.84 115.26 110.40 3ktd n ASN 322 Ca 0.10 0.49 -0.02 0.00 -0.03 0.00 0.00 54.58 55.12 3ktd n ASN 322 Cb 0.34 -4.76 0.25 0.00 -0.61 0.00 0.00 39.78 35.00 3ktd n ASN 322 CO 0.00 0.00 0.00 4.11 -2.62 0.00 0.00 177.26 178.75 3ktd h TRP 323 N 0.00 0.56 -0.85 3.10 5.08 -1.84 -2.86 115.95 119.13 3ktd h TRP 323 Ca -0.42 -0.08 0.16 0.00 1.08 0.00 0.00 58.89 59.63 3ktd h TRP 323 Cb 1.33 -0.15 -0.10 0.00 -3.00 0.00 0.00 29.16 27.24 3ktd h TRP 323 CO 0.57 0.61 0.42 0.93 -1.28 0.00 0.00 178.44 179.69 3ktd h GLU 324 N 0.48 0.54 0.00 0.12 3.07 -1.88 0.31 114.58 117.23 3ktd h GLU 324 Ca 0.09 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.92 3ktd h GLU 324 Cb 0.47 -0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 28.26 3ktd h GLU 324 CO 0.03 0.36 -0.01 0.87 -1.40 0.00 0.00 179.01 178.85 3ktd h LYS 325 N 0.56 0.00 0.00 2.33 6.56 -1.91 0.37 116.57 124.48 3ktd h LYS 325 Ca 0.48 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 60.04 3ktd h LYS 325 Cb 0.75 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.40 3ktd h LYS 325 CO -0.40 0.01 -0.18 1.96 -2.06 0.00 0.00 179.45 178.78 3ktd h GLN 326 N 0.00 0.00 -0.51 3.15 1.08 -1.06 -1.83 115.11 115.95 3ktd h GLN 326 Ca -0.00 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.08 3ktd h GLN 326 Cb 0.03 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.45 3ktd h GLN 326 CO 0.00 0.18 -0.17 -0.07 -0.95 0.00 0.00 178.83 177.82 3ktd h LEU 327 N 0.00 1.03 -0.51 1.46 3.38 -0.97 -0.23 115.31 119.47 3ktd h LEU 327 Ca -0.00 -0.38 -0.14 0.00 0.09 0.00 0.00 57.88 57.45 3ktd h LEU 327 Cb 0.47 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3ktd h LEU 327 CO 0.02 1.17 -0.31 0.40 0.09 0.00 0.00 178.44 179.81 3ktd h ILE 328 N 0.88 1.27 -0.65 1.22 2.04 -1.52 -1.29 117.51 119.47 3ktd h ILE 328 Ca 0.12 -1.47 -0.04 0.00 1.00 0.00 0.00 64.86 64.48 3ktd h ILE 328 Cb 0.74 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 38.09 3ktd h ILE 328 CO 0.06 0.49 0.26 -0.74 0.00 0.00 0.00 178.15 178.22 3ktd h HIS 329 N 0.74 0.96 -0.24 1.37 2.76 -1.22 -1.07 115.15 118.44 3ktd h HIS 329 Ca 0.08 -0.06 -0.16 0.00 -2.20 0.00 0.00 60.37 58.03 3ktd h HIS 329 Cb 0.87 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 29.54 3ktd h HIS 329 CO 0.05 0.73 -0.50 0.00 -1.30 0.00 0.00 177.93 176.92 3ktd h ALA 330 N 1.35 0.67 -0.09 5.26 0.00 -0.85 -2.86 119.26 122.74 3ktd h ALA 330 Ca 0.22 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 3ktd h ALA 330 Cb 0.18 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3ktd h ALA 330 CO -0.02 0.68 0.05 1.49 0.00 0.00 0.00 179.25 181.44 3ktd h GLU 331 N 0.52 0.13 -0.65 0.00 4.81 -0.69 0.39 114.58 119.09 3ktd h GLU 331 Ca 0.02 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3ktd h GLU 331 Cb 1.05 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.38 3ktd h GLU 331 CO 0.10 0.19 0.37 1.15 -0.73 0.00 0.00 179.01 180.09 3ktd h THR 332 N 0.04 1.19 0.00 0.32 2.02 -1.24 -2.79 112.91 112.45 3ktd h THR 332 Ca 0.03 -0.47 0.00 0.00 0.77 0.00 0.00 66.41 66.74 3ktd h THR 332 Cb 0.10 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 66.81 3ktd h THR 332 CO -0.00 0.21 -0.68 0.18 0.37 0.00 0.00 175.52 175.60 3ktd n LEU 333 N -4.38 0.61 -1.40 2.58 4.77 -1.08 -4.94 117.00 113.15 3ktd n LEU 333 Ca 0.06 -0.04 -0.14 0.00 -0.03 0.00 0.00 56.01 55.87 3ktd n LEU 333 Cb 0.09 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 40.97 3ktd n LEU 333 CO 0.37 0.10 -0.16 0.61 -1.33 0.00 0.00 177.39 176.98 3ktd n GLY 334 N 1.45 0.41 3.77 -0.72 0.00 0.11 -4.82 105.19 105.38 3ktd n GLY 334 Ca 0.04 -0.32 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 3ktd n GLY 334 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ktd s ALA 335 N -2.63 3.31 0.57 4.61 0.00 0.48 -4.68 121.76 123.42 3ktd s ALA 335 Ca 0.00 0.94 -0.08 0.00 0.00 0.00 0.00 51.96 52.83 3ktd s ALA 335 Cb 0.00 -3.36 -0.02 0.00 0.00 0.00 0.00 23.12 19.74 3ktd s ALA 335 CO 0.00 -0.33 0.92 -0.98 0.00 0.00 0.00 175.76 175.37 3ktd s ARG 336 N -1.85 3.33 0.13 0.00 1.70 -0.59 -4.28 118.95 117.39 3ktd s ARG 336 Ca 0.50 0.34 0.06 0.00 -0.47 0.00 0.00 55.73 56.16 3ktd s ARG 336 Cb -0.31 -2.22 -0.04 0.00 -0.57 0.00 0.00 34.95 31.80 3ktd s ARG 336 CO 0.40 -0.53 -0.14 0.96 -1.08 0.00 0.00 175.30 174.91 3ktd s ILE 337 N -3.00 1.39 -0.07 4.99 -4.36 0.88 -2.08 121.20 118.95 3ktd s ILE 337 Ca 0.52 -1.77 -0.00 0.00 -0.26 0.00 0.00 60.65 59.14 3ktd s ILE 337 Cb -0.11 -1.60 0.03 0.00 1.25 0.00 0.00 42.46 42.03 3ktd s ILE 337 CO 0.48 -0.43 -0.03 -1.61 0.24 0.00 0.00 174.94 173.60 3ktd s GLU 338 N -2.77 0.83 -0.28 0.37 0.41 -0.95 -4.41 118.70 111.89 3ktd s GLU 338 Ca 0.11 -0.02 -0.13 0.00 -0.41 0.00 0.00 54.97 54.52 3ktd s GLU 338 Cb -0.04 -1.03 -0.04 0.00 -1.78 0.00 0.00 34.13 31.23 3ktd s GLU 338 CO 0.03 -0.23 0.26 0.14 -0.49 0.00 0.00 175.26 174.98 3ktd s VAL 339 N 1.60 5.25 -2.19 2.63 -7.23 -1.26 -2.43 120.40 116.77 3ktd s VAL 339 Ca -0.00 0.31 0.18 0.00 -1.81 0.00 0.00 61.98 60.66 3ktd s VAL 339 Cb -0.13 -3.60 0.14 0.00 0.56 0.00 0.00 36.38 33.35 3ktd s VAL 339 CO -0.04 0.20 1.06 0.49 -0.31 0.00 0.00 175.10 176.50