#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kpi n ALA 2 N 0.00 1.02 -2.65 -5.12 0.00 -1.26 -4.71 120.51 107.79 3kpi n ALA 2 Ca 0.00 0.43 -0.38 0.00 0.00 0.00 0.00 53.44 53.49 3kpi n ALA 2 Cb 0.00 -2.28 -0.09 0.00 0.00 0.00 0.00 19.45 17.09 3kpi n ALA 2 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3kpi s HIS 3 N 0.24 3.32 -0.18 0.00 2.46 -1.26 -3.94 115.29 115.93 3kpi s HIS 3 Ca 0.72 0.40 -0.04 0.00 0.47 0.00 0.00 55.06 56.60 3kpi s HIS 3 Cb -0.68 -2.42 -0.03 0.00 -0.13 0.00 0.00 32.58 29.33 3kpi s HIS 3 CO 0.46 -0.01 -0.02 0.08 -2.47 0.00 0.00 174.74 172.78 3kpi s VAL 4 N 1.33 3.91 -0.12 0.89 1.01 -0.28 -0.92 120.40 126.21 3kpi s VAL 4 Ca 0.13 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.78 3kpi s VAL 4 Cb -0.14 -2.74 -0.01 0.00 0.00 0.00 0.00 36.38 33.49 3kpi s VAL 4 CO 0.07 0.46 -0.15 -0.69 0.00 0.00 0.00 175.10 174.79 3kpi s VAL 5 N 0.66 2.83 -0.19 2.92 1.01 -0.12 -0.82 120.40 126.69 3kpi s VAL 5 Ca -0.01 -0.74 -0.04 0.00 0.00 0.00 0.00 61.98 61.19 3kpi s VAL 5 Cb -0.14 -2.17 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 3kpi s VAL 5 CO 0.02 0.53 -0.04 -0.63 0.00 0.00 0.00 175.10 174.98 3kpi s ILE 6 N 0.36 3.60 -0.46 2.22 1.01 0.75 -0.00 121.20 128.68 3kpi s ILE 6 Ca -0.13 -0.44 -0.13 0.00 0.00 0.00 0.00 60.65 59.96 3kpi s ILE 6 Cb -0.16 -2.61 0.09 0.00 0.01 0.00 0.00 42.46 39.79 3kpi s ILE 6 CO 0.06 0.45 0.36 -0.22 0.00 0.00 0.00 174.94 175.59 3kpi s LEU 7 N 0.95 5.55 0.00 2.97 0.20 -0.42 -1.03 118.68 126.89 3kpi s LEU 7 Ca -0.00 -1.52 0.00 0.00 0.69 0.00 0.00 54.13 53.30 3kpi s LEU 7 Cb -0.15 -2.10 0.00 0.00 -0.43 0.00 0.00 46.19 43.52 3kpi s LEU 7 CO 0.01 -0.64 0.00 0.61 -0.29 0.00 0.00 176.35 176.04 3kpi n GLY 8 N 5.08 2.68 2.77 7.98 0.00 0.12 -0.46 105.19 123.36 3kpi n GLY 8 Ca -0.11 -1.10 -0.39 0.00 0.00 0.00 0.00 46.02 44.43 3kpi n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kpi n ALA 9 N 0.92 5.48 -2.65 4.61 0.00 -1.26 -3.79 120.51 123.83 3kpi n ALA 9 Ca 0.00 -4.70 0.00 0.00 0.00 0.00 0.00 53.44 48.74 3kpi n ALA 9 Cb 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 17.51 3kpi n ALA 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kpi n GLY 10 N 0.38 4.27 0.36 0.00 0.00 -1.26 -4.56 105.19 104.38 3kpi n GLY 10 Ca 0.37 -1.88 0.08 0.00 0.00 0.00 0.00 46.02 44.60 3kpi n GLY 10 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3kpi h THR 11 N 0.00 0.97 0.07 2.61 2.02 -1.93 -2.05 112.91 114.59 3kpi h THR 11 Ca 0.00 -0.27 -0.31 0.00 0.77 0.00 0.00 66.41 66.61 3kpi h THR 11 Cb 0.00 0.12 -0.03 0.00 -1.74 0.00 0.00 68.15 66.51 3kpi h THR 11 CO 0.00 0.14 -1.67 0.61 0.37 0.00 0.00 175.52 174.98 3kpi n GLY 12 N -1.44 -0.69 0.25 2.16 0.00 -1.26 -4.42 105.19 99.79 3kpi n GLY 12 Ca 0.13 -0.09 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 3kpi n GLY 12 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3kpi h GLY 13 N 0.08 0.90 0.93 -0.02 0.00 -1.62 -1.60 103.07 101.75 3kpi h GLY 13 Ca -0.40 -0.75 -0.02 0.00 0.00 0.00 0.00 47.33 46.16 3kpi h GLY 13 CO -0.06 0.68 -0.24 -0.33 0.00 0.00 0.00 176.54 176.59 3kpi h MET 14 N 0.66 -0.66 -0.62 4.80 2.86 -1.51 -0.34 114.93 120.12 3kpi h MET 14 Ca 0.11 0.04 0.10 0.00 -2.06 0.00 0.00 59.70 57.89 3kpi h MET 14 Cb 0.65 0.15 -0.04 0.00 0.06 0.00 0.00 31.60 32.42 3kpi h MET 14 CO 0.04 -0.40 0.41 -1.35 1.06 0.00 0.00 176.91 176.67 3kpi h PRO 15 N -0.76 0.44 -0.31 -0.22 0.11 -1.76 -1.79 132.00 127.70 3kpi h PRO 15 Ca -0.07 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.91 3kpi h PRO 15 Cb 0.56 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 3kpi h PRO 15 CO 0.11 0.29 -0.24 0.00 -0.21 0.00 0.00 178.00 177.95 3kpi h ALA 16 N 1.69 1.00 -0.28 -0.75 0.00 -0.51 0.28 119.26 120.68 3kpi h ALA 16 Ca 0.28 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3kpi h ALA 16 Cb 0.52 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3kpi h ALA 16 CO -0.08 0.59 0.00 0.00 0.00 0.00 0.00 179.25 179.76 3kpi h ALA 17 N 1.21 0.37 -0.38 0.00 0.00 -0.23 0.10 119.26 120.33 3kpi h ALA 17 Ca 0.08 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3kpi h ALA 17 Cb 0.70 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3kpi h ALA 17 CO 0.05 0.11 0.20 1.88 0.00 0.00 0.00 179.25 181.49 3kpi h TYR 18 N 0.27 0.52 -0.37 0.00 0.05 -1.13 -1.75 116.97 114.57 3kpi h TYR 18 Ca 0.08 -0.01 -0.09 0.00 0.05 0.00 0.00 58.73 58.75 3kpi h TYR 18 Cb 0.42 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 37.97 3kpi h TYR 18 CO 0.03 0.41 -0.14 0.93 -1.05 0.00 0.00 178.16 178.34 3kpi h GLU 19 N 0.48 0.67 -0.32 4.88 5.08 -0.82 -1.23 114.58 123.32 3kpi h GLU 19 Ca 0.13 -0.22 -0.07 0.00 -1.00 0.00 0.00 59.36 58.20 3kpi h GLU 19 Cb 0.07 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3kpi h GLU 19 CO -0.02 0.79 -0.08 1.98 -1.00 0.00 0.00 179.01 180.68 3kpi h MET 20 N 0.61 0.61 -0.29 2.33 4.05 -0.58 -0.96 114.93 120.69 3kpi h MET 20 Ca 0.10 -0.24 -0.05 0.00 -0.28 0.00 0.00 59.70 59.24 3kpi h MET 20 Cb 0.59 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.34 3kpi h MET 20 CO 0.04 0.80 -0.01 -0.22 0.23 0.00 0.00 176.91 177.74 3kpi h LYS 21 N 0.39 0.53 -0.76 0.39 1.63 -1.18 -1.63 116.57 115.94 3kpi h LYS 21 Ca 0.08 -0.18 0.04 0.00 -0.85 0.00 0.00 60.65 59.74 3kpi h LYS 21 Cb 0.57 -0.04 -0.05 0.00 -0.60 0.00 0.00 32.23 32.11 3kpi h LYS 21 CO 0.03 0.69 0.48 1.49 -3.45 0.00 0.00 179.45 178.68 3kpi h GLU 22 N 0.32 0.89 0.00 1.90 4.57 -1.20 -0.11 114.58 120.94 3kpi h GLU 22 Ca 0.08 -0.05 -0.09 0.00 -1.18 0.00 0.00 59.36 58.12 3kpi h GLU 22 Cb 0.46 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 3kpi h GLU 22 CO 0.02 0.59 -0.43 0.00 -1.18 0.00 0.00 179.01 178.01 3kpi h ALA 23 N 1.33 1.13 0.00 2.92 0.00 -0.85 -3.32 119.26 120.47 3kpi h ALA 23 Ca 0.31 -0.39 -0.21 0.00 0.00 0.00 0.00 54.91 54.62 3kpi h ALA 23 Cb 0.05 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3kpi h ALA 23 CO -0.13 0.53 -2.10 1.28 0.00 0.00 0.00 179.25 178.84 3kpi n LEU 24 N -3.79 0.00 0.00 0.00 4.32 -0.64 -5.09 117.00 111.80 3kpi n LEU 24 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.98 3kpi n LEU 24 Cb 0.49 0.29 0.00 0.00 -1.62 0.00 0.00 43.42 42.58 3kpi n LEU 24 CO 0.38 0.29 0.00 0.61 -1.22 0.00 0.00 177.39 177.45 3kpi n GLY 25 N 1.75 -1.81 0.24 -0.72 0.00 -0.08 -4.37 105.19 100.19 3kpi n GLY 25 Ca -0.20 -1.33 0.12 0.00 0.00 0.00 0.00 46.02 44.60 3kpi n GLY 25 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kpi h SER 26 N 0.00 0.00 0.66 1.61 4.64 -1.96 -3.05 113.55 115.46 3kpi h SER 26 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kpi h SER 26 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3kpi h SER 26 CO 0.00 0.17 0.00 0.61 -0.87 0.00 0.00 176.83 176.74 3kpi n GLY 27 N -0.02 -1.16 3.23 -0.77 0.00 -1.26 -4.71 105.19 100.50 3kpi n GLY 27 Ca -0.00 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 3kpi n GLY 27 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kpi s HIS 28 N -3.08 2.45 0.14 1.61 4.02 -1.15 -4.77 115.29 114.51 3kpi s HIS 28 Ca 0.07 -0.91 -0.31 0.00 1.02 0.00 0.00 55.06 54.94 3kpi s HIS 28 Cb 0.11 -1.63 -0.08 0.00 -1.02 0.00 0.00 32.58 29.95 3kpi s HIS 28 CO 0.34 -0.34 1.35 -2.00 1.02 0.00 0.00 174.74 175.12 3kpi s GLU 29 N 0.18 4.35 -0.17 1.40 2.12 -1.25 -4.84 118.70 120.49 3kpi s GLU 29 Ca -0.13 2.06 0.01 0.00 0.36 0.00 0.00 54.97 57.26 3kpi s GLU 29 Cb -0.16 -3.23 0.02 0.00 0.26 0.00 0.00 34.13 31.02 3kpi s GLU 29 CO 0.07 -0.37 -0.17 0.08 -0.54 0.00 0.00 175.26 174.33 3kpi s VAL 30 N 0.76 1.84 -0.14 3.70 1.01 -1.26 -1.13 120.40 125.18 3kpi s VAL 30 Ca 0.62 -0.81 -0.01 0.00 0.00 0.00 0.00 61.98 61.78 3kpi s VAL 30 Cb -0.36 -1.69 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 3kpi s VAL 30 CO 0.33 0.50 -0.11 -0.89 0.00 0.00 0.00 175.10 174.92 3kpi s THR 31 N 1.38 3.20 -0.22 3.92 2.01 -0.00 -0.95 115.64 124.97 3kpi s THR 31 Ca 0.05 -0.61 -0.06 0.00 0.31 0.00 0.00 61.69 61.38 3kpi s THR 31 Cb -0.13 -2.36 -0.02 0.00 0.01 0.00 0.00 72.50 70.00 3kpi s THR 31 CO -0.12 0.52 0.02 -0.22 -0.69 0.00 0.00 174.62 174.13 3kpi s LEU 32 N 0.40 3.28 -0.15 4.42 2.96 0.79 -0.18 118.68 130.19 3kpi s LEU 32 Ca -0.09 -0.23 -0.01 0.00 -0.22 0.00 0.00 54.13 53.58 3kpi s LEU 32 Cb -0.16 -1.85 -0.01 0.00 0.50 0.00 0.00 46.19 44.67 3kpi s LEU 32 CO 0.05 0.01 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.34 3kpi s ILE 33 N 1.31 2.96 0.01 6.68 1.01 -0.20 -0.27 121.20 132.71 3kpi s ILE 33 Ca 0.04 -0.67 -0.05 0.00 0.00 0.00 0.00 60.65 59.97 3kpi s ILE 33 Cb -0.15 -2.27 -0.01 0.00 0.01 0.00 0.00 42.46 40.05 3kpi s ILE 33 CO 0.02 0.50 0.08 -0.55 0.00 0.00 0.00 174.94 174.99 3kpi s SER 34 N 0.71 0.11 0.36 3.58 0.15 -0.48 0.14 113.70 118.27 3kpi s SER 34 Ca -0.06 -0.33 0.04 0.00 0.70 0.00 0.00 55.95 56.31 3kpi s SER 34 Cb -0.15 0.17 0.68 0.00 -1.71 0.00 0.00 66.02 65.01 3kpi s SER 34 CO 0.02 -0.36 1.97 0.00 1.20 0.00 0.00 173.24 176.06 3kpi h ALA 35 N 4.32 1.52 -2.60 5.45 0.00 -1.85 0.38 119.26 126.48 3kpi h ALA 35 Ca -0.31 -0.10 -0.58 0.00 0.00 0.00 0.00 54.91 53.91 3kpi h ALA 35 Cb 1.20 -0.19 -0.11 0.00 0.00 0.00 0.00 17.79 18.69 3kpi h ALA 35 CO 0.42 0.39 -0.66 -0.80 0.00 0.00 0.00 179.25 178.59 3kpi s ASN 36 N -6.64 4.63 0.00 0.00 0.02 -1.26 -4.46 114.94 107.23 3kpi s ASN 36 Ca -0.09 -0.52 0.18 0.00 -1.02 0.00 0.00 52.86 51.41 3kpi s ASN 36 Cb 0.17 -0.91 0.54 0.00 0.02 0.00 0.00 41.25 41.07 3kpi s ASN 36 CO 0.76 0.05 1.43 -0.90 0.02 0.00 0.00 177.10 178.45 3kpi n ASP 37 N -0.45 2.18 -4.30 -1.22 5.68 -1.26 -4.81 116.55 112.37 3kpi n ASP 37 Ca -0.08 -1.87 -0.22 0.00 -0.50 0.00 0.00 54.79 52.11 3kpi n ASP 37 Cb 0.57 -0.20 -0.12 0.00 -1.14 0.00 0.00 41.12 40.23 3kpi n ASP 37 CO 0.00 0.00 0.00 -0.72 -1.33 0.00 0.00 177.20 175.15 3kpi s TYR 38 N -1.59 1.73 0.18 2.11 -0.85 -1.26 -1.02 117.35 116.64 3kpi s TYR 38 Ca 0.32 -0.46 -0.11 0.00 -0.52 0.00 0.00 57.07 56.29 3kpi s TYR 38 Cb 0.17 -0.90 -0.07 0.00 0.38 0.00 0.00 41.96 41.54 3kpi s TYR 38 CO 0.24 0.25 0.53 0.12 -1.52 0.00 0.00 175.55 175.17 3kpi s PHE 39 N -1.71 3.52 -0.01 -3.49 5.36 0.57 -4.86 117.98 117.35 3kpi s PHE 39 Ca 0.11 0.93 0.03 0.00 -0.96 0.00 0.00 56.93 57.04 3kpi s PHE 39 Cb -0.07 -2.28 -0.00 0.00 -0.34 0.00 0.00 43.02 40.32 3kpi s PHE 39 CO 0.05 0.37 -0.10 1.14 -1.46 0.00 0.00 175.22 175.22 3kpi s GLN 40 N -2.36 0.85 -0.79 10.12 -2.07 -1.26 -1.64 119.66 122.50 3kpi s GLN 40 Ca 0.42 -0.34 -0.22 0.00 -1.82 0.00 0.00 55.36 53.39 3kpi s GLN 40 Cb -0.13 -0.81 0.08 0.00 -1.09 0.00 0.00 33.01 31.05 3kpi s GLN 40 CO 0.20 0.19 1.12 0.12 -1.32 0.00 0.00 175.29 175.60 3kpi s PHE 41 N -0.13 2.72 0.23 9.60 5.36 0.61 -4.86 117.98 131.51 3kpi s PHE 41 Ca 0.02 -0.76 -0.07 0.00 -0.96 0.00 0.00 56.93 55.17 3kpi s PHE 41 Cb -0.05 -4.39 0.35 0.00 -0.34 0.00 0.00 43.02 38.59 3kpi s PHE 41 CO -0.00 -1.70 1.77 0.28 -1.46 0.00 0.00 175.22 174.11 3kpi h VAL 42 N 6.06 0.82 0.00 3.12 2.07 -1.91 -1.54 116.25 124.86 3kpi h VAL 42 Ca -0.10 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.23 3kpi h VAL 42 Cb 1.05 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 3kpi h VAL 42 CO 1.21 0.10 0.00 -2.65 0.02 0.00 0.00 177.57 176.25 3kpi n PRO 43 N -4.89 0.06 0.00 1.57 -0.02 -1.26 -0.77 135.00 129.69 3kpi n PRO 43 Ca 0.11 0.52 0.13 0.00 -2.02 0.00 0.00 63.50 62.24 3kpi n PRO 43 Cb 0.29 -1.69 0.34 0.00 -0.02 0.00 0.00 33.50 32.43 3kpi n PRO 43 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3kpi n SER 44 N -1.82 0.92 -0.22 2.55 7.64 -0.58 -4.37 113.62 117.74 3kpi n SER 44 Ca -0.00 -0.76 -0.00 0.00 1.01 0.00 0.00 58.87 59.11 3kpi n SER 44 Cb 0.04 0.17 0.22 0.00 -1.01 0.00 0.00 64.21 63.63 3kpi n SER 44 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 3kpi h ASN 45 N 0.95 0.88 -1.00 6.43 2.35 -1.09 -2.31 115.58 121.80 3kpi h ASN 45 Ca 0.00 -0.05 0.04 0.00 -0.55 0.00 0.00 56.30 55.74 3kpi h ASN 45 Cb 0.51 -0.22 -0.06 0.00 0.05 0.00 0.00 38.32 38.59 3kpi h ASN 45 CO 0.00 0.68 0.65 -0.65 -1.65 0.00 0.00 177.43 176.46 3kpi h PRO 46 N 1.02 1.21 -0.42 0.81 0.11 -1.76 0.34 132.00 133.30 3kpi h PRO 46 Ca 0.27 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 66.26 3kpi h PRO 46 Cb -0.04 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 30.77 3kpi h PRO 46 CO -0.05 0.80 0.06 -1.49 -0.21 0.00 0.00 178.00 177.10 3kpi h TRP 47 N 1.24 0.66 -0.65 0.65 4.06 -1.73 -1.45 115.95 118.74 3kpi h TRP 47 Ca 0.40 -0.06 -0.05 0.00 2.06 0.00 0.00 58.89 61.25 3kpi h TRP 47 Cb 0.04 -0.19 -0.03 0.00 -1.00 0.00 0.00 29.16 27.97 3kpi h TRP 47 CO -0.00 0.60 0.22 0.28 -3.56 0.00 0.00 178.44 175.98 3kpi h VAL 48 N 0.62 1.24 0.00 1.49 2.07 -0.78 0.18 116.25 121.07 3kpi h VAL 48 Ca 0.14 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.87 3kpi h VAL 48 Cb 0.31 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 3kpi h VAL 48 CO 0.00 0.31 0.00 1.23 0.02 0.00 0.00 177.57 179.13 3kpi h GLY 49 N 1.04 0.00 -0.52 2.17 0.00 0.11 -1.68 103.07 104.19 3kpi h GLY 49 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 3kpi h GLY 49 CO -0.01 0.00 0.00 1.55 0.00 0.00 0.00 176.54 178.08 3kpi n VAL 50 N -2.62 0.86 -1.02 4.60 3.14 -1.01 -3.01 118.33 119.26 3kpi n VAL 50 Ca -0.01 -0.93 -0.01 0.00 -2.96 0.00 0.00 64.34 60.44 3kpi n VAL 50 Cb 0.14 0.59 -0.00 0.00 -1.06 0.00 0.00 33.84 33.50 3kpi n VAL 50 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3kpi n GLY 51 N -0.02 0.48 0.07 7.55 0.00 -0.63 -4.91 105.19 107.73 3kpi n GLY 51 Ca 0.05 -0.29 0.13 0.00 0.00 0.00 0.00 46.02 45.90 3kpi n GLY 51 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3kpi n TRP 52 N -2.91 0.61 -4.06 1.61 7.02 0.01 -4.85 117.44 114.88 3kpi n TRP 52 Ca -0.01 0.18 -0.07 0.00 -1.02 0.00 0.00 57.50 56.58 3kpi n TRP 52 Cb 0.06 -0.72 -0.10 0.00 -2.42 0.00 0.00 31.31 28.12 3kpi n TRP 52 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 3kpi s LYS 53 N -3.11 0.57 0.15 -0.99 1.02 -1.12 -4.93 119.74 111.33 3kpi s LYS 53 Ca 0.09 -1.10 0.07 0.00 0.02 0.00 0.00 55.97 55.05 3kpi s LYS 53 Cb 0.14 0.20 -0.04 0.00 -0.52 0.00 0.00 37.83 37.61 3kpi s LYS 53 CO 0.65 -0.11 0.01 -1.21 -0.92 0.00 0.00 175.35 173.77 3kpi s GLU 54 N -3.49 2.46 0.25 1.68 0.41 -1.26 -4.23 118.70 114.52 3kpi s GLU 54 Ca 0.03 -1.03 -0.10 0.00 -0.41 0.00 0.00 54.97 53.46 3kpi s GLU 54 Cb 0.05 -2.42 0.37 0.00 -1.78 0.00 0.00 34.13 30.35 3kpi s GLU 54 CO -0.08 0.48 1.59 -0.09 -0.49 0.00 0.00 175.26 176.66 3kpi h ARG 55 N 2.87 0.00 0.00 1.61 2.43 -1.96 0.43 114.38 119.77 3kpi h ARG 55 Ca -0.47 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 3kpi h ARG 55 Cb 1.19 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 3kpi h ARG 55 CO 0.58 0.00 0.00 -0.40 -1.51 0.00 0.00 179.97 178.64 3kpi n ASP 56 N -5.55 0.00 0.14 -3.80 5.68 -1.26 -1.03 116.55 110.74 3kpi n ASP 56 Ca 0.13 -0.82 0.10 0.00 -0.50 0.00 0.00 54.79 53.69 3kpi n ASP 56 Cb 0.43 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 40.46 3kpi n ASP 56 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3kpi h ASP 57 N 0.00 0.00 0.00 -1.12 3.32 -1.31 -3.40 116.42 113.91 3kpi h ASP 57 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3kpi h ASP 57 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3kpi h ASP 57 CO 0.00 0.11 0.00 2.30 -1.72 0.00 0.00 179.24 179.93 3kpi n ILE 58 N -2.90 0.12 -4.05 0.35 -5.35 -0.19 -5.04 119.36 102.30 3kpi n ILE 58 Ca 0.01 -0.30 -0.13 0.00 -0.27 0.00 0.00 62.75 62.06 3kpi n ILE 58 Cb 0.59 1.33 -0.12 0.00 -1.74 0.00 0.00 39.64 39.70 3kpi n ILE 58 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kpi s ALA 59 N -0.12 0.43 0.01 -1.28 0.00 -0.47 -0.28 121.76 120.05 3kpi s ALA 59 Ca 0.00 -0.61 -0.20 0.00 0.00 0.00 0.00 51.96 51.14 3kpi s ALA 59 Cb 0.00 0.04 0.04 0.00 0.00 0.00 0.00 23.12 23.20 3kpi s ALA 59 CO 0.00 -0.03 0.46 -0.59 0.00 0.00 0.00 175.76 175.60 3kpi s PHE 60 N -1.15 -0.35 0.23 0.00 -0.71 -0.65 -4.68 117.98 110.68 3kpi s PHE 60 Ca -0.09 0.45 -0.31 0.00 -1.04 0.00 0.00 56.93 55.94 3kpi s PHE 60 Cb -0.08 0.25 -0.11 0.00 -1.21 0.00 0.00 43.02 41.87 3kpi s PHE 60 CO 0.00 -0.55 1.56 -2.14 -1.34 0.00 0.00 175.22 172.75 3kpi s PRO 61 N -1.95 4.19 0.01 1.99 0.02 -1.26 -0.31 135.00 137.69 3kpi s PRO 61 Ca -0.08 2.44 -0.10 0.00 0.02 0.00 0.00 61.00 63.28 3kpi s PRO 61 Cb -0.02 -3.09 -0.31 0.00 0.02 0.00 0.00 34.50 31.10 3kpi s PRO 61 CO 0.02 -0.58 0.88 0.82 -0.33 0.00 0.00 177.00 177.81 3kpi h ILE 62 N 3.65 1.17 -0.27 2.83 2.04 -1.41 -3.43 117.51 122.09 3kpi h ILE 62 Ca -0.45 -2.71 0.04 0.00 1.00 0.00 0.00 64.86 62.74 3kpi h ILE 62 Cb 1.21 2.88 -0.07 0.00 -0.74 0.00 0.00 36.82 40.10 3kpi h ILE 62 CO 0.84 0.84 -0.51 -0.09 0.00 0.00 0.00 178.15 179.23 3kpi h ARG 63 N 0.11 -0.43 -0.96 2.37 2.43 -1.93 -0.46 114.38 115.52 3kpi h ARG 63 Ca -0.27 0.03 0.12 0.00 -0.81 0.00 0.00 59.98 59.05 3kpi h ARG 63 Cb 2.09 0.10 -0.08 0.00 -0.42 0.00 0.00 29.97 31.66 3kpi h ARG 63 CO 0.21 -0.28 0.61 1.25 -1.51 0.00 0.00 179.97 180.25 3kpi h HIS 64 N -0.44 1.04 -0.04 2.20 2.76 -1.98 -1.26 115.15 117.43 3kpi h HIS 64 Ca 0.05 0.03 -0.13 0.00 -2.20 0.00 0.00 60.37 58.12 3kpi h HIS 64 Cb 0.59 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 29.20 3kpi h HIS 64 CO -0.66 0.43 -0.58 1.88 -1.30 0.00 0.00 177.93 177.69 3kpi h TYR 65 N 0.91 0.18 0.03 5.26 0.05 -1.35 -2.44 116.97 119.61 3kpi h TYR 65 Ca 0.47 -0.07 -0.31 0.00 0.05 0.00 0.00 58.73 58.87 3kpi h TYR 65 Cb 0.51 -0.03 -0.04 0.00 1.01 0.00 0.00 36.73 38.17 3kpi h TYR 65 CO -0.00 0.69 -1.81 1.33 -1.05 0.00 0.00 178.16 177.32 3kpi n VAL 66 N -3.87 1.64 -0.15 -2.88 0.24 -1.03 -4.03 118.33 108.25 3kpi n VAL 66 Ca -0.02 -0.77 -0.06 0.00 -2.04 0.00 0.00 64.34 61.45 3kpi n VAL 66 Cb 0.59 -1.16 0.10 0.00 -1.47 0.00 0.00 33.84 31.91 3kpi n VAL 66 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 3kpi h GLU 67 N 0.01 0.90 0.00 7.34 5.08 -1.24 -0.60 114.58 126.08 3kpi h GLU 67 Ca -0.33 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 57.76 3kpi h GLU 67 Cb 2.03 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 31.19 3kpi h GLU 67 CO 0.08 0.91 0.00 2.89 -1.00 0.00 0.00 179.01 181.88 3kpi n ARG 68 N -4.19 0.12 -0.03 2.33 1.85 -0.92 -0.55 116.66 115.27 3kpi n ARG 68 Ca 0.03 0.19 0.06 0.00 -1.00 0.00 0.00 57.85 57.12 3kpi n ARG 68 Cb 0.33 -1.50 0.07 0.00 -1.05 0.00 0.00 32.46 30.31 3kpi n ARG 68 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 3kpi n LYS 69 N -1.26 0.99 -0.22 2.89 3.00 -0.31 -4.96 118.16 118.31 3kpi n LYS 69 Ca 0.04 -1.33 0.00 0.00 -0.00 0.00 0.00 58.31 57.02 3kpi n LYS 69 Cb 0.06 -1.22 0.00 0.00 0.00 0.00 0.00 35.03 33.87 3kpi n LYS 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3kpi n GLY 70 N 0.60 0.73 3.77 3.14 0.00 0.28 -4.92 105.19 108.79 3kpi n GLY 70 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 3kpi n GLY 70 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kpi s ILE 71 N -2.25 4.93 -0.17 -0.61 1.01 -0.76 -4.68 121.20 118.66 3kpi s ILE 71 Ca 0.00 1.19 -0.23 0.00 0.00 0.00 0.00 60.65 61.61 3kpi s ILE 71 Cb 0.00 -3.91 -0.02 0.00 0.01 0.00 0.00 42.46 38.54 3kpi s ILE 71 CO 0.00 0.43 0.73 -1.00 0.00 0.00 0.00 174.94 175.10 3kpi s HIS 72 N -0.24 3.41 -0.13 3.97 3.76 -0.12 -3.72 115.29 122.21 3kpi s HIS 72 Ca 0.30 1.10 -0.03 0.00 -0.15 0.00 0.00 55.06 56.28 3kpi s HIS 72 Cb -0.18 -2.90 -0.03 0.00 1.11 0.00 0.00 32.58 30.58 3kpi s HIS 72 CO 0.16 -0.18 -0.02 0.12 -0.85 0.00 0.00 174.74 173.97 3kpi s PHE 73 N 1.93 3.08 -0.24 1.40 5.36 -1.26 -0.15 117.98 128.10 3kpi s PHE 73 Ca 0.34 -0.10 0.02 0.00 -0.96 0.00 0.00 56.93 56.23 3kpi s PHE 73 Cb -0.16 -1.90 0.06 0.00 -0.34 0.00 0.00 43.02 40.67 3kpi s PHE 73 CO 0.12 0.15 -0.07 0.42 -1.46 0.00 0.00 175.22 174.38 3kpi s ILE 74 N -0.08 1.75 -1.28 3.12 1.01 0.63 -4.97 121.20 121.40 3kpi s ILE 74 Ca 0.03 -1.36 -0.15 0.00 0.00 0.00 0.00 60.65 59.17 3kpi s ILE 74 Cb -0.13 -1.96 0.12 0.00 0.01 0.00 0.00 42.46 40.50 3kpi s ILE 74 CO 0.02 -0.07 1.68 0.00 0.00 0.00 0.00 174.94 176.57 3kpi n ALA 75 N 4.59 4.12 -3.36 9.38 0.00 -1.26 -1.39 120.51 132.59 3kpi n ALA 75 Ca -0.13 -4.08 -0.14 0.00 0.00 0.00 0.00 53.44 49.09 3kpi n ALA 75 Cb 0.43 -3.28 -0.08 0.00 0.00 0.00 0.00 19.45 16.52 3kpi n ALA 75 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3kpi s GLN 76 N 2.48 0.71 0.15 0.00 2.00 0.13 -4.86 119.66 120.26 3kpi s GLN 76 Ca 0.47 0.27 -0.26 0.00 -2.00 0.00 0.00 55.36 53.83 3kpi s GLN 76 Cb 0.03 0.33 -0.07 0.00 0.80 0.00 0.00 33.01 34.09 3kpi s GLN 76 CO 0.02 -0.17 0.81 0.45 -0.50 0.00 0.00 175.29 175.90 3kpi s SER 77 N -0.63 7.39 -0.05 6.67 0.15 -1.26 -3.54 113.70 122.43 3kpi s SER 77 Ca -0.07 1.65 -0.30 0.00 0.70 0.00 0.00 55.95 57.93 3kpi s SER 77 Cb -0.03 -2.51 -0.03 0.00 -1.71 0.00 0.00 66.02 61.73 3kpi s SER 77 CO 0.04 0.14 1.14 0.00 1.20 0.00 0.00 173.24 175.77 3kpi s ALA 78 N -0.84 3.44 -0.11 5.45 0.00 -1.26 -1.03 121.76 127.41 3kpi s ALA 78 Ca 0.38 0.58 0.15 0.00 0.00 0.00 0.00 51.96 53.08 3kpi s ALA 78 Cb -0.23 -3.48 -0.23 0.00 0.00 0.00 0.00 23.12 19.18 3kpi s ALA 78 CO 0.27 -0.66 0.48 0.39 0.00 0.00 0.00 175.76 176.23 3kpi n GLU 79 N 4.94 0.65 -3.77 0.00 -0.58 0.11 -4.67 120.64 117.33 3kpi n GLU 79 Ca 0.10 0.16 -0.13 0.00 -0.42 0.00 0.00 57.16 56.87 3kpi n GLU 79 Cb 0.47 -1.69 -0.09 0.00 -0.57 0.00 0.00 31.44 29.55 3kpi n GLU 79 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 3kpi s GLN 80 N -2.64 0.56 -0.16 3.49 0.74 -0.97 -4.58 119.66 116.10 3kpi s GLN 80 Ca -0.06 0.03 0.00 0.00 0.05 0.00 0.00 55.36 55.39 3kpi s GLN 80 Cb 0.08 0.25 0.03 0.00 1.10 0.00 0.00 33.01 34.47 3kpi s GLN 80 CO 0.83 -0.13 -0.13 0.42 -0.55 0.00 0.00 175.29 175.73 3kpi s ILE 81 N -0.78 1.58 -0.53 -2.34 1.01 -1.26 -1.11 121.20 117.77 3kpi s ILE 81 Ca -0.09 -0.73 -0.12 0.00 0.00 0.00 0.00 60.65 59.72 3kpi s ILE 81 Cb -0.04 -1.53 0.13 0.00 0.01 0.00 0.00 42.46 41.03 3kpi s ILE 81 CO 0.03 0.38 0.44 -0.62 0.00 0.00 0.00 174.94 175.16 3kpi s ASP 82 N 1.47 5.95 0.40 3.58 -1.08 -0.31 -4.75 116.67 121.93 3kpi s ASP 82 Ca 0.03 -1.96 0.21 0.00 -0.52 0.00 0.00 52.55 50.31 3kpi s ASP 82 Cb -0.14 -2.09 0.71 0.00 -1.46 0.00 0.00 42.92 39.94 3kpi s ASP 82 CO -0.10 -0.73 1.74 0.00 0.52 0.00 0.00 175.17 176.60 3kpi h ALA 83 N 8.51 0.96 0.02 3.66 0.00 -1.96 0.19 119.26 130.64 3kpi h ALA 83 Ca -0.21 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 3kpi h ALA 83 Cb 1.08 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3kpi h ALA 83 CO 0.91 0.38 -0.01 1.49 0.00 0.00 0.00 179.25 182.02 3kpi h GLU 84 N 0.00 -0.02 0.00 0.00 4.22 -1.95 -3.15 114.58 113.68 3kpi h GLU 84 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 3kpi h GLU 84 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 3kpi h GLU 84 CO 0.04 0.74 0.00 0.00 -2.18 0.00 0.00 179.01 177.61 3kpi n ALA 85 N -2.55 2.06 -3.75 2.92 0.00 -1.20 -4.90 120.51 113.10 3kpi n ALA 85 Ca -0.09 -0.08 -0.28 0.00 0.00 0.00 0.00 53.44 52.99 3kpi n ALA 85 Cb 0.38 -1.37 0.04 0.00 0.00 0.00 0.00 19.45 18.50 3kpi n ALA 85 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3kpi n GLN 86 N -1.46 -6.31 -4.37 0.00 6.02 0.65 -4.88 117.38 107.02 3kpi n GLN 86 Ca 0.06 0.69 -0.22 0.00 -0.01 0.00 0.00 57.00 57.52 3kpi n GLN 86 Cb 0.25 -5.64 -0.11 0.00 1.02 0.00 0.00 30.24 25.76 3kpi n GLN 86 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3kpi s ASN 87 N -3.26 2.93 -0.17 1.08 2.20 -0.98 -1.27 114.94 115.48 3kpi s ASN 87 Ca 0.62 -0.92 -0.00 0.00 -0.94 0.00 0.00 52.86 51.62 3kpi s ASN 87 Cb -0.30 -0.19 0.00 0.00 -2.00 0.00 0.00 41.25 38.76 3kpi s ASN 87 CO 0.76 -0.02 -0.14 -0.63 -2.94 0.00 0.00 177.10 174.12 3kpi s ILE 88 N -2.24 2.67 -0.15 0.54 1.01 0.43 -1.16 121.20 122.30 3kpi s ILE 88 Ca 0.20 -0.76 -0.19 0.00 0.00 0.00 0.00 60.65 59.91 3kpi s ILE 88 Cb -0.05 -2.14 -0.04 0.00 0.01 0.00 0.00 42.46 40.24 3kpi s ILE 88 CO 0.09 0.51 0.51 -0.89 0.00 0.00 0.00 174.94 175.15 3kpi s THR 89 N 0.97 5.14 0.37 2.92 2.01 -0.26 -0.98 115.64 125.81 3kpi s THR 89 Ca -0.02 0.99 0.04 0.00 0.31 0.00 0.00 61.69 63.01 3kpi s THR 89 Cb -0.15 -3.85 -0.01 0.00 0.01 0.00 0.00 72.50 68.51 3kpi s THR 89 CO -0.02 0.25 0.54 -0.76 -0.69 0.00 0.00 174.62 173.94 3kpi s LEU 90 N 1.09 3.87 0.33 4.42 1.43 0.19 0.05 118.68 130.06 3kpi s LEU 90 Ca 0.26 0.03 0.06 0.00 -1.03 0.00 0.00 54.13 53.45 3kpi s LEU 90 Cb -0.15 -2.93 0.72 0.00 0.03 0.00 0.00 46.19 43.85 3kpi s LEU 90 CO 0.10 -0.51 1.88 0.00 0.23 0.00 0.00 176.35 178.05 3kpi h ALA 91 N 0.71 1.71 -0.18 4.21 0.00 -1.39 0.39 119.26 124.71 3kpi h ALA 91 Ca -0.46 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3kpi h ALA 91 Cb 1.25 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3kpi h ALA 91 CO 0.55 0.08 0.00 -0.40 0.00 0.00 0.00 179.25 179.48 3kpi n ASP 92 N -4.55 0.99 0.00 0.00 5.75 -1.26 -4.89 116.55 112.59 3kpi n ASP 92 Ca 0.16 -2.01 0.00 0.00 -0.01 0.00 0.00 54.79 52.94 3kpi n ASP 92 Cb 0.38 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.34 3kpi n ASP 92 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kpi n GLY 93 N 0.77 1.68 3.74 6.12 0.00 0.14 -5.03 105.19 112.60 3kpi n GLY 93 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 3kpi n GLY 93 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kpi s ASN 94 N -3.26 4.11 0.10 1.61 -0.87 -1.26 -4.79 114.94 110.58 3kpi s ASN 94 Ca 0.00 2.02 0.06 0.00 -1.57 0.00 0.00 52.86 53.37 3kpi s ASN 94 Cb 0.00 -2.55 -0.03 0.00 -0.02 0.00 0.00 41.25 38.65 3kpi s ASN 94 CO 0.00 -2.31 -0.16 0.42 -2.57 0.00 0.00 177.10 172.48 3kpi s THR 95 N -2.63 1.40 -0.09 1.60 -4.23 -1.26 -0.64 115.64 109.78 3kpi s THR 95 Ca 0.65 -1.56 0.03 0.00 -1.18 0.00 0.00 61.69 59.64 3kpi s THR 95 Cb -0.21 -1.42 0.00 0.00 1.34 0.00 0.00 72.50 72.22 3kpi s THR 95 CO 0.53 -0.26 -0.21 -0.69 -0.54 0.00 0.00 174.62 173.46 3kpi s VAL 96 N -1.61 1.81 0.09 2.29 1.01 -0.15 -4.93 120.40 118.91 3kpi s VAL 96 Ca 0.05 -0.87 -0.10 0.00 0.00 0.00 0.00 61.98 61.05 3kpi s VAL 96 Cb -0.08 -1.58 -0.06 0.00 0.00 0.00 0.00 36.38 34.66 3kpi s VAL 96 CO 0.03 0.51 0.42 -2.28 0.00 0.00 0.00 175.10 173.78 3kpi s HIS 97 N 0.44 3.58 0.08 5.22 2.46 -1.26 -0.43 115.29 125.39 3kpi s HIS 97 Ca -0.17 0.82 0.02 0.00 0.47 0.00 0.00 55.06 56.20 3kpi s HIS 97 Cb -0.17 -2.18 -0.04 0.00 -0.13 0.00 0.00 32.58 30.06 3kpi s HIS 97 CO 0.07 0.50 -0.08 1.52 -2.47 0.00 0.00 174.74 174.29 3kpi s TYR 98 N -1.41 0.89 -0.22 3.88 -0.85 -0.39 -4.92 117.35 114.32 3kpi s TYR 98 Ca 0.34 -0.73 0.06 0.00 -0.52 0.00 0.00 57.07 56.22 3kpi s TYR 98 Cb -0.14 -0.51 -0.20 0.00 0.38 0.00 0.00 41.96 41.49 3kpi s TYR 98 CO 0.18 -0.09 -0.06 -0.25 -1.52 0.00 0.00 175.55 173.82 3kpi n ASP 99 N 0.53 1.41 -4.04 -0.18 8.00 -0.10 -4.85 116.55 117.32 3kpi n ASP 99 Ca -0.16 -0.05 -0.20 0.00 0.71 0.00 0.00 54.79 55.09 3kpi n ASP 99 Cb 0.58 -0.05 -0.15 0.00 -0.02 0.00 0.00 41.12 41.48 3kpi n ASP 99 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3kpi s TYR 100 N -2.52 0.98 -0.11 1.24 2.02 -1.00 -4.84 117.35 113.11 3kpi s TYR 100 Ca -0.26 -0.21 0.03 0.00 -0.37 0.00 0.00 57.07 56.26 3kpi s TYR 100 Cb 0.08 -0.65 -0.00 0.00 -0.40 0.00 0.00 41.96 40.98 3kpi s TYR 100 CO 0.69 -0.05 -0.20 -1.17 -1.57 0.00 0.00 175.55 173.25 3kpi s LEU 101 N -0.10 2.30 -0.29 -1.29 2.96 -0.54 -0.95 118.68 120.77 3kpi s LEU 101 Ca 0.02 -0.49 -0.04 0.00 -0.22 0.00 0.00 54.13 53.40 3kpi s LEU 101 Cb -0.06 -1.48 0.03 0.00 0.50 0.00 0.00 46.19 45.18 3kpi s LEU 101 CO -0.00 0.16 0.02 -0.32 -1.32 0.00 0.00 176.35 174.89 3kpi s MET 102 N 0.38 2.77 -0.26 1.98 -2.45 1.00 0.23 119.30 122.95 3kpi s MET 102 Ca -0.16 -1.05 -0.23 0.00 -1.25 0.00 0.00 55.69 53.00 3kpi s MET 102 Cb -0.17 -3.22 -0.01 0.00 1.25 0.00 0.00 34.83 32.68 3kpi s MET 102 CO 0.07 -0.51 0.77 0.42 1.05 0.00 0.00 175.02 176.83 3kpi s ILE 103 N 1.37 4.86 -0.34 10.11 1.01 0.17 -1.30 121.20 137.08 3kpi s ILE 103 Ca -0.01 1.36 0.15 0.00 0.00 0.00 0.00 60.65 62.16 3kpi s ILE 103 Cb -0.18 -4.08 0.46 0.00 0.01 0.00 0.00 42.46 38.66 3kpi s ILE 103 CO -0.00 -0.10 1.00 0.00 0.00 0.00 0.00 174.94 175.84 3kpi n ALA 104 N 6.00 3.73 1.76 9.38 0.00 0.39 -0.64 120.51 141.13 3kpi n ALA 104 Ca 0.04 -3.36 0.15 0.00 0.00 0.00 0.00 53.44 50.26 3kpi n ALA 104 Cb 0.48 -0.84 0.74 0.00 0.00 0.00 0.00 19.45 19.83 3kpi n ALA 104 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3kpi n THR 105 N -0.21 0.00 -3.58 0.00 -2.24 -1.16 -4.33 114.28 102.77 3kpi n THR 105 Ca 0.16 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 3kpi n THR 105 Cb 0.79 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 3kpi n THR 105 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kpi n GLY 106 N 1.08 1.06 3.86 3.38 0.00 -1.26 -4.80 105.19 108.51 3kpi n GLY 106 Ca 0.21 -0.58 -0.37 0.00 0.00 0.00 0.00 46.02 45.28 3kpi n GLY 106 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kpi s PRO 107 N 0.00 3.72 -0.05 1.61 0.04 -1.26 -4.17 135.00 134.88 3kpi s PRO 107 Ca 0.00 0.16 -0.29 0.00 0.04 0.00 0.00 61.00 60.91 3kpi s PRO 107 Cb 0.00 -3.16 -0.02 0.00 0.04 0.00 0.00 34.50 31.36 3kpi s PRO 107 CO 0.00 0.69 0.98 0.21 0.04 0.00 0.00 177.00 178.92 3kpi s LYS 108 N -1.28 4.49 -0.55 4.56 2.20 0.31 -4.82 119.74 124.64 3kpi s LYS 108 Ca 0.23 1.38 -0.28 0.00 -0.36 0.00 0.00 55.97 56.94 3kpi s LYS 108 Cb -0.15 -3.50 0.03 0.00 -1.51 0.00 0.00 37.83 32.71 3kpi s LYS 108 CO 0.12 -0.17 1.16 -0.51 -0.36 0.00 0.00 175.35 175.59 3kpi s LEU 109 N 1.48 3.54 -1.43 5.43 1.43 -1.26 -0.33 118.68 127.53 3kpi s LEU 109 Ca 0.49 0.16 -0.07 0.00 -1.03 0.00 0.00 54.13 53.68 3kpi s LEU 109 Cb -0.20 -3.23 0.04 0.00 0.03 0.00 0.00 46.19 42.83 3kpi s LEU 109 CO 0.23 -1.41 2.62 0.00 0.23 0.00 0.00 176.35 178.01 3kpi n ALA 110 N 8.24 7.11 0.14 4.21 0.00 -0.32 -4.66 120.51 135.23 3kpi n ALA 110 Ca 0.09 -3.86 0.16 0.00 0.00 0.00 0.00 53.44 49.83 3kpi n ALA 110 Cb 0.49 -3.00 0.74 0.00 0.00 0.00 0.00 19.45 17.67 3kpi n ALA 110 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3kpi h PHE 111 N 4.74 0.00 0.00 0.00 0.04 -1.92 -2.22 116.94 117.58 3kpi h PHE 111 Ca 0.77 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.54 3kpi h PHE 111 Cb 0.30 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.45 3kpi h PHE 111 CO 1.72 0.00 0.00 1.05 -0.60 0.00 0.00 178.31 180.48 3kpi h GLU 112 N 0.00 0.00 -0.08 1.51 9.09 -1.98 0.12 114.58 123.24 3kpi h GLU 112 Ca 0.13 0.00 0.02 0.00 0.05 0.00 0.00 59.36 59.56 3kpi h GLU 112 Cb 0.59 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.69 3kpi h GLU 112 CO -0.00 0.00 0.08 -0.91 0.05 0.00 0.00 179.01 178.23 3kpi h ASN 113 N 0.00 0.00 -3.41 3.06 4.21 -1.80 -3.35 115.58 114.29 3kpi h ASN 113 Ca 0.00 0.00 -0.61 0.00 1.21 0.00 0.00 56.30 56.90 3kpi h ASN 113 Cb 0.38 0.00 -0.40 0.00 -1.12 0.00 0.00 38.32 37.18 3kpi h ASN 113 CO 0.00 0.00 -0.74 -0.69 -1.29 0.00 0.00 177.43 174.71 3kpi s VAL 114 N -4.67 1.27 0.11 2.81 1.01 0.03 -4.98 120.40 115.98 3kpi s VAL 114 Ca -0.05 -2.30 -0.36 0.00 0.00 0.00 0.00 61.98 59.27 3kpi s VAL 114 Cb 0.15 -1.91 -0.16 0.00 0.00 0.00 0.00 36.38 34.47 3kpi s VAL 114 CO 0.56 -0.85 1.32 -2.65 0.00 0.00 0.00 175.10 173.47 3kpi n PRO 115 N 3.82 1.22 -0.10 2.72 -0.02 -1.26 -0.47 135.00 140.91 3kpi n PRO 115 Ca 0.07 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 3kpi n PRO 115 Cb 0.36 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 3kpi n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kpi n GLY 116 N 2.45 1.61 0.04 -1.23 0.00 -1.26 -0.85 105.19 105.96 3kpi n GLY 116 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 3kpi n GLY 116 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kpi n SER 117 N 0.00 0.54 -4.77 1.61 3.41 0.38 -3.95 113.62 110.84 3kpi n SER 117 Ca 0.00 0.19 -0.41 0.00 -0.26 0.00 0.00 58.87 58.39 3kpi n SER 117 Cb 0.00 -0.13 -0.00 0.00 -0.26 0.00 0.00 64.21 63.81 3kpi n SER 117 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3kpi s ASP 118 N -3.74 6.33 0.58 4.04 -1.08 -1.26 -4.75 116.67 116.79 3kpi s ASP 118 Ca 0.10 3.04 0.28 0.00 -0.52 0.00 0.00 52.55 55.45 3kpi s ASP 118 Cb 0.15 -2.66 1.53 0.00 -1.46 0.00 0.00 42.92 40.48 3kpi s ASP 118 CO 0.65 -0.91 1.99 -0.65 0.52 0.00 0.00 175.17 176.78 3kpi h PRO 119 N 3.57 0.00 0.00 4.34 0.11 -1.88 0.02 132.00 138.16 3kpi h PRO 119 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3kpi h PRO 119 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3kpi h PRO 119 CO 0.69 0.00 -0.57 0.72 -0.21 0.00 0.00 178.00 178.63 3kpi n HIS 120 N -3.87 0.37 0.12 0.65 8.25 -1.26 -4.13 115.22 115.35 3kpi n HIS 120 Ca 0.06 0.11 0.06 0.00 -0.26 0.00 0.00 57.72 57.69 3kpi n HIS 120 Cb 0.53 -0.53 0.12 0.00 1.12 0.00 0.00 29.99 31.23 3kpi n HIS 120 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 3kpi n GLU 121 N -1.91 1.91 -1.54 -0.41 0.28 -0.02 -5.05 120.64 113.91 3kpi n GLU 121 Ca 0.04 -1.72 -0.00 0.00 -0.16 0.00 0.00 57.16 55.31 3kpi n GLU 121 Cb 0.41 -1.27 0.00 0.00 1.43 0.00 0.00 31.44 32.00 3kpi n GLU 121 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3kpi n GLY 122 N 0.66 1.29 0.35 -1.84 0.00 -1.16 -4.91 105.19 99.57 3kpi n GLY 122 Ca 0.10 -0.93 0.13 0.00 0.00 0.00 0.00 46.02 45.32 3kpi n GLY 122 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kpi n PRO 123 N -0.04 1.11 -2.83 1.61 -0.04 -1.26 -4.77 135.00 128.78 3kpi n PRO 123 Ca -0.00 -0.70 -0.43 0.00 -0.04 0.00 0.00 63.50 62.33 3kpi n PRO 123 Cb 0.03 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 31.96 3kpi n PRO 123 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3kpi s VAL 124 N -2.37 4.57 0.00 0.52 1.01 -1.26 -2.16 120.40 120.71 3kpi s VAL 124 Ca 0.27 1.01 0.00 0.00 0.00 0.00 0.00 61.98 63.26 3kpi s VAL 124 Cb 0.20 -4.34 0.00 0.00 0.00 0.00 0.00 36.38 32.23 3kpi s VAL 124 CO 0.48 -0.61 0.00 0.00 0.00 0.00 0.00 175.10 174.97 3kpi n GLN 125 N 6.84 0.88 -3.59 2.72 1.13 0.13 -3.90 117.38 121.59 3kpi n GLN 125 Ca 0.06 0.00 -0.15 0.00 -1.94 0.00 0.00 57.00 54.97 3kpi n GLN 125 Cb 0.48 0.00 -0.06 0.00 0.11 0.00 0.00 30.24 30.77 3kpi n GLN 125 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3kpi s SER 126 N -1.00 -0.47 -0.11 1.08 0.15 -1.26 -2.54 113.70 109.55 3kpi s SER 126 Ca 0.00 0.33 0.14 0.00 0.70 0.00 0.00 55.95 57.12 3kpi s SER 126 Cb 0.00 0.48 0.28 0.00 -1.71 0.00 0.00 66.02 65.06 3kpi s SER 126 CO 0.00 -0.64 1.14 2.30 1.20 0.00 0.00 173.24 177.24 3kpi n ILE 127 N 0.71 1.42 0.08 6.45 -5.35 -1.26 -3.04 119.36 118.37 3kpi n ILE 127 Ca -0.19 -1.94 -0.09 0.00 -0.27 0.00 0.00 62.75 60.26 3kpi n ILE 127 Cb 0.59 0.02 -0.01 0.00 -1.74 0.00 0.00 39.64 38.50 3kpi n ILE 127 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kpi s THR 129 N -3.21 3.28 0.30 0.00 -4.23 -1.26 -4.92 115.64 105.60 3kpi s THR 129 Ca -0.03 -1.81 0.03 0.00 -1.18 0.00 0.00 61.69 58.70 3kpi s THR 129 Cb 0.10 -2.69 0.12 0.00 1.34 0.00 0.00 72.50 71.38 3kpi s THR 129 CO 0.83 -0.24 1.80 1.62 -0.54 0.00 0.00 174.62 178.09 3kpi h VAL 130 N 2.34 1.23 -0.20 2.29 3.04 -1.95 0.40 116.25 123.40 3kpi h VAL 130 Ca -0.45 -0.98 0.01 0.00 -1.01 0.00 0.00 66.70 64.27 3kpi h VAL 130 Cb 1.23 1.06 -0.02 0.00 -2.01 0.00 0.00 31.29 31.55 3kpi h VAL 130 CO 0.57 0.33 0.10 0.44 -1.01 0.00 0.00 177.57 178.00 3kpi h ASP 131 N 0.52 0.14 -0.16 3.17 3.32 -1.97 -1.47 116.42 119.97 3kpi h ASP 131 Ca 0.10 0.01 -0.13 0.00 0.02 0.00 0.00 57.03 57.03 3kpi h ASP 131 Cb 0.46 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 3kpi h ASP 131 CO 0.02 0.11 -0.35 0.45 -1.72 0.00 0.00 179.24 177.76 3kpi h HIS 132 N 0.21 0.79 -0.34 4.55 3.86 -1.73 -2.47 115.15 120.02 3kpi h HIS 132 Ca 0.08 -0.22 -0.08 0.00 -1.16 0.00 0.00 60.37 59.00 3kpi h HIS 132 Cb 0.02 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.30 3kpi h HIS 132 CO -0.09 0.93 -0.12 0.00 0.86 0.00 0.00 177.93 179.51 3kpi h ALA 133 N 1.05 1.17 -0.45 2.45 0.00 -0.82 0.41 119.26 123.06 3kpi h ALA 133 Ca 0.06 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 3kpi h ALA 133 Cb 0.87 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3kpi h ALA 133 CO 0.08 0.53 -0.05 0.93 0.00 0.00 0.00 179.25 180.73 3kpi h GLU 134 N 0.53 0.78 -0.43 0.00 5.08 -1.11 0.32 114.58 119.75 3kpi h GLU 134 Ca 0.10 -0.23 -0.13 0.00 -1.00 0.00 0.00 59.36 58.10 3kpi h GLU 134 Cb 0.52 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 3kpi h GLU 134 CO 0.03 0.82 -0.25 -0.09 -1.00 0.00 0.00 179.01 178.52 3kpi h ARG 135 N 0.72 0.90 -0.55 2.33 2.43 -0.85 -1.58 114.38 117.78 3kpi h ARG 135 Ca 0.13 -0.39 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 3kpi h ARG 135 Cb 0.51 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.01 3kpi h ARG 135 CO 0.03 1.04 0.35 0.00 -1.51 0.00 0.00 179.97 179.88 3kpi h ALA 136 N 0.94 0.69 -0.85 2.80 0.00 0.27 -1.47 119.26 121.64 3kpi h ALA 136 Ca 0.10 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3kpi h ALA 136 Cb 0.80 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 3kpi h ALA 136 CO 0.07 0.15 0.50 0.35 0.00 0.00 0.00 179.25 180.32 3kpi h PHE 137 N 0.74 1.14 -0.56 0.00 3.57 -0.76 0.13 116.94 121.19 3kpi h PHE 137 Ca 0.20 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.71 3kpi h PHE 137 Cb -0.05 -0.37 -0.03 0.00 2.79 0.00 0.00 35.95 38.28 3kpi h PHE 137 CO -0.03 0.77 0.35 0.00 -2.23 0.00 0.00 178.31 177.17 3kpi h ALA 138 N 1.27 0.72 -0.19 2.41 0.00 -0.83 0.14 119.26 122.79 3kpi h ALA 138 Ca 0.30 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.09 3kpi h ALA 138 Cb -0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3kpi h ALA 138 CO -0.05 0.09 -0.35 1.49 0.00 0.00 0.00 179.25 180.43 3kpi h GLU 139 N 0.70 0.39 -0.73 0.00 4.81 -0.76 -1.68 114.58 117.30 3kpi h GLU 139 Ca 0.22 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 3kpi h GLU 139 Cb -0.01 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 3kpi h GLU 139 CO -0.08 0.69 0.39 -0.92 -0.73 0.00 0.00 179.01 178.36 3kpi h TYR 140 N 0.34 1.01 -0.13 0.92 3.20 -0.04 0.00 116.97 122.27 3kpi h TYR 140 Ca 0.04 -0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.78 3kpi h TYR 140 Cb 0.77 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 3kpi h TYR 140 CO 0.02 0.71 -0.36 1.96 -1.64 0.00 0.00 178.16 178.85 3kpi h GLN 141 N 1.03 0.28 -0.40 1.82 4.20 -0.33 -1.62 115.11 120.07 3kpi h GLN 141 Ca 0.26 -0.12 -0.13 0.00 0.06 0.00 0.00 58.65 58.72 3kpi h GLN 141 Cb 0.05 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 3kpi h GLN 141 CO -0.04 0.61 -0.26 0.00 -0.67 0.00 0.00 178.83 178.47 3kpi h ALA 142 N 1.39 0.78 -0.61 3.87 0.00 -0.53 -2.53 119.26 121.62 3kpi h ALA 142 Ca 0.03 -0.40 0.06 0.00 0.00 0.00 0.00 54.91 54.60 3kpi h ALA 142 Cb 0.75 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 3kpi h ALA 142 CO 0.06 0.65 0.32 1.25 0.00 0.00 0.00 179.25 181.53 3kpi h LEU 143 N 0.73 0.47 -1.58 0.00 5.85 -0.56 -1.70 115.31 118.51 3kpi h LEU 143 Ca 0.09 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 3kpi h LEU 143 Cb 0.80 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 3kpi h LEU 143 CO 0.07 0.31 0.18 -0.07 -0.34 0.00 0.00 178.44 178.59 3kpi h LEU 144 N 0.60 0.41 -0.46 2.25 4.07 -0.93 -1.01 115.31 120.24 3kpi h LEU 144 Ca 0.27 -0.02 -0.16 0.00 0.08 0.00 0.00 57.88 58.05 3kpi h LEU 144 Cb 0.18 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 41.80 3kpi h LEU 144 CO -0.18 0.33 -0.77 0.03 -1.08 0.00 0.00 178.44 176.77 3kpi h ARG 145 N 0.47 0.02 -2.07 1.13 3.08 -1.00 -3.40 114.38 112.61 3kpi h ARG 145 Ca 0.12 -0.02 -0.53 0.00 0.07 0.00 0.00 59.98 59.63 3kpi h ARG 145 Cb 0.02 0.00 -0.35 0.00 0.08 0.00 0.00 29.97 29.72 3kpi h ARG 145 CO -0.02 0.78 -0.94 0.39 -1.07 0.00 0.00 179.97 179.11 3kpi n GLU 146 N -3.64 0.35 -1.54 0.04 1.02 -0.70 -5.12 120.64 111.05 3kpi n GLU 146 Ca -0.01 -3.02 -0.41 0.00 -0.02 0.00 0.00 57.16 53.70 3kpi n GLU 146 Cb 0.74 -1.55 0.01 0.00 -0.02 0.00 0.00 31.44 30.63 3kpi n GLU 146 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 3kpi n PRO 147 N 2.51 0.97 -3.47 3.49 -0.02 -0.46 -4.67 135.00 133.35 3kpi n PRO 147 Ca 0.26 0.35 -0.06 0.00 -2.02 0.00 0.00 63.50 62.04 3kpi n PRO 147 Cb 0.50 -1.80 0.02 0.00 -0.02 0.00 0.00 33.50 32.21 3kpi n PRO 147 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kpi n GLY 148 N 1.46 0.94 3.77 -1.23 0.00 -1.26 -4.93 105.19 103.93 3kpi n GLY 148 Ca 0.11 -1.18 -0.38 0.00 0.00 0.00 0.00 46.02 44.56 3kpi n GLY 148 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3kpi s PRO 149 N -2.06 3.85 -0.09 1.61 0.02 -1.26 -4.28 135.00 132.79 3kpi s PRO 149 Ca 0.16 1.97 0.01 0.00 0.02 0.00 0.00 61.00 63.16 3kpi s PRO 149 Cb -0.04 -2.59 -0.03 0.00 0.02 0.00 0.00 34.50 31.87 3kpi s PRO 149 CO 0.08 -0.53 -0.10 0.42 -0.33 0.00 0.00 177.00 176.54 3kpi s ILE 150 N -1.39 3.44 -0.09 2.83 1.01 -0.24 -1.02 121.20 125.75 3kpi s ILE 150 Ca 0.60 -0.56 -0.00 0.00 0.00 0.00 0.00 60.65 60.69 3kpi s ILE 150 Cb -0.34 -2.42 0.02 0.00 0.01 0.00 0.00 42.46 39.74 3kpi s ILE 150 CO 0.42 0.56 -0.06 -0.69 0.00 0.00 0.00 174.94 175.17 3kpi s VAL 151 N -0.35 0.81 0.04 2.92 1.01 -0.79 -1.06 120.40 122.98 3kpi s VAL 151 Ca 0.04 -0.19 0.05 0.00 0.00 0.00 0.00 61.98 61.88 3kpi s VAL 151 Cb -0.12 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.38 3kpi s VAL 151 CO 0.02 0.32 -0.13 -0.63 0.00 0.00 0.00 175.10 174.68 3kpi s ILE 152 N 1.52 1.03 -2.91 2.22 1.01 -0.37 -1.73 121.20 121.97 3kpi s ILE 152 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 60.65 59.63 3kpi s ILE 152 Cb -0.13 -0.95 0.00 0.00 0.01 0.00 0.00 42.46 41.38 3kpi s ILE 152 CO -0.05 -0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.44 3kpi n GLY 153 N 1.81 -0.60 2.82 6.18 0.00 -0.42 -1.32 105.19 113.67 3kpi n GLY 153 Ca -0.19 -0.64 -0.14 0.00 0.00 0.00 0.00 46.02 45.05 3kpi n GLY 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kpi s ALA 154 N -1.00 -0.03 0.94 4.61 0.00 -0.14 -1.07 121.76 125.06 3kpi s ALA 154 Ca 0.00 0.42 -0.11 0.00 0.00 0.00 0.00 51.96 52.27 3kpi s ALA 154 Cb 0.00 -0.31 0.16 0.00 0.00 0.00 0.00 23.12 22.97 3kpi s ALA 154 CO 0.00 -0.12 1.10 -1.64 0.00 0.00 0.00 175.76 175.10 3kpi s MET 155 N 1.07 0.88 0.42 0.00 -1.94 -0.09 -2.92 119.30 116.72 3kpi s MET 155 Ca -0.09 1.19 -0.26 0.00 -1.71 0.00 0.00 55.69 54.83 3kpi s MET 155 Cb -0.12 -1.74 -0.10 0.00 2.01 0.00 0.00 34.83 34.89 3kpi s MET 155 CO -0.04 -2.61 1.29 0.00 -0.01 0.00 0.00 175.02 173.64 3kpi n ALA 156 N -4.19 1.36 -0.31 3.03 0.00 -1.26 -2.22 120.51 116.92 3kpi n ALA 156 Ca 0.09 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.79 3kpi n ALA 156 Cb 0.53 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.71 3kpi n ALA 156 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kpi n GLY 157 N 0.79 2.15 3.71 0.00 0.00 0.21 -4.30 105.19 107.75 3kpi n GLY 157 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 3kpi n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kpi s ALA 158 N -3.22 1.92 0.00 4.61 0.00 -0.94 -4.11 121.76 120.02 3kpi s ALA 158 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.66 3kpi s ALA 158 Cb 0.00 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.68 3kpi s ALA 158 CO 0.00 -2.15 0.00 -1.13 0.00 0.00 0.00 175.76 172.48 3kpi n SER 159 N -3.32 0.14 -4.03 0.00 3.41 -1.26 0.65 113.62 109.20 3kpi n SER 159 Ca 0.12 -0.18 -0.33 0.00 -0.26 0.00 0.00 58.87 58.22 3kpi n SER 159 Cb 0.51 0.40 -0.09 0.00 -0.26 0.00 0.00 64.21 64.76 3kpi n SER 159 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kpi h PHE 161 N 6.09 0.45 -0.83 0.00 0.04 -1.92 -3.38 116.94 117.39 3kpi h PHE 161 Ca 0.10 -0.33 0.16 0.00 2.80 0.00 0.00 57.97 60.70 3kpi h PHE 161 Cb 0.83 -0.02 -0.16 0.00 2.20 0.00 0.00 35.95 38.81 3kpi h PHE 161 CO 0.69 1.48 -0.21 0.78 -0.60 0.00 0.00 178.31 180.44 3kpi h GLY 162 N 1.60 0.57 2.00 -1.45 0.00 -1.91 0.14 103.07 104.03 3kpi h GLY 162 Ca -0.31 0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 3kpi h GLY 162 CO 0.14 -0.31 -0.06 -2.55 0.00 0.00 0.00 176.54 173.76 3kpi h PRO 163 N -0.00 0.00 -0.15 4.80 0.11 -1.98 -0.36 132.00 134.42 3kpi h PRO 163 Ca 0.39 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.45 3kpi h PRO 163 Cb 0.60 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.71 3kpi h PRO 163 CO -0.85 0.06 -0.09 0.00 -0.21 0.00 0.00 178.00 176.91 3kpi h ALA 164 N 1.94 0.21 -0.31 -0.75 0.00 -0.92 0.23 119.26 119.66 3kpi h ALA 164 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3kpi h ALA 164 Cb 0.46 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3kpi h ALA 164 CO 0.01 0.03 0.20 1.88 0.00 0.00 0.00 179.25 181.37 3kpi h TYR 165 N -0.02 0.39 -0.31 0.00 0.05 -1.21 -1.48 116.97 114.40 3kpi h TYR 165 Ca 0.03 0.01 0.04 0.00 0.05 0.00 0.00 58.73 58.86 3kpi h TYR 165 Cb 0.58 -0.13 -0.04 0.00 1.01 0.00 0.00 36.73 38.15 3kpi h TYR 165 CO 0.07 0.26 0.07 1.49 -1.05 0.00 0.00 178.16 179.00 3kpi h GLU 166 N 0.41 0.18 -0.74 4.88 4.81 -1.01 -0.80 114.58 122.32 3kpi h GLU 166 Ca 0.11 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.30 3kpi h GLU 166 Cb -0.04 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 3kpi h GLU 166 CO -0.02 0.12 0.32 -0.92 -0.73 0.00 0.00 179.01 177.78 3kpi h TYR 167 N 0.19 1.09 -0.42 0.92 3.20 -0.78 0.26 116.97 121.42 3kpi h TYR 167 Ca 0.14 -0.07 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 3kpi h TYR 167 Cb 0.14 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.06 3kpi h TYR 167 CO -0.17 0.82 0.21 0.00 -1.64 0.00 0.00 178.16 177.39 3kpi h ALA 168 N 1.16 0.54 -0.40 1.82 0.00 -0.78 0.27 119.26 121.87 3kpi h ALA 168 Ca 0.25 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3kpi h ALA 168 Cb 0.17 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3kpi h ALA 168 CO -0.03 0.09 0.15 0.52 0.00 0.00 0.00 179.25 179.99 3kpi h MET 169 N 0.54 0.60 0.00 0.00 2.86 -0.78 -0.90 114.93 117.25 3kpi h MET 169 Ca 0.15 -0.11 -0.13 0.00 -2.06 0.00 0.00 59.70 57.54 3kpi h MET 169 Cb 0.10 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 3kpi h MET 169 CO -0.02 0.58 -0.64 -0.84 1.06 0.00 0.00 176.91 177.05 3kpi h ILE 170 N 0.49 1.27 -0.24 -1.22 3.07 -0.75 -0.14 117.51 119.99 3kpi h ILE 170 Ca 0.13 -2.36 -0.03 0.00 1.55 0.00 0.00 64.86 64.15 3kpi h ILE 170 Cb 0.21 2.34 -0.01 0.00 -0.27 0.00 0.00 36.82 39.09 3kpi h ILE 170 CO -0.01 0.63 0.03 0.58 -1.05 0.00 0.00 178.15 178.33 3kpi h VAL 171 N 0.00 1.24 -0.41 0.16 2.07 -0.80 -0.20 116.25 118.31 3kpi h VAL 171 Ca -0.01 -0.81 0.02 0.00 0.82 0.00 0.00 66.70 66.73 3kpi h VAL 171 Cb 1.29 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 32.33 3kpi h VAL 171 CO 0.08 0.25 0.23 0.00 0.02 0.00 0.00 177.57 178.16 3kpi h ALA 172 N 0.84 0.51 -0.60 1.67 0.00 -0.90 -1.31 119.26 119.47 3kpi h ALA 172 Ca 0.07 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3kpi h ALA 172 Cb 0.35 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3kpi h ALA 172 CO 0.01 -0.11 0.30 1.03 0.00 0.00 0.00 179.25 180.48 3kpi h SER 173 N 0.47 0.78 -0.64 0.00 0.87 -0.89 -2.15 113.55 111.97 3kpi h SER 173 Ca 0.16 -0.12 -0.07 0.00 -1.23 0.00 0.00 61.79 60.53 3kpi h SER 173 Cb 0.02 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 61.76 3kpi h SER 173 CO -0.08 0.68 0.14 -0.78 -0.53 0.00 0.00 176.83 176.25 3kpi h ASP 174 N 0.82 1.01 -0.73 6.23 3.58 -0.72 -1.48 116.42 125.12 3kpi h ASP 174 Ca 0.21 -0.22 0.07 0.00 0.42 0.00 0.00 57.03 57.50 3kpi h ASP 174 Cb 0.10 -0.27 -0.06 0.00 1.72 0.00 0.00 39.33 40.82 3kpi h ASP 174 CO -0.03 0.99 0.42 -0.07 -2.88 0.00 0.00 179.24 177.67 3kpi h LEU 175 N 1.01 0.63 -0.38 2.28 4.07 -0.91 -0.71 115.31 121.28 3kpi h LEU 175 Ca 0.21 0.03 -0.07 0.00 0.08 0.00 0.00 57.88 58.12 3kpi h LEU 175 Cb 0.39 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.02 3kpi h LEU 175 CO 0.01 0.40 -0.05 0.11 -1.08 0.00 0.00 178.44 177.82 3kpi h LYS 176 N 0.76 0.71 -0.35 1.13 1.57 -0.86 0.92 116.57 120.46 3kpi h LYS 176 Ca 0.33 -0.25 0.01 0.00 -1.87 0.00 0.00 60.65 58.87 3kpi h LYS 176 Cb 0.21 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 3kpi h LYS 176 CO -0.19 0.84 0.23 0.87 -0.57 0.00 0.00 179.45 180.63 3kpi h LYS 177 N 0.52 0.42 -0.05 3.15 1.57 -0.72 0.30 116.57 121.76 3kpi h LYS 177 Ca 0.10 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3kpi h LYS 177 Cb 0.55 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.77 3kpi h LYS 177 CO 0.03 0.28 0.00 0.54 -0.57 0.00 0.00 179.45 179.73 3kpi n ARG 178 N -4.49 1.47 -2.87 3.15 1.74 -0.33 -4.92 116.66 110.42 3kpi n ARG 178 Ca 0.03 -0.69 -0.21 0.00 -0.77 0.00 0.00 57.85 56.21 3kpi n ARG 178 Cb 0.10 -1.43 0.02 0.00 -1.02 0.00 0.00 32.46 30.12 3kpi n ARG 178 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kpi n GLY 179 N 1.08 -0.51 0.16 -0.13 0.00 0.10 -4.87 105.19 101.01 3kpi n GLY 179 Ca 0.18 0.08 0.02 0.00 0.00 0.00 0.00 46.02 46.31 3kpi n GLY 179 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3kpi n MET 180 N -3.64 0.42 -0.33 1.61 0.00 0.26 -4.72 117.12 110.72 3kpi n MET 180 Ca -0.14 -0.67 -0.02 0.00 0.00 0.00 0.00 57.70 56.88 3kpi n MET 180 Cb 0.63 -1.03 0.11 0.00 0.00 0.00 0.00 33.22 32.92 3kpi n MET 180 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 175.97 175.88 3kpi h ARG 181 N 0.76 1.14 0.00 2.12 9.65 -1.83 -1.76 114.38 124.46 3kpi h ARG 181 Ca 0.00 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 3kpi h ARG 181 Cb 0.17 -0.26 0.00 0.00 -1.39 0.00 0.00 29.97 28.50 3kpi h ARG 181 CO 0.00 0.75 0.00 -0.40 2.80 0.00 0.00 179.97 183.12 3kpi n ASP 182 N -4.49 0.00 -0.26 -3.80 5.68 -1.26 -2.24 116.55 110.18 3kpi n ASP 182 Ca 0.11 -0.22 0.13 0.00 -0.50 0.00 0.00 54.79 54.32 3kpi n ASP 182 Cb 0.06 -0.22 0.42 0.00 -1.14 0.00 0.00 41.12 40.24 3kpi n ASP 182 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3kpi n LYS 183 N -1.22 0.94 -3.03 0.11 4.01 -0.66 -4.82 118.16 113.49 3kpi n LYS 183 Ca 0.13 -0.53 -0.41 0.00 -0.51 0.00 0.00 58.31 56.99 3kpi n LYS 183 Cb 0.16 -1.49 -0.06 0.00 -0.51 0.00 0.00 35.03 33.14 3kpi n LYS 183 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 3kpi s ILE 184 N -2.43 4.91 0.21 -0.18 -1.09 -0.95 -4.51 121.20 117.17 3kpi s ILE 184 Ca 0.27 1.24 -0.08 0.00 -2.23 0.00 0.00 60.65 59.84 3kpi s ILE 184 Cb 0.20 -4.02 0.15 0.00 -1.58 0.00 0.00 42.46 37.20 3kpi s ILE 184 CO 0.49 -0.05 1.78 1.55 -1.23 0.00 0.00 174.94 177.48 3kpi h PRO 185 N 7.88 1.14 -2.83 2.79 0.14 -1.88 -3.45 132.00 135.80 3kpi h PRO 185 Ca -0.25 -0.20 -0.06 0.00 0.14 0.00 0.00 66.00 65.63 3kpi h PRO 185 Cb 1.11 -0.19 -0.16 0.00 0.14 0.00 0.00 31.00 31.90 3kpi h PRO 185 CO 0.82 0.92 0.01 -1.54 0.14 0.00 0.00 178.00 178.35 3kpi s SER 186 N -6.29 -0.41 -0.20 1.44 1.04 -1.26 -5.03 113.70 102.99 3kpi s SER 186 Ca -0.12 0.13 -0.04 0.00 0.48 0.00 0.00 55.95 56.40 3kpi s SER 186 Cb 0.15 0.48 0.07 0.00 0.10 0.00 0.00 66.02 66.82 3kpi s SER 186 CO 0.83 -0.72 0.09 0.12 0.98 0.00 0.00 173.24 174.54 3kpi s PHE 187 N -2.50 0.39 0.02 5.02 5.99 -1.26 -1.07 117.98 124.57 3kpi s PHE 187 Ca -0.05 -0.54 0.07 0.00 0.00 0.00 0.00 56.93 56.41 3kpi s PHE 187 Cb -0.01 -0.81 -0.03 0.00 0.00 0.00 0.00 43.02 42.17 3kpi s PHE 187 CO -0.02 -0.59 -0.18 0.99 -0.00 0.00 0.00 175.22 175.41 3kpi s THR 188 N 2.07 2.77 -0.17 0.12 2.01 -0.23 -1.14 115.64 121.08 3kpi s THR 188 Ca 0.03 -1.11 0.00 0.00 0.31 0.00 0.00 61.69 60.92 3kpi s THR 188 Cb -0.16 -2.14 0.01 0.00 0.01 0.00 0.00 72.50 70.22 3kpi s THR 188 CO -0.14 0.40 -0.17 0.12 -0.69 0.00 0.00 174.62 174.13 3kpi s PHE 189 N -0.87 2.78 -0.15 4.92 2.19 0.13 -1.24 117.98 125.75 3kpi s PHE 189 Ca 0.14 -1.36 0.02 0.00 0.33 0.00 0.00 56.93 56.06 3kpi s PHE 189 Cb -0.10 -1.92 0.01 0.00 -1.31 0.00 0.00 43.02 39.70 3kpi s PHE 189 CO 0.04 -0.66 -0.21 0.42 1.83 0.00 0.00 175.22 176.63 3kpi s ILE 190 N 1.12 2.09 0.03 3.12 -1.09 -0.43 -0.30 121.20 125.73 3kpi s ILE 190 Ca 0.00 -0.96 -0.00 0.00 -2.23 0.00 0.00 60.65 57.46 3kpi s ILE 190 Cb -0.14 -1.84 -0.02 0.00 -1.58 0.00 0.00 42.46 38.87 3kpi s ILE 190 CO -0.07 0.55 -0.03 0.28 -1.23 0.00 0.00 174.94 174.44 3kpi s THR 191 N 0.87 0.16 -0.88 2.92 -1.32 -0.42 -0.97 115.64 116.01 3kpi s THR 191 Ca -0.05 -1.07 0.27 0.00 -1.21 0.00 0.00 61.69 59.63 3kpi s THR 191 Cb -0.15 -0.48 0.21 0.00 -1.51 0.00 0.00 72.50 70.56 3kpi s THR 191 CO -0.03 -0.57 1.76 -1.54 -2.21 0.00 0.00 174.62 172.02 3kpi n SER 192 N 1.35 0.40 -4.63 8.08 3.41 -1.15 -1.66 113.62 119.43 3kpi n SER 192 Ca -0.22 0.40 -0.41 0.00 -0.26 0.00 0.00 58.87 58.37 3kpi n SER 192 Cb 0.56 -0.44 0.01 0.00 -0.26 0.00 0.00 64.21 64.08 3kpi n SER 192 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3kpi n GLU 193 N -1.81 1.45 0.25 4.33 1.02 -1.26 -4.22 120.64 120.39 3kpi n GLU 193 Ca 0.06 0.52 0.13 0.00 -0.02 0.00 0.00 57.16 57.85 3kpi n GLU 193 Cb 0.38 -2.11 0.63 0.00 -0.02 0.00 0.00 31.44 30.32 3kpi n GLU 193 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3kpi h PRO 194 N 1.62 0.00 -3.43 3.49 0.13 -1.91 0.11 132.00 132.00 3kpi h PRO 194 Ca -0.45 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.63 3kpi h PRO 194 Cb 1.33 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.34 3kpi h PRO 194 CO 0.57 0.13 -0.09 1.52 -0.23 0.00 0.00 178.00 179.91 3kpi s TYR 195 N -3.84 -0.14 0.19 1.56 -0.85 -1.26 -4.50 117.35 108.52 3kpi s TYR 195 Ca -0.01 -0.19 -0.32 0.00 -0.52 0.00 0.00 57.07 56.03 3kpi s TYR 195 Cb 0.11 0.25 -0.12 0.00 0.38 0.00 0.00 41.96 42.57 3kpi s TYR 195 CO 0.59 -0.73 1.72 -0.89 -1.52 0.00 0.00 175.55 174.72 3kpi n ILE 196 N -0.23 0.05 -1.13 -3.49 2.08 -1.26 -2.16 119.36 113.21 3kpi n ILE 196 Ca -0.14 -0.01 -0.03 0.00 0.56 0.00 0.00 62.75 63.12 3kpi n ILE 196 Cb 0.63 -1.93 -0.01 0.00 -0.75 0.00 0.00 39.64 37.58 3kpi n ILE 196 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3kpi n GLY 197 N 3.92 0.62 0.26 7.39 0.00 -1.26 -4.00 105.19 112.11 3kpi n GLY 197 Ca 0.16 -0.92 -0.10 0.00 0.00 0.00 0.00 46.02 45.16 3kpi n GLY 197 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3kpi h HIS 198 N 0.00 0.98 -0.70 1.61 6.17 -1.80 -3.34 115.15 118.08 3kpi h HIS 198 Ca -0.07 -0.19 -0.30 0.00 0.71 0.00 0.00 60.37 60.52 3kpi h HIS 198 Cb 0.24 -0.25 -0.12 0.00 2.52 0.00 0.00 27.41 29.80 3kpi h HIS 198 CO 0.09 0.95 -0.27 1.28 0.71 0.00 0.00 177.93 180.69 3kpi n LEU 199 N -4.28 -0.90 0.00 0.26 4.77 -1.26 -0.96 117.00 114.64 3kpi n LEU 199 Ca 0.00 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 3kpi n LEU 199 Cb 0.36 -2.51 0.00 0.00 -2.33 0.00 0.00 43.42 38.94 3kpi n LEU 199 CO 0.43 -0.94 0.00 0.61 -1.33 0.00 0.00 177.39 176.16 3kpi n GLY 200 N -0.48 1.59 0.72 -0.72 0.00 -1.26 -4.67 105.19 100.37 3kpi n GLY 200 Ca -0.15 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.92 3kpi n GLY 200 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3kpi n ILE 201 N -2.00 0.91 -2.78 -0.61 -5.35 -0.67 -4.16 119.36 104.70 3kpi n ILE 201 Ca 0.00 -1.51 -0.19 0.00 -0.27 0.00 0.00 62.75 60.77 3kpi n ILE 201 Cb 0.00 0.32 0.02 0.00 -1.74 0.00 0.00 39.64 38.24 3kpi n ILE 201 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kpi n GLN 202 N -0.42 -3.62 -0.08 6.28 6.02 -0.99 -4.73 117.38 119.83 3kpi n GLN 202 Ca 0.09 0.82 0.00 0.00 -0.01 0.00 0.00 57.00 57.91 3kpi n GLN 202 Cb 0.81 -5.42 -0.00 0.00 1.02 0.00 0.00 30.24 26.65 3kpi n GLN 202 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kpi n GLY 203 N -1.33 -2.81 2.78 1.08 0.00 -0.13 -4.98 105.19 99.79 3kpi n GLY 203 Ca -0.13 -1.31 -0.18 0.00 0.00 0.00 0.00 46.02 44.40 3kpi n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kpi s VAL 204 N -3.85 0.13 0.00 1.61 0.11 -1.26 -5.03 120.40 112.10 3kpi s VAL 204 Ca 0.00 0.17 0.00 0.00 -2.93 0.00 0.00 61.98 59.22 3kpi s VAL 204 Cb 0.00 -0.27 0.00 0.00 -1.53 0.00 0.00 36.38 34.58 3kpi s VAL 204 CO 0.00 0.16 0.00 0.61 -3.33 0.00 0.00 175.10 172.54 3kpi n GLY 205 N 4.49 2.86 2.27 6.54 0.00 -1.23 -1.18 105.19 118.94 3kpi n GLY 205 Ca -0.20 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 3kpi n GLY 205 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kpi n ASP 206 N 2.17 7.15 -0.33 1.61 2.03 -1.26 -4.63 116.55 123.29 3kpi n ASP 206 Ca 0.00 -3.69 0.07 0.00 0.52 0.00 0.00 54.79 51.70 3kpi n ASP 206 Cb 0.00 -0.97 0.23 0.00 -0.72 0.00 0.00 41.12 39.66 3kpi n ASP 206 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 3kpi h SER 207 N 1.83 0.73 0.22 1.67 4.64 -1.44 -0.74 113.55 120.45 3kpi h SER 207 Ca 0.58 0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.96 3kpi h SER 207 Cb 1.04 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 3kpi h SER 207 CO 1.45 0.35 -0.11 0.50 -0.87 0.00 0.00 176.83 178.16 3kpi h LYS 208 N 0.80 -0.29 -0.55 4.77 3.64 -1.74 -1.36 116.57 121.84 3kpi h LYS 208 Ca 0.48 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.84 3kpi h LYS 208 Cb 0.58 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 3kpi h LYS 208 CO -0.31 -0.14 0.21 0.78 -2.27 0.00 0.00 179.45 177.72 3kpi h GLY 209 N -0.36 0.89 0.87 5.01 0.00 -1.76 -1.10 103.07 106.62 3kpi h GLY 209 Ca -0.03 -0.49 -0.12 0.00 0.00 0.00 0.00 47.33 46.68 3kpi h GLY 209 CO 0.05 0.46 -0.38 -2.22 0.00 0.00 0.00 176.54 174.45 3kpi h ILE 210 N 0.75 1.35 -0.30 2.60 2.04 -1.11 -1.53 117.51 121.31 3kpi h ILE 210 Ca 0.18 -1.65 -0.17 0.00 1.00 0.00 0.00 64.86 64.23 3kpi h ILE 210 Cb 0.22 1.99 -0.00 0.00 -0.74 0.00 0.00 36.82 38.28 3kpi h ILE 210 CO -0.01 0.50 -0.47 -0.07 0.00 0.00 0.00 178.15 178.10 3kpi h LEU 211 N 0.18 0.88 -0.45 1.44 4.07 -1.27 -1.40 115.31 118.76 3kpi h LEU 211 Ca -0.00 -0.43 0.04 0.00 0.08 0.00 0.00 57.88 57.56 3kpi h LEU 211 Cb 0.99 -0.25 -0.04 0.00 1.08 0.00 0.00 40.66 42.44 3kpi h LEU 211 CO 0.08 1.20 0.21 0.74 -1.08 0.00 0.00 178.44 179.60 3kpi h THR 212 N 0.64 0.95 -0.53 0.22 2.02 -1.16 -1.64 112.91 113.41 3kpi h THR 212 Ca 0.03 -0.15 -0.05 0.00 0.77 0.00 0.00 66.41 67.02 3kpi h THR 212 Cb 1.05 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 3kpi h THR 212 CO 0.10 0.08 0.13 0.50 0.37 0.00 0.00 175.52 176.70 3kpi h LYS 213 N 0.43 0.80 -0.14 6.66 3.64 -1.10 -1.79 116.57 125.07 3kpi h LYS 213 Ca 0.19 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 3kpi h LYS 213 Cb 0.12 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3kpi h LYS 213 CO -0.15 0.72 0.05 0.78 -2.27 0.00 0.00 179.45 178.58 3kpi h GLY 214 N 0.95 0.23 0.96 5.01 0.00 -0.78 -0.37 103.07 109.08 3kpi h GLY 214 Ca 0.17 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 3kpi h GLY 214 CO -0.00 0.12 0.19 1.41 0.00 0.00 0.00 176.54 178.26 3kpi h LEU 215 N 0.05 0.41 -0.27 3.11 3.38 -1.17 -2.17 115.31 118.65 3kpi h LEU 215 Ca 0.05 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 57.97 3kpi h LEU 215 Cb 0.20 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3kpi h LEU 215 CO -0.00 0.37 0.07 0.50 0.09 0.00 0.00 178.44 179.47 3kpi h LYS 216 N 0.42 0.18 -0.10 1.13 3.64 -1.23 -0.74 116.57 119.86 3kpi h LYS 216 Ca 0.12 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.52 3kpi h LYS 216 Cb 0.05 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3kpi h LYS 216 CO -0.02 0.12 0.08 0.93 -2.27 0.00 0.00 179.45 178.29 3kpi h GLU 217 N 0.18 0.00 -0.17 1.90 5.08 -0.82 -0.79 114.58 119.96 3kpi h GLU 217 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3kpi h GLU 217 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3kpi h GLU 217 CO -0.15 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.25 3kpi n GLU 218 N -4.27 1.81 -2.33 2.33 -0.58 -0.60 -4.91 120.64 112.08 3kpi n GLU 218 Ca -0.00 -1.21 -0.12 0.00 -0.42 0.00 0.00 57.16 55.40 3kpi n GLU 218 Cb 0.20 -1.42 0.00 0.00 -0.57 0.00 0.00 31.44 29.65 3kpi n GLU 218 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kpi n GLY 219 N 1.17 -0.11 3.74 0.62 0.00 -0.30 -5.00 105.19 105.32 3kpi n GLY 219 Ca 0.17 -0.35 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 3kpi n GLY 219 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kpi s ILE 220 N -2.67 5.41 -0.18 -0.61 1.01 -0.39 -4.64 121.20 119.13 3kpi s ILE 220 Ca 0.04 0.21 -0.15 0.00 0.00 0.00 0.00 60.65 60.75 3kpi s ILE 220 Cb -0.02 -3.47 -0.04 0.00 0.01 0.00 0.00 42.46 38.94 3kpi s ILE 220 CO 0.05 0.45 0.33 -0.70 0.00 0.00 0.00 174.94 175.07 3kpi s GLU 221 N 0.27 4.22 -0.05 2.79 2.12 -0.29 -4.25 118.70 123.51 3kpi s GLU 221 Ca 0.09 0.13 0.04 0.00 0.36 0.00 0.00 54.97 55.59 3kpi s GLU 221 Cb -0.11 -3.48 -0.02 0.00 0.26 0.00 0.00 34.13 30.78 3kpi s GLU 221 CO -0.01 0.11 -0.16 0.00 -0.54 0.00 0.00 175.26 174.66 3kpi s ALA 222 N 0.85 2.58 -0.06 6.30 0.00 -1.26 0.21 121.76 130.38 3kpi s ALA 222 Ca 0.17 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 51.16 3kpi s ALA 222 Cb -0.14 -0.90 0.01 0.00 0.00 0.00 0.00 23.12 22.09 3kpi s ALA 222 CO 0.06 0.54 -0.13 0.71 0.00 0.00 0.00 175.76 176.94 3kpi s TYR 223 N -0.68 1.47 0.45 0.00 2.02 0.59 -4.94 117.35 116.26 3kpi s TYR 223 Ca 0.10 -0.51 0.07 0.00 -0.37 0.00 0.00 57.07 56.36 3kpi s TYR 223 Cb -0.11 -1.06 -0.02 0.00 -0.40 0.00 0.00 41.96 40.37 3kpi s TYR 223 CO 0.00 -0.25 0.30 0.95 -1.57 0.00 0.00 175.55 174.98 3kpi s THR 224 N 0.52 2.23 -1.51 -0.71 -4.23 -1.26 -1.30 115.64 109.37 3kpi s THR 224 Ca -0.12 -1.54 -0.06 0.00 -1.18 0.00 0.00 61.69 58.79 3kpi s THR 224 Cb -0.15 -2.76 0.01 0.00 1.34 0.00 0.00 72.50 70.94 3kpi s THR 224 CO 0.03 0.00 0.73 0.59 -0.54 0.00 0.00 174.62 175.44 3kpi n ASN 225 N -1.47 -6.09 -4.65 3.99 3.02 0.37 -4.77 115.26 105.65 3kpi n ASN 225 Ca -0.00 -0.35 -0.32 0.00 -0.03 0.00 0.00 54.58 53.87 3kpi n ASN 225 Cb 0.64 -4.90 -0.09 0.00 -0.61 0.00 0.00 39.78 34.82 3kpi n ASN 225 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kpi s LYS 227 N -1.51 1.46 -0.17 0.00 -2.85 0.21 -3.43 119.74 113.46 3kpi s LYS 227 Ca 0.19 -0.54 -0.25 0.00 -1.00 0.00 0.00 55.97 54.36 3kpi s LYS 227 Cb -0.11 -1.33 -0.01 0.00 -2.06 0.00 0.00 37.83 34.31 3kpi s LYS 227 CO 0.09 0.26 0.83 0.08 0.10 0.00 0.00 175.35 176.71 3kpi s VAL 228 N -0.08 4.88 -0.01 1.79 1.01 -1.26 -0.44 120.40 126.29 3kpi s VAL 228 Ca -0.00 1.63 0.05 0.00 0.00 0.00 0.00 61.98 63.66 3kpi s VAL 228 Cb -0.09 -4.14 -0.24 0.00 0.00 0.00 0.00 36.38 31.91 3kpi s VAL 228 CO 0.01 0.03 0.81 0.71 0.00 0.00 0.00 175.10 176.66 3kpi h THR 229 N 5.18 1.08 -2.14 3.92 1.35 -1.18 -3.46 112.91 117.66 3kpi h THR 229 Ca -0.30 -2.83 0.17 0.00 -0.55 0.00 0.00 66.41 62.91 3kpi h THR 229 Cb 1.13 2.61 -0.12 0.00 -1.73 0.00 0.00 68.15 70.04 3kpi h THR 229 CO 0.84 0.72 0.55 -1.59 -0.25 0.00 0.00 175.52 175.79 3kpi s LYS 230 N -2.62 0.89 -0.17 4.72 -2.85 -1.23 -4.32 119.74 114.16 3kpi s LYS 230 Ca -0.07 -0.43 0.00 0.00 -1.00 0.00 0.00 55.97 54.48 3kpi s LYS 230 Cb 0.08 0.34 0.03 0.00 -2.06 0.00 0.00 37.83 36.23 3kpi s LYS 230 CO 0.83 -0.40 -0.10 0.08 0.10 0.00 0.00 175.35 175.85 3kpi s VAL 231 N -3.05 1.47 -0.10 1.79 1.01 -0.03 -1.15 120.40 120.34 3kpi s VAL 231 Ca 0.09 -0.75 -0.06 0.00 0.00 0.00 0.00 61.98 61.26 3kpi s VAL 231 Cb -0.00 -1.50 0.04 0.00 0.00 0.00 0.00 36.38 34.92 3kpi s VAL 231 CO -0.03 0.28 0.24 -0.70 0.00 0.00 0.00 175.10 174.89 3kpi s GLU 232 N 1.50 0.23 -1.48 2.72 2.12 -0.02 -4.07 118.70 119.69 3kpi s GLU 232 Ca 0.02 0.45 -0.11 0.00 0.36 0.00 0.00 54.97 55.70 3kpi s GLU 232 Cb -0.15 -0.03 0.06 0.00 0.26 0.00 0.00 34.13 34.28 3kpi s GLU 232 CO -0.09 -0.12 0.92 -0.25 -0.54 0.00 0.00 175.26 175.19 3kpi n ASP 233 N 3.78 -4.02 -1.73 -1.70 8.00 -1.26 -1.02 116.55 118.59 3kpi n ASP 233 Ca -0.21 -0.79 -0.16 0.00 0.71 0.00 0.00 54.79 54.34 3kpi n ASP 233 Cb 0.55 -3.94 -0.02 0.00 -0.02 0.00 0.00 41.12 37.69 3kpi n ASP 233 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3kpi n ASN 234 N -2.89 -4.90 -4.09 -2.24 3.02 -1.26 -4.96 115.26 97.94 3kpi n ASN 234 Ca -0.04 0.08 -0.21 0.00 -0.03 0.00 0.00 54.58 54.38 3kpi n ASN 234 Cb 0.56 -3.97 -0.15 0.00 -0.61 0.00 0.00 39.78 35.62 3kpi n ASN 234 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3kpi s LYS 235 N -4.50 1.01 -0.26 3.52 1.02 -0.19 -0.52 119.74 119.82 3kpi s LYS 235 Ca 0.00 -0.50 -0.09 0.00 0.02 0.00 0.00 55.97 55.39 3kpi s LYS 235 Cb 0.00 -0.98 -0.04 0.00 -0.52 0.00 0.00 37.83 36.29 3kpi s LYS 235 CO 0.00 0.27 0.13 1.41 -0.92 0.00 0.00 175.35 176.24 3kpi s MET 236 N -0.44 3.82 -0.36 1.68 -2.45 0.15 -0.84 119.30 120.86 3kpi s MET 236 Ca 0.04 -0.39 -0.19 0.00 -1.25 0.00 0.00 55.69 53.90 3kpi s MET 236 Cb -0.05 -3.49 0.00 0.00 1.25 0.00 0.00 34.83 32.53 3kpi s MET 236 CO -0.00 -0.17 0.55 0.71 1.05 0.00 0.00 175.02 177.17 3kpi s TYR 237 N 1.64 3.16 -0.08 4.11 2.02 -0.30 -0.73 117.35 127.16 3kpi s TYR 237 Ca 0.07 0.19 0.03 0.00 -0.37 0.00 0.00 57.07 56.99 3kpi s TYR 237 Cb -0.15 -3.01 -0.01 0.00 -0.40 0.00 0.00 41.96 38.38 3kpi s TYR 237 CO 0.07 -0.59 -0.18 0.08 -1.57 0.00 0.00 175.55 173.36 3kpi s VAL 238 N 2.50 2.63 -0.11 0.71 1.01 -0.21 -0.53 120.40 126.42 3kpi s VAL 238 Ca 0.20 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.34 3kpi s VAL 238 Cb -0.15 -2.04 -0.02 0.00 0.00 0.00 0.00 36.38 34.17 3kpi s VAL 238 CO 0.14 0.56 -0.10 -0.89 0.00 0.00 0.00 175.10 174.81 3kpi s THR 239 N -0.07 3.35 -0.04 3.92 2.01 0.42 -0.50 115.64 124.72 3kpi s THR 239 Ca -0.04 -0.58 0.07 0.00 0.31 0.00 0.00 61.69 61.45 3kpi s THR 239 Cb -0.14 -2.39 -0.01 0.00 0.01 0.00 0.00 72.50 69.96 3kpi s THR 239 CO 0.04 0.55 -0.25 -1.58 -0.69 0.00 0.00 174.62 172.69 3kpi s GLN 240 N -0.09 2.24 0.35 4.92 0.74 -0.28 -0.62 119.66 126.92 3kpi s GLN 240 Ca -0.01 -0.89 0.09 0.00 0.05 0.00 0.00 55.36 54.61 3kpi s GLN 240 Cb -0.14 -2.03 -0.06 0.00 1.10 0.00 0.00 33.01 31.88 3kpi s GLN 240 CO 0.03 0.46 -0.06 0.14 -0.55 0.00 0.00 175.29 175.31 3kpi s VAL 241 N -0.38 2.28 0.70 1.34 -7.23 -0.57 -0.74 120.40 115.80 3kpi s VAL 241 Ca 0.03 -2.13 -0.02 0.00 -1.81 0.00 0.00 61.98 58.06 3kpi s VAL 241 Cb -0.11 -2.72 0.14 0.00 0.56 0.00 0.00 36.38 34.24 3kpi s VAL 241 CO 0.01 -0.17 0.95 -0.90 -0.31 0.00 0.00 175.10 174.68 3kpi n ASP 242 N -0.85 1.15 0.27 4.85 5.75 -0.17 -4.81 116.55 122.74 3kpi n ASP 242 Ca -0.05 -2.00 0.18 0.00 -0.01 0.00 0.00 54.79 52.91 3kpi n ASP 242 Cb 0.64 -0.63 0.90 0.00 -1.03 0.00 0.00 41.12 41.00 3kpi n ASP 242 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 3kpi h GLU 243 N 0.00 0.00 -0.25 0.11 4.57 -1.99 0.96 114.58 117.98 3kpi h GLU 243 Ca -0.31 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.87 3kpi h GLU 243 Cb 1.13 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.72 3kpi h GLU 243 CO 0.33 0.00 0.00 1.63 -1.18 0.00 0.00 179.01 179.79 3kpi n LYS 244 N -3.33 2.28 -0.48 1.92 5.02 -1.26 -4.62 118.16 117.69 3kpi n LYS 244 Ca 0.00 -1.91 0.00 0.00 -2.02 0.00 0.00 58.31 54.38 3kpi n LYS 244 Cb 0.32 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 3kpi n LYS 244 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kpi n GLY 245 N 1.38 1.31 3.73 0.72 0.00 0.33 -5.03 105.19 107.63 3kpi n GLY 245 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3kpi n GLY 245 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kpi s GLU 246 N -0.27 4.40 0.25 1.61 2.12 -1.26 -4.71 118.70 120.83 3kpi s GLU 246 Ca 0.00 1.98 -0.30 0.00 0.36 0.00 0.00 54.97 57.02 3kpi s GLU 246 Cb 0.00 -3.24 -0.09 0.00 0.26 0.00 0.00 34.13 31.06 3kpi s GLU 246 CO 0.00 -0.27 1.13 -0.08 -0.54 0.00 0.00 175.26 175.49 3kpi s THR 247 N 0.49 3.52 -0.01 -1.70 -1.32 -1.26 -1.00 115.64 114.36 3kpi s THR 247 Ca 0.58 1.45 0.01 0.00 -1.21 0.00 0.00 61.69 62.52 3kpi s THR 247 Cb -0.35 -3.92 -0.01 0.00 -1.51 0.00 0.00 72.50 66.71 3kpi s THR 247 CO 0.34 0.31 0.02 2.30 -2.21 0.00 0.00 174.62 175.39 3kpi n ILE 248 N 1.58 0.00 -3.47 5.08 -5.35 0.08 -4.88 119.36 112.41 3kpi n ILE 248 Ca 0.00 -0.17 -0.12 0.00 -0.27 0.00 0.00 62.75 62.19 3kpi n ILE 248 Cb 0.45 0.65 -0.03 0.00 -1.74 0.00 0.00 39.64 38.97 3kpi n ILE 248 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 3kpi s LYS 249 N -1.74 1.09 0.12 6.28 -2.85 -1.17 -5.04 119.74 116.44 3kpi s LYS 249 Ca -0.00 -0.28 0.08 0.00 -1.00 0.00 0.00 55.97 54.77 3kpi s LYS 249 Cb 0.01 0.50 -0.04 0.00 -2.06 0.00 0.00 37.83 36.24 3kpi s LYS 249 CO 0.03 -0.45 -0.15 -1.21 0.10 0.00 0.00 175.35 173.67 3kpi s GLU 250 N -3.05 1.90 0.08 1.78 2.02 -1.26 -1.12 118.70 119.06 3kpi s GLU 250 Ca -0.00 -1.13 0.05 0.00 0.02 0.00 0.00 54.97 53.91 3kpi s GLU 250 Cb -0.01 -2.18 -0.03 0.00 0.10 0.00 0.00 34.13 32.01 3kpi s GLU 250 CO -0.08 0.49 -0.14 -1.64 0.02 0.00 0.00 175.26 173.91 3kpi s MET 251 N -2.20 0.87 -0.20 1.61 -1.94 0.34 -4.99 119.30 112.79 3kpi s MET 251 Ca 0.19 -1.02 0.01 0.00 -1.71 0.00 0.00 55.69 53.16 3kpi s MET 251 Cb -0.11 -0.85 0.04 0.00 2.01 0.00 0.00 34.83 35.92 3kpi s MET 251 CO 0.12 0.18 -0.14 0.08 -0.01 0.00 0.00 175.02 175.25 3kpi s VAL 252 N -1.47 1.85 -0.20 -6.03 1.01 -1.26 -1.04 120.40 113.25 3kpi s VAL 252 Ca 0.01 -1.04 -0.03 0.00 0.00 0.00 0.00 61.98 60.92 3kpi s VAL 252 Cb -0.09 -1.82 -0.01 0.00 0.00 0.00 0.00 36.38 34.46 3kpi s VAL 252 CO 0.02 0.29 -0.06 -0.76 0.00 0.00 0.00 175.10 174.59 3kpi s LEU 253 N 1.33 2.84 0.39 3.92 1.43 0.09 -4.92 118.68 123.76 3kpi s LEU 253 Ca 0.00 -0.38 -0.27 0.00 -1.03 0.00 0.00 54.13 52.45 3kpi s LEU 253 Cb -0.15 -1.71 -0.09 0.00 0.03 0.00 0.00 46.19 44.27 3kpi s LEU 253 CO -0.09 0.02 1.29 -2.16 0.23 0.00 0.00 176.35 175.64 3kpi s PRO 254 N 1.24 4.07 -0.07 1.29 0.04 -1.26 0.31 135.00 140.61 3kpi s PRO 254 Ca 0.03 2.15 -0.01 0.00 0.04 0.00 0.00 61.00 63.20 3kpi s PRO 254 Cb -0.14 -2.83 0.03 0.00 0.04 0.00 0.00 34.50 31.60 3kpi s PRO 254 CO -0.02 -0.40 0.00 0.08 0.04 0.00 0.00 177.00 176.70 3kpi s VAL 255 N -1.24 0.38 -0.17 -0.36 1.01 0.32 -4.70 120.40 115.64 3kpi s VAL 255 Ca 0.55 0.12 -0.09 0.00 0.00 0.00 0.00 61.98 62.55 3kpi s VAL 255 Cb -0.38 -0.54 -0.23 0.00 0.00 0.00 0.00 36.38 35.24 3kpi s VAL 255 CO 0.49 0.26 0.21 1.17 0.00 0.00 0.00 175.10 177.23 3kpi n LYS 256 N 5.15 0.69 -4.14 2.72 3.00 -0.19 -4.77 118.16 120.63 3kpi n LYS 256 Ca -0.07 0.31 -0.21 0.00 -0.00 0.00 0.00 58.31 58.35 3kpi n LYS 256 Cb 0.50 -1.68 -0.16 0.00 0.00 0.00 0.00 35.03 33.69 3kpi n LYS 256 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 3kpi s PHE 257 N -2.51 0.79 0.05 5.64 2.19 -1.06 -4.89 117.98 118.19 3kpi s PHE 257 Ca -0.26 -0.23 -0.03 0.00 0.33 0.00 0.00 56.93 56.73 3kpi s PHE 257 Cb 0.07 -0.71 -0.02 0.00 -1.31 0.00 0.00 43.02 41.05 3kpi s PHE 257 CO 0.69 -0.22 0.04 0.20 1.83 0.00 0.00 175.22 177.77 3kpi s GLY 258 N 1.02 0.30 -0.26 13.12 0.00 -0.92 -1.89 107.32 118.69 3kpi s GLY 258 Ca -0.09 -0.86 -0.03 0.00 0.00 0.00 0.00 44.72 43.74 3kpi s GLY 258 CO -0.00 -0.98 0.46 -0.29 0.00 0.00 0.00 173.10 172.28 3kpi s MET 259 N -3.26 0.42 -0.09 2.90 0.00 -0.71 0.21 119.30 118.77 3kpi s MET 259 Ca 0.01 0.75 0.04 0.00 0.00 0.00 0.00 55.69 56.49 3kpi s MET 259 Cb 0.03 -0.06 -0.00 0.00 0.00 0.00 0.00 34.83 34.80 3kpi s MET 259 CO -0.08 -0.59 -0.23 -1.64 0.00 0.00 0.00 175.02 172.48 3kpi s MET 260 N 2.66 2.86 -0.03 4.11 -1.94 -1.05 -1.30 119.30 124.61 3kpi s MET 260 Ca 0.13 -0.84 -0.30 0.00 -1.71 0.00 0.00 55.69 52.97 3kpi s MET 260 Cb -0.15 -2.20 -0.07 0.00 2.01 0.00 0.00 34.83 34.42 3kpi s MET 260 CO -0.17 0.20 1.85 0.42 -0.01 0.00 0.00 175.02 177.30 3kpi s ILE 261 N 0.29 3.27 0.78 2.53 -1.09 -0.24 -4.73 121.20 122.02 3kpi s ILE 261 Ca -0.16 0.32 -0.11 0.00 -2.23 0.00 0.00 60.65 58.46 3kpi s ILE 261 Cb -0.17 -3.22 0.06 0.00 -1.58 0.00 0.00 42.46 37.55 3kpi s ILE 261 CO 0.08 -0.04 1.09 -2.16 -1.23 0.00 0.00 174.94 172.68 3kpi s PRO 262 N 4.46 2.19 0.57 2.79 0.04 -1.26 -0.91 135.00 142.89 3kpi s PRO 262 Ca 0.83 0.69 -0.19 0.00 0.04 0.00 0.00 61.00 62.37 3kpi s PRO 262 Cb -0.37 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.20 3kpi s PRO 262 CO 0.36 -1.56 1.14 0.00 0.04 0.00 0.00 177.00 176.98 3kpi s ALA 263 N -3.14 2.63 -0.13 8.56 0.00 -1.26 -4.51 121.76 123.91 3kpi s ALA 263 Ca 0.60 0.80 -0.06 0.00 0.00 0.00 0.00 51.96 53.30 3kpi s ALA 263 Cb -0.14 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 3kpi s ALA 263 CO 0.54 -0.92 0.10 -0.06 0.00 0.00 0.00 175.76 175.42 3kpi s PHE 264 N -1.85 3.45 0.41 0.00 0.08 -1.26 -1.17 117.98 117.63 3kpi s PHE 264 Ca 0.72 0.38 0.04 0.00 0.12 0.00 0.00 56.93 58.19 3kpi s PHE 264 Cb -0.24 -1.95 -0.04 0.00 -0.57 0.00 0.00 43.02 40.21 3kpi s PHE 264 CO 0.30 0.56 0.05 0.15 -0.10 0.00 0.00 175.22 176.19 3kpi s LYS 265 N -0.67 1.93 0.40 0.44 1.02 0.55 -4.92 119.74 118.50 3kpi s LYS 265 Ca 0.12 -2.15 -0.24 0.00 0.02 0.00 0.00 55.97 53.72 3kpi s LYS 265 Cb -0.12 -1.15 -0.09 0.00 -0.52 0.00 0.00 37.83 35.96 3kpi s LYS 265 CO 0.02 -0.27 1.06 0.20 -0.92 0.00 0.00 175.35 175.45 3kpi s GLY 266 N -3.67 2.76 0.66 -3.33 0.00 0.11 0.11 107.32 103.96 3kpi s GLY 266 Ca 0.25 0.74 -0.17 0.00 0.00 0.00 0.00 44.72 45.54 3kpi s GLY 266 CO 0.13 1.18 1.23 -1.34 0.00 0.00 0.00 173.10 174.29 3kpi s VAL 267 N -1.62 2.36 0.21 1.40 -7.23 -1.26 -4.51 120.40 109.75 3kpi s VAL 267 Ca 0.58 0.20 -0.10 0.00 -1.81 0.00 0.00 61.98 60.85 3kpi s VAL 267 Cb -0.23 -2.96 0.14 0.00 0.56 0.00 0.00 36.38 33.89 3kpi s VAL 267 CO 0.29 -0.07 1.83 -0.65 -0.31 0.00 0.00 175.10 176.19 3kpi h PRO 268 N 0.35 0.75 -0.74 4.82 0.11 -1.96 0.11 132.00 135.45 3kpi h PRO 268 Ca -0.50 -0.04 0.06 0.00 0.11 0.00 0.00 66.00 65.63 3kpi h PRO 268 Cb 1.31 -0.17 -0.05 0.00 0.11 0.00 0.00 31.00 32.20 3kpi h PRO 268 CO 0.53 0.49 0.49 0.00 -0.21 0.00 0.00 178.00 179.30 3kpi h ALA 269 N 1.32 1.69 0.11 -0.75 0.00 -1.83 0.86 119.26 120.66 3kpi h ALA 269 Ca 0.29 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.99 3kpi h ALA 269 Cb 0.10 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.70 3kpi h ALA 269 CO -0.14 0.19 -0.86 0.28 0.00 0.00 0.00 179.25 178.73 3kpi h VAL 270 N 0.77 1.41 -0.24 0.00 2.07 -1.79 -3.31 116.25 115.16 3kpi h VAL 270 Ca 0.32 -2.46 -0.03 0.00 0.82 0.00 0.00 66.70 65.35 3kpi h VAL 270 Cb 0.26 3.07 -0.01 0.00 -1.52 0.00 0.00 31.29 33.08 3kpi h VAL 270 CO -0.11 0.68 0.03 0.00 0.02 0.00 0.00 177.57 178.19 3kpi h ALA 271 N 0.01 1.61 0.00 1.67 0.00 -0.52 -1.80 119.26 120.23 3kpi h ALA 271 Ca -0.17 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3kpi h ALA 271 Cb 1.56 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.24 3kpi h ALA 271 CO 0.09 0.30 0.00 0.41 0.00 0.00 0.00 179.25 180.05 3kpi n GLY 272 N -1.14 -0.68 3.62 0.00 0.00 0.27 -4.72 105.19 102.54 3kpi n GLY 272 Ca 0.00 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 3kpi n GLY 272 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kpi s VAL 273 N -2.00 4.82 -0.30 1.61 1.01 -0.68 -4.97 120.40 119.89 3kpi s VAL 273 Ca 0.24 1.28 -0.41 0.00 0.00 0.00 0.00 61.98 63.09 3kpi s VAL 273 Cb 0.11 -4.12 -0.17 0.00 0.00 0.00 0.00 36.38 32.20 3kpi s VAL 273 CO 0.18 -0.18 1.68 1.21 0.00 0.00 0.00 175.10 178.00 3kpi n GLU 274 N 6.12 0.90 -0.85 2.72 2.13 -1.26 -1.34 120.64 129.05 3kpi n GLU 274 Ca 0.04 0.33 0.00 0.00 0.66 0.00 0.00 57.16 58.19 3kpi n GLU 274 Cb 0.48 -1.97 0.00 0.00 0.27 0.00 0.00 31.44 30.22 3kpi n GLU 274 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kpi n GLY 275 N 4.03 0.55 0.14 8.31 0.00 -1.26 -4.87 105.19 112.09 3kpi n GLY 275 Ca 0.27 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.14 3kpi n GLY 275 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kpi h LEU 276 N 0.00 0.53 -9.20 0.99 5.85 -1.56 -3.42 115.31 108.50 3kpi h LEU 276 Ca 0.00 -0.46 -0.52 0.00 0.84 0.00 0.00 57.88 57.74 3kpi h LEU 276 Cb 0.08 -0.16 -0.14 0.00 0.37 0.00 0.00 40.66 40.81 3kpi h LEU 276 CO 0.00 1.29 -0.67 0.00 -0.34 0.00 0.00 178.44 178.71 3kpi s ASN 278 N -3.48 3.01 0.52 0.00 2.20 -0.20 -4.84 114.94 112.15 3kpi s ASN 278 Ca 0.30 0.41 0.20 0.00 -0.94 0.00 0.00 52.86 52.83 3kpi s ASN 278 Cb 0.04 -0.55 1.32 0.00 -2.00 0.00 0.00 41.25 40.05 3kpi s ASN 278 CO 0.13 -2.81 2.09 -0.65 -2.94 0.00 0.00 177.10 172.92 3kpi h PRO 279 N -1.69 0.01 0.00 3.55 0.11 -2.01 0.18 132.00 132.15 3kpi h PRO 279 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3kpi h PRO 279 Cb 1.26 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3kpi h PRO 279 CO 0.42 0.01 0.00 0.41 -0.21 0.00 0.00 178.00 178.62 3kpi n GLY 280 N -1.58 -0.92 1.42 -0.55 0.00 -1.26 -4.89 105.19 97.41 3kpi n GLY 280 Ca 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3kpi n GLY 280 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kpi n GLY 281 N 0.30 0.58 3.81 -0.02 0.00 0.62 -0.71 105.19 109.76 3kpi n GLY 281 Ca 0.08 -0.63 -0.38 0.00 0.00 0.00 0.00 46.02 45.10 3kpi n GLY 281 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kpi s PHE 282 N -2.00 3.70 -0.04 1.61 0.08 -1.26 -3.70 117.98 116.37 3kpi s PHE 282 Ca 0.00 1.03 -0.30 0.00 0.12 0.00 0.00 56.93 57.78 3kpi s PHE 282 Cb 0.00 -2.39 -0.05 0.00 -0.57 0.00 0.00 43.02 40.01 3kpi s PHE 282 CO 0.00 0.53 1.53 0.08 -0.10 0.00 0.00 175.22 177.27 3kpi s VAL 283 N -0.73 3.66 -0.33 -0.44 1.01 0.38 -1.04 120.40 122.90 3kpi s VAL 283 Ca 0.25 0.90 -0.29 0.00 0.00 0.00 0.00 61.98 62.85 3kpi s VAL 283 Cb -0.17 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.63 3kpi s VAL 283 CO 0.14 -0.05 1.39 -0.76 0.00 0.00 0.00 175.10 175.82 3kpi s LEU 284 N 3.38 3.77 0.30 3.92 1.43 -0.62 -0.76 118.68 130.10 3kpi s LEU 284 Ca 0.68 1.13 0.09 0.00 -1.03 0.00 0.00 54.13 55.01 3kpi s LEU 284 Cb -0.32 -3.54 -0.06 0.00 0.03 0.00 0.00 46.19 42.31 3kpi s LEU 284 CO 0.27 -1.24 -0.12 0.68 0.23 0.00 0.00 176.35 176.17 3kpi s VAL 285 N 4.89 2.14 0.24 -1.59 -7.23 -1.26 -1.36 120.40 116.22 3kpi s VAL 285 Ca 0.60 -2.25 -0.00 0.00 -1.81 0.00 0.00 61.98 58.52 3kpi s VAL 285 Cb -0.17 -2.45 0.05 0.00 0.56 0.00 0.00 36.38 34.37 3kpi s VAL 285 CO 0.27 -0.32 0.32 -0.90 -0.31 0.00 0.00 175.10 174.17 3kpi n ASP 286 N -0.66 0.40 0.00 4.85 3.85 -0.26 -4.82 116.55 119.91 3kpi n ASP 286 Ca -0.05 -1.35 0.07 0.00 -0.71 0.00 0.00 54.79 52.75 3kpi n ASP 286 Cb 0.62 -0.21 0.33 0.00 -1.35 0.00 0.00 41.12 40.51 3kpi n ASP 286 CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.20 174.35 3kpi n GLU 287 N -1.61 0.15 -0.33 0.11 0.28 -1.26 -2.06 120.64 115.92 3kpi n GLU 287 Ca 0.05 0.18 0.11 0.00 -0.16 0.00 0.00 57.16 57.34 3kpi n GLU 287 Cb 0.19 -1.50 0.29 0.00 1.43 0.00 0.00 31.44 31.85 3kpi n GLU 287 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 3kpi n HIS 288 N -1.34 0.87 -1.01 -1.84 8.25 -1.26 -3.68 115.22 115.21 3kpi n HIS 288 Ca 0.06 -0.48 -0.00 0.00 -0.26 0.00 0.00 57.72 57.03 3kpi n HIS 288 Cb 0.12 -0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.23 3kpi n HIS 288 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3kpi n GLN 289 N 1.47 -0.67 -3.25 -0.41 1.13 -0.87 -4.44 117.38 110.34 3kpi n GLN 289 Ca 0.22 0.21 -0.39 0.00 -1.94 0.00 0.00 57.00 55.11 3kpi n GLN 289 Cb 0.59 -3.74 -0.06 0.00 0.11 0.00 0.00 30.24 27.14 3kpi n GLN 289 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 3kpi s ARG 290 N -0.82 4.26 0.32 -1.09 3.52 -1.26 -1.52 118.95 122.36 3kpi s ARG 290 Ca 0.00 0.71 -0.29 0.00 -0.13 0.00 0.00 55.73 56.02 3kpi s ARG 290 Cb 0.00 -3.30 -0.12 0.00 -1.56 0.00 0.00 34.95 29.96 3kpi s ARG 290 CO 0.00 0.47 1.33 0.45 -0.81 0.00 0.00 175.30 176.74 3kpi n SER 291 N 2.37 2.85 0.18 -2.12 2.88 0.11 -1.10 113.62 118.80 3kpi n SER 291 Ca -0.08 1.19 0.06 0.00 -1.33 0.00 0.00 58.87 58.71 3kpi n SER 291 Cb 0.51 -1.48 0.28 0.00 -0.75 0.00 0.00 64.21 62.77 3kpi n SER 291 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 3kpi h LYS 292 N 2.96 0.00 0.03 -1.46 1.57 -1.54 -3.30 116.57 114.84 3kpi h LYS 292 Ca -0.46 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.01 3kpi h LYS 292 Cb 1.28 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.55 3kpi h LYS 292 CO 0.66 0.38 -1.78 1.17 -0.57 0.00 0.00 179.45 179.30 3kpi n LYS 293 N -3.42 0.66 -3.92 3.15 3.00 -1.26 -4.87 118.16 111.51 3kpi n LYS 293 Ca 0.00 0.29 -0.28 0.00 -0.00 0.00 0.00 58.31 58.33 3kpi n LYS 293 Cb 0.55 -1.77 -0.17 0.00 0.00 0.00 0.00 35.03 33.64 3kpi n LYS 293 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 3kpi s TYR 294 N -2.59 1.68 0.32 5.64 1.51 -1.24 -5.02 117.35 117.65 3kpi s TYR 294 Ca -0.09 -0.94 0.35 0.00 -1.01 0.00 0.00 57.07 55.38 3kpi s TYR 294 Cb 0.08 -1.32 1.65 0.00 -0.11 0.00 0.00 41.96 42.26 3kpi s TYR 294 CO 0.81 -0.57 2.10 0.00 -1.11 0.00 0.00 175.55 176.78 3kpi h ALA 295 N 8.14 1.06 -0.66 3.71 0.00 -1.90 -2.44 119.26 127.16 3kpi h ALA 295 Ca -0.29 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3kpi h ALA 295 Cb 1.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3kpi h ALA 295 CO 0.42 0.05 0.00 0.27 0.00 0.00 0.00 179.25 179.99 3kpi n ASN 296 N -3.22 4.31 -4.28 0.00 2.04 -1.26 -4.87 115.26 107.98 3kpi n ASN 296 Ca -0.01 -2.24 -0.33 0.00 -0.44 0.00 0.00 54.58 51.55 3kpi n ASN 296 Cb 0.24 -0.52 -0.15 0.00 -2.53 0.00 0.00 39.78 36.82 3kpi n ASN 296 CO 0.00 0.00 0.00 -0.63 -0.44 0.00 0.00 177.26 176.19 3kpi s ILE 297 N -1.46 2.80 0.39 1.53 1.01 -0.92 -1.46 121.20 123.10 3kpi s ILE 297 Ca 0.48 -0.72 0.08 0.00 0.00 0.00 0.00 60.65 60.49 3kpi s ILE 297 Cb 0.29 -2.20 -0.06 0.00 0.01 0.00 0.00 42.46 40.50 3kpi s ILE 297 CO 0.28 0.50 0.12 -0.36 0.00 0.00 0.00 174.94 175.48 3kpi s PHE 298 N 0.86 2.59 -0.07 3.97 0.08 0.13 0.07 117.98 125.62 3kpi s PHE 298 Ca -0.04 -0.56 -0.21 0.00 0.12 0.00 0.00 56.93 56.25 3kpi s PHE 298 Cb -0.15 -1.81 0.04 0.00 -0.57 0.00 0.00 43.02 40.53 3kpi s PHE 298 CO -0.00 0.30 0.47 0.00 -0.10 0.00 0.00 175.22 175.89 3kpi s ALA 299 N -2.59 -1.21 0.06 5.36 0.00 -0.58 0.44 121.76 123.24 3kpi s ALA 299 Ca 0.39 0.90 -0.06 0.00 0.00 0.00 0.00 51.96 53.18 3kpi s ALA 299 Cb 0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.99 3kpi s ALA 299 CO 0.21 -0.29 0.12 0.00 0.00 0.00 0.00 175.76 175.80 3kpi s ALA 300 N -0.91 -0.06 0.00 0.00 0.00 0.19 -4.81 121.76 116.17 3kpi s ALA 300 Ca -0.10 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.20 3kpi s ALA 300 Cb -0.03 0.35 0.00 0.00 0.00 0.00 0.00 23.12 23.44 3kpi s ALA 300 CO 0.05 -0.41 0.00 0.41 0.00 0.00 0.00 175.76 175.81 3kpi n GLY 301 N 0.31 -0.88 0.26 0.00 0.00 -1.26 -4.10 105.19 99.53 3kpi n GLY 301 Ca -0.16 -1.41 0.11 0.00 0.00 0.00 0.00 46.02 44.56 3kpi n GLY 301 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3kpi h ILE 302 N 0.00 0.72 0.00 -0.61 2.04 -1.89 -2.58 117.51 115.18 3kpi h ILE 302 Ca 0.00 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.51 3kpi h ILE 302 Cb 0.00 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 3kpi h ILE 302 CO 0.00 0.09 0.00 0.00 0.00 0.00 0.00 178.15 178.24 3kpi h ALA 303 N 1.91 1.00 -2.30 1.87 0.00 -1.73 -3.44 119.26 116.58 3kpi h ALA 303 Ca -0.00 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.42 3kpi h ALA 303 Cb 0.20 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.00 3kpi h ALA 303 CO 0.01 0.00 0.17 0.96 0.00 0.00 0.00 179.25 180.39 3kpi s ILE 304 N -4.08 4.76 -0.07 0.00 -4.36 -0.98 -0.47 121.20 115.99 3kpi s ILE 304 Ca -0.04 0.67 -0.24 0.00 -0.26 0.00 0.00 60.65 60.78 3kpi s ILE 304 Cb 0.12 -3.76 -0.03 0.00 1.25 0.00 0.00 42.46 40.04 3kpi s ILE 304 CO 0.43 -0.63 0.72 0.00 0.24 0.00 0.00 174.94 175.70 3kpi s ALA 305 N -2.51 3.34 -0.19 2.27 0.00 0.06 -4.62 121.76 120.11 3kpi s ALA 305 Ca 0.52 0.14 -0.01 0.00 0.00 0.00 0.00 51.96 52.61 3kpi s ALA 305 Cb -0.10 -3.00 0.05 0.00 0.00 0.00 0.00 23.12 20.07 3kpi s ALA 305 CO 0.34 -0.16 -0.04 0.42 0.00 0.00 0.00 175.76 176.32 3kpi s ILE 306 N 0.95 1.11 0.32 0.00 1.01 -1.26 -4.72 121.20 118.61 3kpi s ILE 306 Ca 0.38 -0.75 -0.29 0.00 0.00 0.00 0.00 60.65 59.99 3kpi s ILE 306 Cb -0.18 -1.36 -0.12 0.00 0.01 0.00 0.00 42.46 40.81 3kpi s ILE 306 CO 0.18 0.02 1.35 -2.65 0.00 0.00 0.00 174.94 173.85 3kpi n PRO 307 N 4.86 2.21 -1.82 2.79 -0.02 -1.26 -4.95 135.00 136.81 3kpi n PRO 307 Ca -0.11 0.78 -0.38 0.00 -2.02 0.00 0.00 63.50 61.76 3kpi n PRO 307 Cb 0.47 -2.40 0.04 0.00 -0.02 0.00 0.00 33.50 31.58 3kpi n PRO 307 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3kpi s PRO 308 N -1.54 3.15 0.00 0.52 0.02 -1.26 -4.93 135.00 130.96 3kpi s PRO 308 Ca 0.58 2.19 0.17 0.00 0.02 0.00 0.00 61.00 63.96 3kpi s PRO 308 Cb -0.57 -2.24 0.05 0.00 0.02 0.00 0.00 34.50 31.76 3kpi s PRO 308 CO 0.59 -1.17 0.95 1.33 -0.33 0.00 0.00 177.00 178.38 3kpi n VAL 309 N -1.05 0.00 -3.70 3.83 0.24 -1.26 -5.01 118.33 111.38 3kpi n VAL 309 Ca 0.10 -0.38 -0.10 0.00 -2.04 0.00 0.00 64.34 61.92 3kpi n VAL 309 Cb 0.45 1.26 -0.03 0.00 -1.47 0.00 0.00 33.84 34.05 3kpi n VAL 309 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 3kpi s GLU 310 N -1.82 1.41 0.13 7.34 2.12 -1.26 -5.06 118.70 121.57 3kpi s GLU 310 Ca 0.16 -0.81 0.08 0.00 0.36 0.00 0.00 54.97 54.76 3kpi s GLU 310 Cb 0.14 0.54 -0.04 0.00 0.26 0.00 0.00 34.13 35.04 3kpi s GLU 310 CO 0.36 -0.61 -0.18 -0.08 -0.54 0.00 0.00 175.26 174.21 3kpi s THR 311 N -3.86 1.69 0.16 -1.70 -1.32 -1.26 -5.06 115.64 104.29 3kpi s THR 311 Ca 0.08 -1.73 0.07 0.00 -1.21 0.00 0.00 61.69 58.91 3kpi s THR 311 Cb -0.02 -1.66 -0.04 0.00 -1.51 0.00 0.00 72.50 69.27 3kpi s THR 311 CO -0.03 -0.23 -0.16 0.42 -2.21 0.00 0.00 174.62 172.41 3kpi s THR 312 N -1.70 1.63 0.23 5.08 -4.23 -1.26 -5.05 115.64 110.34 3kpi s THR 312 Ca 0.11 -1.93 -0.06 0.00 -1.18 0.00 0.00 61.69 58.62 3kpi s THR 312 Cb -0.07 -1.80 0.19 0.00 1.34 0.00 0.00 72.50 72.16 3kpi s THR 312 CO 0.05 -0.43 1.72 -0.65 -0.54 0.00 0.00 174.62 174.78 3kpi h PRO 313 N 3.15 0.37 -5.38 3.99 0.11 -1.90 -3.33 132.00 129.01 3kpi h PRO 313 Ca -0.40 -0.02 -0.62 0.00 0.11 0.00 0.00 66.00 65.06 3kpi h PRO 313 Cb 1.21 -0.08 -0.13 0.00 0.11 0.00 0.00 31.00 32.10 3kpi h PRO 313 CO 0.54 0.25 -0.53 0.08 -0.21 0.00 0.00 178.00 178.13 3kpi s VAL 314 N -6.05 5.09 0.14 3.15 1.01 -1.26 -4.77 120.40 117.70 3kpi s VAL 314 Ca -0.13 0.07 -0.35 0.00 0.00 0.00 0.00 61.98 61.58 3kpi s VAL 314 Cb 0.19 -3.28 -0.15 0.00 0.00 0.00 0.00 36.38 33.14 3kpi s VAL 314 CO 0.75 0.49 1.41 -2.65 0.00 0.00 0.00 175.10 175.10 3kpi n PRO 315 N 3.18 1.59 -4.21 2.72 -0.02 -1.25 -4.84 135.00 132.17 3kpi n PRO 315 Ca -0.17 0.57 -0.12 0.00 -2.02 0.00 0.00 63.50 61.76 3kpi n PRO 315 Cb 0.53 -2.24 -0.10 0.00 -0.02 0.00 0.00 33.50 31.66 3kpi n PRO 315 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3kpi s THR 316 N 0.50 0.67 0.36 3.45 -4.23 -1.26 0.65 115.64 115.78 3kpi s THR 316 Ca 0.79 -1.96 0.08 0.00 -1.18 0.00 0.00 61.69 59.42 3kpi s THR 316 Cb -0.81 -1.92 -0.07 0.00 1.34 0.00 0.00 72.50 71.04 3kpi s THR 316 CO 0.45 -0.65 -0.04 -0.83 -0.54 0.00 0.00 174.62 173.00 3kpi s GLY 317 N -3.11 2.28 -0.04 3.99 0.00 0.21 -4.87 107.32 105.77 3kpi s GLY 317 Ca 0.19 -2.16 -0.13 0.00 0.00 0.00 0.00 44.72 42.62 3kpi s GLY 317 CO 0.00 -2.03 0.33 0.00 0.00 0.00 0.00 173.10 171.40 3kpi s ALA 318 N -2.72 3.74 0.50 3.20 0.00 -1.26 -4.26 121.76 120.96 3kpi s ALA 318 Ca 0.33 -0.35 -0.20 0.00 0.00 0.00 0.00 51.96 51.75 3kpi s ALA 318 Cb 0.06 -2.27 -0.08 0.00 0.00 0.00 0.00 23.12 20.83 3kpi s ALA 318 CO 0.17 0.50 1.06 -1.25 0.00 0.00 0.00 175.76 176.23 3kpi s PRO 319 N -0.97 3.69 -0.28 0.00 0.04 -1.10 -4.89 135.00 131.49 3kpi s PRO 319 Ca 0.21 1.40 -0.05 0.00 0.04 0.00 0.00 61.00 62.60 3kpi s PRO 319 Cb -0.15 -2.08 0.02 0.00 0.04 0.00 0.00 34.50 32.33 3kpi s PRO 319 CO 0.10 -0.53 0.02 0.15 0.04 0.00 0.00 177.00 176.79 3kpi s LYS 320 N -3.29 2.96 0.48 4.56 1.02 -1.26 -4.92 119.74 119.29 3kpi s LYS 320 Ca 0.68 -0.92 0.04 0.00 0.02 0.00 0.00 55.97 55.79 3kpi s LYS 320 Cb -0.18 -3.22 -0.03 0.00 -0.52 0.00 0.00 37.83 33.89 3kpi s LYS 320 CO 0.22 -0.44 0.10 0.95 -0.92 0.00 0.00 175.35 175.26 3kpi s THR 321 N 1.42 1.62 0.12 2.17 -4.23 -1.26 -4.85 115.64 110.63 3kpi s THR 321 Ca 0.01 -1.86 -0.24 0.00 -1.18 0.00 0.00 61.69 58.41 3kpi s THR 321 Cb -0.17 -2.48 -0.05 0.00 1.34 0.00 0.00 72.50 71.13 3kpi s THR 321 CO -0.00 0.00 1.66 1.23 -0.54 0.00 0.00 174.62 176.97 3kpi h GLY 322 N 1.36 -0.25 0.65 3.99 0.00 -1.96 -1.21 103.07 105.64 3kpi h GLY 322 Ca -0.43 0.23 0.04 0.00 0.00 0.00 0.00 47.33 47.18 3kpi h GLY 322 CO 0.72 -0.18 0.09 -1.82 0.00 0.00 0.00 176.54 175.35 3kpi h TYR 323 N -0.30 0.15 -0.25 5.60 3.20 -1.91 -0.04 116.97 123.42 3kpi h TYR 323 Ca 0.06 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.86 3kpi h TYR 323 Cb 0.38 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 3kpi h TYR 323 CO -0.24 0.05 -0.22 1.98 -1.64 0.00 0.00 178.16 178.08 3kpi h MET 324 N 0.21 0.47 -0.27 1.82 4.05 -1.74 -1.39 114.93 118.09 3kpi h MET 324 Ca 0.16 -0.16 -0.03 0.00 -0.28 0.00 0.00 59.70 59.38 3kpi h MET 324 Cb 0.16 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 30.91 3kpi h MET 324 CO -0.19 0.66 0.06 0.82 0.23 0.00 0.00 176.91 178.49 3kpi h ILE 325 N 0.42 1.22 -0.36 1.77 2.04 -0.58 -0.66 117.51 121.35 3kpi h ILE 325 Ca 0.07 -0.72 -0.03 0.00 1.00 0.00 0.00 64.86 65.17 3kpi h ILE 325 Cb 0.61 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 3kpi h ILE 325 CO 0.04 0.23 0.10 -0.33 0.00 0.00 0.00 178.15 178.20 3kpi h GLU 326 N 0.26 0.52 -0.50 2.37 4.39 -0.76 -0.23 114.58 120.64 3kpi h GLU 326 Ca 0.08 -0.08 -0.08 0.00 0.34 0.00 0.00 59.36 59.62 3kpi h GLU 326 Cb 0.30 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 3kpi h GLU 326 CO 0.00 0.47 -0.03 1.03 -1.16 0.00 0.00 179.01 179.33 3kpi h SER 327 N 0.51 0.82 -0.44 1.42 0.87 -0.90 -0.63 113.55 115.21 3kpi h SER 327 Ca 0.12 -0.22 -0.11 0.00 -1.23 0.00 0.00 61.79 60.36 3kpi h SER 327 Cb 0.18 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 3kpi h SER 327 CO -0.01 0.90 -0.15 0.24 -0.53 0.00 0.00 176.83 177.29 3kpi h MET 328 N 0.78 0.88 -0.08 2.24 2.86 0.09 -2.25 114.93 119.46 3kpi h MET 328 Ca 0.14 -0.36 -0.00 0.00 -2.06 0.00 0.00 59.70 57.43 3kpi h MET 328 Cb 0.51 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.12 3kpi h MET 328 CO 0.03 1.00 0.05 0.28 1.06 0.00 0.00 176.91 179.32 3kpi h VAL 329 N 0.71 1.06 -0.59 -2.22 2.07 -0.66 -0.58 116.25 116.04 3kpi h VAL 329 Ca 0.11 -0.15 0.04 0.00 0.82 0.00 0.00 66.70 67.52 3kpi h VAL 329 Cb 0.70 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 3kpi h VAL 329 CO 0.05 0.05 0.34 -1.28 0.02 0.00 0.00 177.57 176.75 3kpi h SER 330 N 0.06 0.53 -0.43 0.57 0.87 -1.10 0.35 113.55 114.40 3kpi h SER 330 Ca 0.03 0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.56 3kpi h SER 330 Cb 0.04 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 61.89 3kpi h SER 330 CO -0.01 0.36 0.11 0.00 -0.53 0.00 0.00 176.83 176.76 3kpi h ALA 331 N 1.28 0.57 -0.79 6.23 0.00 -1.16 -1.58 119.26 123.81 3kpi h ALA 331 Ca 0.25 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3kpi h ALA 331 Cb 0.08 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3kpi h ALA 331 CO -0.13 0.25 0.52 0.00 0.00 0.00 0.00 179.25 179.89 3kpi h ALA 332 N 0.96 1.02 -0.19 0.00 0.00 -0.48 0.12 119.26 120.69 3kpi h ALA 332 Ca 0.14 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3kpi h ALA 332 Cb 0.32 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3kpi h ALA 332 CO 0.00 0.39 -0.03 0.28 0.00 0.00 0.00 179.25 179.90 3kpi h VAL 333 N 1.05 1.27 -0.52 0.00 2.07 -0.78 -0.83 116.25 118.52 3kpi h VAL 333 Ca 0.30 -0.95 0.03 0.00 0.82 0.00 0.00 66.70 66.89 3kpi h VAL 333 Cb -0.09 1.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 3kpi h VAL 333 CO -0.08 0.29 0.31 -0.74 0.02 0.00 0.00 177.57 177.37 3kpi h HIS 334 N 0.08 0.58 0.00 1.57 6.17 -1.07 -1.99 115.15 120.48 3kpi h HIS 334 Ca 0.05 0.02 -0.06 0.00 0.71 0.00 0.00 60.37 61.08 3kpi h HIS 334 Cb 0.45 -0.18 -0.01 0.00 2.52 0.00 0.00 27.41 30.18 3kpi h HIS 334 CO 0.04 0.32 -0.31 -0.91 0.71 0.00 0.00 177.93 177.79 3kpi h ASN 335 N 0.61 0.00 -0.17 3.26 -0.26 -0.47 -1.22 115.58 117.33 3kpi h ASN 335 Ca 0.21 0.00 -0.11 0.00 -0.56 0.00 0.00 56.30 55.84 3kpi h ASN 335 Cb 0.04 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.30 3kpi h ASN 335 CO -0.10 0.31 -0.33 0.40 -1.06 0.00 0.00 177.43 176.65 3kpi h ILE 336 N 0.00 1.35 -0.37 2.81 2.04 -0.95 -1.82 117.51 120.57 3kpi h ILE 336 Ca -0.00 -1.57 0.03 0.00 1.00 0.00 0.00 64.86 64.31 3kpi h ILE 336 Cb 1.01 1.95 -0.03 0.00 -0.74 0.00 0.00 36.82 39.01 3kpi h ILE 336 CO 0.04 0.48 0.18 0.50 0.00 0.00 0.00 178.15 179.35 3kpi h LYS 337 N 0.15 0.36 -0.33 2.37 3.64 -1.12 -0.87 116.57 120.78 3kpi h LYS 337 Ca 0.01 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.42 3kpi h LYS 337 Cb 0.92 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.60 3kpi h LYS 337 CO 0.07 0.24 -0.01 0.00 -2.27 0.00 0.00 179.45 177.49 3kpi h ALA 338 N 1.19 0.29 -0.97 5.00 0.00 -1.21 -1.90 119.26 121.66 3kpi h ALA 338 Ca 0.15 0.10 0.11 0.00 0.00 0.00 0.00 54.91 55.28 3kpi h ALA 338 Cb 0.06 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 17.94 3kpi h ALA 338 CO -0.11 -0.41 0.62 0.22 0.00 0.00 0.00 179.25 179.57 3kpi h ASP 339 N 0.09 0.88 -0.56 0.00 3.58 -0.38 0.66 116.42 120.68 3kpi h ASP 339 Ca 0.16 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.64 3kpi h ASP 339 Cb 0.22 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 41.10 3kpi h ASP 339 CO -0.28 0.48 0.33 -0.07 -2.88 0.00 0.00 179.24 176.82 3kpi h LEU 340 N 0.95 0.70 -2.35 2.28 3.38 -0.44 -2.44 115.31 117.39 3kpi h LEU 340 Ca 0.47 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.40 3kpi h LEU 340 Cb 0.48 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3kpi h LEU 340 CO -0.23 0.55 0.00 -0.62 0.09 0.00 0.00 178.44 178.23 3kpi n GLU 341 N -4.40 3.08 -1.20 1.13 1.02 0.14 -4.90 120.64 115.50 3kpi n GLU 341 Ca 0.05 -1.80 -0.07 0.00 -0.02 0.00 0.00 57.16 55.32 3kpi n GLU 341 Cb 0.09 -1.85 -0.03 0.00 -0.02 0.00 0.00 31.44 29.63 3kpi n GLU 341 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kpi n GLY 342 N 0.51 0.83 3.83 0.62 0.00 -0.91 -5.01 105.19 105.05 3kpi n GLY 342 Ca 0.16 -0.23 -0.22 0.00 0.00 0.00 0.00 46.02 45.73 3kpi n GLY 342 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kpi s ARG 343 N -2.22 2.64 -0.17 1.61 0.52 -0.68 -5.00 118.95 115.65 3kpi s ARG 343 Ca 0.00 -1.36 -0.16 0.00 -0.52 0.00 0.00 55.73 53.69 3kpi s ARG 343 Cb 0.00 -2.41 -0.04 0.00 0.52 0.00 0.00 34.95 33.02 3kpi s ARG 343 CO 0.00 0.08 0.41 0.21 0.02 0.00 0.00 175.30 176.02 3kpi s LYS 344 N -3.97 4.24 0.14 3.54 2.20 -1.26 -3.20 119.74 121.43 3kpi s LYS 344 Ca 0.41 0.26 -0.30 0.00 -0.36 0.00 0.00 55.97 55.98 3kpi s LYS 344 Cb -0.05 -3.49 -0.07 0.00 -1.51 0.00 0.00 37.83 32.72 3kpi s LYS 344 CO 0.26 0.06 0.99 0.20 -0.36 0.00 0.00 175.35 176.50 3kpi s GLY 345 N 0.82 2.99 0.00 5.54 0.00 -1.26 -4.95 107.32 110.46 3kpi s GLY 345 Ca 0.21 0.63 0.10 0.00 0.00 0.00 0.00 44.72 45.66 3kpi s GLY 345 CO 0.08 1.46 0.94 1.18 0.00 0.00 0.00 173.10 176.76 3kpi n GLU 346 N 2.52 1.09 -2.31 2.90 -0.58 -1.26 -4.95 120.64 118.06 3kpi n GLU 346 Ca 0.02 -1.36 -0.39 0.00 -0.42 0.00 0.00 57.16 55.01 3kpi n GLU 346 Cb 0.48 -1.21 -0.02 0.00 -0.57 0.00 0.00 31.44 30.11 3kpi n GLU 346 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 3kpi s GLN 347 N -0.90 4.18 0.36 3.49 0.74 -1.26 -4.99 119.66 121.27 3kpi s GLN 347 Ca 0.15 1.87 0.06 0.00 0.05 0.00 0.00 55.36 57.48 3kpi s GLN 347 Cb 0.09 -2.79 -0.07 0.00 1.10 0.00 0.00 33.01 31.34 3kpi s GLN 347 CO 0.13 -0.22 0.02 0.95 -0.55 0.00 0.00 175.29 175.62 3kpi s THR 348 N -1.35 1.62 0.47 -0.34 -4.23 -1.26 -4.37 115.64 106.18 3kpi s THR 348 Ca 0.54 -2.02 0.14 0.00 -1.18 0.00 0.00 61.69 59.17 3kpi s THR 348 Cb -0.32 -2.83 0.30 0.00 1.34 0.00 0.00 72.50 70.99 3kpi s THR 348 CO 0.40 -0.04 2.06 -0.03 -0.54 0.00 0.00 174.62 176.47 3kpi h MET 349 N 1.99 0.26 0.00 3.99 4.05 -1.80 -3.44 114.93 119.98 3kpi h MET 349 Ca -0.42 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 58.98 3kpi h MET 349 Cb 1.24 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.98 3kpi h MET 349 CO 0.74 0.17 0.00 0.41 0.23 0.00 0.00 176.91 178.46 3kpi n GLY 350 N -1.53 -1.67 3.73 1.39 0.00 -1.26 -4.70 105.19 101.15 3kpi n GLY 350 Ca 0.04 -1.58 -0.41 0.00 0.00 0.00 0.00 46.02 44.06 3kpi n GLY 350 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kpi s THR 351 N 0.00 3.71 0.28 2.61 2.01 -1.26 -4.96 115.64 118.02 3kpi s THR 351 Ca 0.00 1.35 -0.29 0.00 0.31 0.00 0.00 61.69 63.06 3kpi s THR 351 Cb 0.00 -3.86 -0.14 0.00 0.01 0.00 0.00 72.50 68.51 3kpi s THR 351 CO 0.00 0.17 1.13 1.87 -0.69 0.00 0.00 174.62 177.11 3kpi n TRP 352 N 3.07 1.59 -3.61 4.92 -0.00 -1.26 -5.00 117.44 117.15 3kpi n TRP 352 Ca 0.06 0.64 -0.11 0.00 -0.00 0.00 0.00 57.50 58.09 3kpi n TRP 352 Cb 0.45 -2.31 -0.05 0.00 -0.00 0.00 0.00 31.31 29.40 3kpi n TRP 352 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 3kpi s ASN 353 N -0.34 -0.30 -0.04 5.87 4.22 -1.26 -4.29 114.94 118.80 3kpi s ASN 353 Ca 0.61 -0.17 0.04 0.00 -2.14 0.00 0.00 52.86 51.20 3kpi s ASN 353 Cb -0.69 0.48 -0.00 0.00 1.28 0.00 0.00 41.25 42.32 3kpi s ASN 353 CO 0.58 -0.81 -0.15 0.00 -2.04 0.00 0.00 177.10 174.68 3kpi s ALA 354 N -3.37 1.39 -0.03 3.54 0.00 -0.20 -4.67 121.76 118.42 3kpi s ALA 354 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.35 3kpi s ALA 354 Cb 0.01 -0.48 0.03 0.00 0.00 0.00 0.00 23.12 22.68 3kpi s ALA 354 CO -0.09 0.24 0.01 0.08 0.00 0.00 0.00 175.76 176.00 3kpi s VAL 355 N 0.11 0.13 -0.08 0.00 1.01 -1.26 -1.00 120.40 119.31 3kpi s VAL 355 Ca -0.04 0.13 -0.06 0.00 0.00 0.00 0.00 61.98 62.00 3kpi s VAL 355 Cb -0.11 -0.25 0.03 0.00 0.00 0.00 0.00 36.38 36.04 3kpi s VAL 355 CO 0.02 0.15 0.21 0.00 0.00 0.00 0.00 175.10 175.48 3kpi s PHE 357 N 0.45 2.46 -0.21 0.00 0.08 -1.26 -1.40 117.98 118.10 3kpi s PHE 357 Ca -0.03 -1.38 -0.02 0.00 0.12 0.00 0.00 56.93 55.62 3kpi s PHE 357 Cb -0.04 -1.74 0.00 0.00 -0.57 0.00 0.00 43.02 40.67 3kpi s PHE 357 CO -0.02 -0.70 -0.10 0.00 -0.10 0.00 0.00 175.22 174.30 3kpi s ALA 358 N 1.27 2.63 -0.26 5.36 0.00 0.14 -5.00 121.76 125.90 3kpi s ALA 358 Ca 0.02 -1.19 -0.11 0.00 0.00 0.00 0.00 51.96 50.69 3kpi s ALA 358 Cb -0.13 -1.51 -0.05 0.00 0.00 0.00 0.00 23.12 21.43 3kpi s ALA 358 CO -0.10 -0.40 0.18 0.34 0.00 0.00 0.00 175.76 175.78 3kpi s ASP 359 N 1.41 6.08 0.00 0.00 -1.08 -1.26 -0.98 116.67 120.83 3kpi s ASP 359 Ca 0.05 0.06 0.20 0.00 -0.52 0.00 0.00 52.55 52.34 3kpi s ASP 359 Cb -0.14 -2.11 0.37 0.00 -1.46 0.00 0.00 42.92 39.58 3kpi s ASP 359 CO -0.07 0.01 1.31 0.23 0.52 0.00 0.00 175.17 177.17 3kpi n MET 360 N 4.66 2.32 0.00 4.34 2.81 0.12 -4.96 117.12 126.41 3kpi n MET 360 Ca -0.14 -2.13 0.00 0.00 -1.81 0.00 0.00 57.70 53.62 3kpi n MET 360 Cb 0.52 -1.44 0.00 0.00 -0.71 0.00 0.00 33.22 31.59 3kpi n MET 360 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kpi n GLY 361 N 1.25 0.92 0.00 3.03 0.00 -1.26 -4.77 105.19 104.36 3kpi n GLY 361 Ca 0.17 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3kpi n GLY 361 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kpi n ASP 362 N 0.00 0.90 -3.99 1.61 3.85 -1.26 -4.99 116.55 112.67 3kpi n ASP 362 Ca 0.00 -1.06 -0.10 0.00 -0.71 0.00 0.00 54.79 52.93 3kpi n ASP 362 Cb 0.00 0.00 -0.08 0.00 -1.35 0.00 0.00 41.12 39.69 3kpi n ASP 362 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3kpi s ARG 363 N -0.06 1.10 0.08 0.11 1.70 -1.26 -4.36 118.95 116.27 3kpi s ARG 363 Ca 0.00 -1.21 -0.03 0.00 -0.47 0.00 0.00 55.73 54.01 3kpi s ARG 363 Cb 0.00 0.35 0.01 0.00 -0.57 0.00 0.00 34.95 34.74 3kpi s ARG 363 CO 0.00 -0.39 0.17 0.41 -1.08 0.00 0.00 175.30 174.41 3kpi n GLY 364 N -0.19 1.78 3.31 3.88 0.00 -0.49 -0.70 105.19 112.78 3kpi n GLY 364 Ca -0.07 -1.06 -0.29 0.00 0.00 0.00 0.00 46.02 44.59 3kpi n GLY 364 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kpi s ALA 365 N -1.23 2.08 0.02 4.61 0.00 -0.16 -1.10 121.76 125.99 3kpi s ALA 365 Ca 0.03 -1.15 0.01 0.00 0.00 0.00 0.00 51.96 50.85 3kpi s ALA 365 Cb -0.01 -0.47 -0.02 0.00 0.00 0.00 0.00 23.12 22.63 3kpi s ALA 365 CO 0.03 0.50 -0.04 0.00 0.00 0.00 0.00 175.76 176.24 3kpi s ALA 366 N -0.72 0.24 0.04 0.00 0.00 0.11 0.24 121.76 121.68 3kpi s ALA 366 Ca 0.10 -0.51 -0.00 0.00 0.00 0.00 0.00 51.96 51.55 3kpi s ALA 366 Cb -0.10 0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.07 3kpi s ALA 366 CO 0.01 -0.08 -0.04 -0.59 0.00 0.00 0.00 175.76 175.06 3kpi s PHE 367 N -1.11 0.46 -0.04 0.00 -0.71 -0.49 -0.01 117.98 116.08 3kpi s PHE 367 Ca -0.11 -0.81 0.00 0.00 -1.04 0.00 0.00 56.93 54.98 3kpi s PHE 367 Cb -0.08 -0.32 0.02 0.00 -1.21 0.00 0.00 43.02 41.43 3kpi s PHE 367 CO -0.00 -0.27 -0.02 0.42 -1.34 0.00 0.00 175.22 174.01 3kpi s ILE 368 N -2.77 0.39 -0.03 -4.49 1.01 -0.34 -2.02 121.20 112.95 3kpi s ILE 368 Ca -0.03 -0.01 0.02 0.00 0.00 0.00 0.00 60.65 60.63 3kpi s ILE 368 Cb -0.00 -0.47 0.01 0.00 0.01 0.00 0.00 42.46 42.01 3kpi s ILE 368 CO -0.05 0.21 -0.06 0.00 0.00 0.00 0.00 174.94 175.04 3kpi s ALA 369 N 1.16 0.66 -0.18 9.38 0.00 -0.17 -1.07 121.76 131.55 3kpi s ALA 369 Ca -0.08 -0.16 -0.28 0.00 0.00 0.00 0.00 51.96 51.45 3kpi s ALA 369 Cb -0.14 -0.32 0.11 0.00 0.00 0.00 0.00 23.12 22.77 3kpi s ALA 369 CO -0.01 0.06 0.90 -0.48 0.00 0.00 0.00 175.76 176.22 3kpi s LEU 370 N 0.49 -0.51 0.00 0.00 0.05 -0.44 -1.04 118.68 117.23 3kpi s LEU 370 Ca -0.07 0.73 0.00 0.00 0.05 0.00 0.00 54.13 54.85 3kpi s LEU 370 Cb -0.10 2.10 0.00 0.00 -2.05 0.00 0.00 46.19 46.14 3kpi s LEU 370 CO 0.00 -0.34 0.00 -0.81 -0.55 0.00 0.00 176.35 174.65 3kpi n PRO 371 N 1.41 1.48 -0.06 1.48 -0.04 -1.26 -0.59 135.00 137.41 3kpi n PRO 371 Ca -0.13 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.18 3kpi n PRO 371 Cb 0.57 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.97 3kpi n PRO 371 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 3kpi h GLN 372 N 0.00 0.61 -6.07 0.54 4.15 -1.88 -3.44 115.11 109.02 3kpi h GLN 372 Ca 0.00 -0.38 -0.60 0.00 0.77 0.00 0.00 58.65 58.44 3kpi h GLN 372 Cb 0.00 0.04 -0.05 0.00 0.21 0.00 0.00 27.48 27.68 3kpi h GLN 372 CO 0.00 1.00 -0.15 -1.17 -1.93 0.00 0.00 178.83 176.58 3kpi s LEU 373 N -8.83 4.48 0.53 -2.39 2.96 -1.26 -4.97 118.68 109.20 3kpi s LEU 373 Ca -0.13 1.05 -0.17 0.00 -0.22 0.00 0.00 54.13 54.67 3kpi s LEU 373 Cb 0.07 -2.69 -0.07 0.00 0.50 0.00 0.00 46.19 44.00 3kpi s LEU 373 CO 0.82 0.29 1.00 -0.54 -1.32 0.00 0.00 176.35 176.61 3kpi s LYS 374 N -0.99 3.80 0.27 1.98 1.02 -1.26 -4.30 119.74 120.25 3kpi s LYS 374 Ca 0.25 1.05 -0.29 0.00 0.02 0.00 0.00 55.97 57.00 3kpi s LYS 374 Cb -0.17 -2.11 -0.09 0.00 -0.52 0.00 0.00 37.83 34.93 3kpi s LYS 374 CO 0.15 -0.40 1.21 -1.25 -0.92 0.00 0.00 175.35 174.14 3kpi s PRO 375 N -3.97 4.49 0.24 -1.68 0.04 -1.26 -5.16 135.00 127.71 3kpi s PRO 375 Ca 0.61 1.98 -0.03 0.00 0.04 0.00 0.00 61.00 63.60 3kpi s PRO 375 Cb -0.12 -3.16 -0.05 0.00 0.04 0.00 0.00 34.50 31.22 3kpi s PRO 375 CO 0.31 -0.03 0.46 1.03 0.04 0.00 0.00 177.00 178.81 3kpi s ARG 376 N -1.17 3.57 0.08 4.56 0.52 -1.26 -4.76 118.95 120.48 3kpi s ARG 376 Ca 0.49 -0.19 0.12 0.00 -0.52 0.00 0.00 55.73 55.63 3kpi s ARG 376 Cb -0.35 -2.76 -0.16 0.00 0.52 0.00 0.00 34.95 32.20 3kpi s ARG 376 CO 0.44 0.33 0.99 0.87 0.02 0.00 0.00 175.30 177.94 3kpi h LYS 377 N 1.89 0.00 -3.56 3.54 1.57 -1.19 -3.45 116.57 115.36 3kpi h LYS 377 Ca -0.48 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.01 3kpi h LYS 377 Cb 1.19 0.00 -0.33 0.00 0.08 0.00 0.00 32.23 33.17 3kpi h LYS 377 CO 0.67 0.58 -0.73 0.08 -0.57 0.00 0.00 179.45 179.48 3kpi s VAL 378 N -2.76 -0.04 -0.45 0.50 1.01 -0.81 -5.01 120.40 112.84 3kpi s VAL 378 Ca -0.01 0.18 0.06 0.00 0.00 0.00 0.00 61.98 62.21 3kpi s VAL 378 Cb 0.09 -0.07 0.22 0.00 0.00 0.00 0.00 36.38 36.61 3kpi s VAL 378 CO 0.81 0.08 0.65 -0.67 0.00 0.00 0.00 175.10 175.96 3kpi n ASP 379 N 4.00 -1.60 -4.29 3.32 2.03 -1.23 -1.32 116.55 117.46 3kpi n ASP 379 Ca -0.25 -2.88 -0.33 0.00 0.52 0.00 0.00 54.79 51.85 3kpi n ASP 379 Cb 0.52 0.61 -0.16 0.00 -0.72 0.00 0.00 41.12 41.37 3kpi n ASP 379 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3kpi s VAL 380 N 0.01 2.58 -0.16 5.18 1.01 -0.23 -3.47 120.40 125.32 3kpi s VAL 380 Ca 0.33 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.49 3kpi s VAL 380 Cb 0.14 -2.05 0.02 0.00 0.00 0.00 0.00 36.38 34.49 3kpi s VAL 380 CO -0.16 0.54 -0.15 0.12 0.00 0.00 0.00 175.10 175.45 3kpi s PHE 381 N 0.48 2.31 -0.01 5.22 2.19 -1.26 -1.20 117.98 125.70 3kpi s PHE 381 Ca -0.12 -1.34 0.06 0.00 0.33 0.00 0.00 56.93 55.87 3kpi s PHE 381 Cb -0.16 -1.66 -0.02 0.00 -1.31 0.00 0.00 43.02 39.87 3kpi s PHE 381 CO 0.05 -0.70 -0.21 0.00 1.83 0.00 0.00 175.22 176.19 3kpi s ALA 382 N 1.44 1.72 -0.05 11.12 0.00 0.98 -4.65 121.76 132.33 3kpi s ALA 382 Ca 0.04 -0.90 0.05 0.00 0.00 0.00 0.00 51.96 51.16 3kpi s ALA 382 Cb -0.13 -0.43 -0.01 0.00 0.00 0.00 0.00 23.12 22.55 3kpi s ALA 382 CO -0.11 0.42 -0.21 -0.47 0.00 0.00 0.00 175.76 175.39 3kpi s TYR 383 N -0.50 2.08 0.00 0.00 6.14 -1.26 -0.71 117.35 123.10 3kpi s TYR 383 Ca 0.08 -0.59 0.00 0.00 0.64 0.00 0.00 57.07 57.20 3kpi s TYR 383 Cb -0.08 -1.38 0.00 0.00 0.42 0.00 0.00 41.96 40.92 3kpi s TYR 383 CO -0.01 -0.18 0.00 0.41 0.64 0.00 0.00 175.55 176.42 3kpi n GLY 384 N 2.99 -0.70 0.27 8.97 0.00 -0.26 -4.97 105.19 111.49 3kpi n GLY 384 Ca -0.17 -1.19 0.02 0.00 0.00 0.00 0.00 46.02 44.67 3kpi n GLY 384 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3kpi h ARG 385 N 0.00 0.43 -0.03 1.61 3.08 -1.86 -1.24 114.38 116.37 3kpi h ARG 385 Ca 0.00 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 3kpi h ARG 385 Cb 0.00 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 3kpi h ARG 385 CO 0.00 0.43 -0.08 0.11 -1.07 0.00 0.00 179.97 179.36 3kpi h TRP 386 N 0.43 0.04 -0.38 3.04 5.08 -1.93 -0.31 115.95 121.91 3kpi h TRP 386 Ca 0.10 -0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.05 3kpi h TRP 386 Cb 0.22 -0.01 -0.02 0.00 -3.00 0.00 0.00 29.16 26.35 3kpi h TRP 386 CO 0.01 0.12 0.17 0.28 -1.28 0.00 0.00 178.44 177.74 3kpi h VAL 387 N 0.04 1.14 -0.25 0.12 2.07 -1.81 0.34 116.25 117.90 3kpi h VAL 387 Ca 0.01 -0.40 -0.05 0.00 0.82 0.00 0.00 66.70 67.08 3kpi h VAL 387 Cb 0.17 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 3kpi h VAL 387 CO 0.01 0.16 -0.04 -0.74 0.02 0.00 0.00 177.57 176.98 3kpi h HIS 388 N 0.53 0.53 -0.72 1.57 -0.00 -1.20 -1.57 115.15 114.29 3kpi h HIS 388 Ca 0.13 -0.11 0.04 0.00 -0.00 0.00 0.00 60.37 60.44 3kpi h HIS 388 Cb 0.07 -0.13 -0.05 0.00 -0.00 0.00 0.00 27.41 27.30 3kpi h HIS 388 CO 0.00 0.67 0.44 -0.07 -0.00 0.00 0.00 177.93 178.97 3kpi h LEU 389 N 0.23 0.71 -0.26 0.26 3.38 -1.25 -1.70 115.31 116.67 3kpi h LEU 389 Ca 0.07 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 3kpi h LEU 389 Cb 0.49 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3kpi h LEU 389 CO 0.02 0.48 0.00 0.00 0.09 0.00 0.00 178.44 179.03 3kpi h ALA 390 N 1.33 0.35 -0.63 1.53 0.00 -0.82 -0.80 119.26 120.22 3kpi h ALA 390 Ca 0.30 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3kpi h ALA 390 Cb 0.08 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3kpi h ALA 390 CO -0.13 0.08 0.39 -0.22 0.00 0.00 0.00 179.25 179.36 3kpi h LYS 391 N 0.23 0.74 -0.30 0.00 1.63 -1.10 0.42 116.57 118.20 3kpi h LYS 391 Ca 0.07 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 59.80 3kpi h LYS 391 Cb 0.41 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.86 3kpi h LYS 391 CO 0.01 0.49 0.09 0.28 -3.45 0.00 0.00 179.45 176.87 3kpi h VAL 392 N 0.77 1.21 -0.65 2.00 2.07 -1.06 -2.33 116.25 118.25 3kpi h VAL 392 Ca 0.25 -0.67 -0.04 0.00 0.82 0.00 0.00 66.70 67.07 3kpi h VAL 392 Cb 0.02 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 3kpi h VAL 392 CO -0.10 0.22 0.26 0.00 0.02 0.00 0.00 177.57 177.98 3kpi h ALA 393 N 0.92 0.84 -0.45 1.67 0.00 -0.73 -2.36 119.26 119.15 3kpi h ALA 393 Ca 0.10 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 3kpi h ALA 393 Cb 0.26 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3kpi h ALA 393 CO -0.00 0.45 -0.05 0.35 0.00 0.00 0.00 179.25 180.00 3kpi h PHE 394 N 0.91 0.91 -0.61 0.00 3.57 -0.84 -0.94 116.94 119.94 3kpi h PHE 394 Ca 0.22 -0.18 0.01 0.00 3.53 0.00 0.00 57.97 61.55 3kpi h PHE 394 Cb 0.20 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.67 3kpi h PHE 394 CO 0.01 0.90 0.40 1.49 -2.23 0.00 0.00 178.31 178.88 3kpi h GLU 395 N 0.67 0.80 -0.65 1.11 4.81 -1.32 0.11 114.58 120.11 3kpi h GLU 395 Ca 0.12 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.31 3kpi h GLU 395 Cb 0.57 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 3kpi h GLU 395 CO 0.03 0.53 0.43 -0.22 -0.73 0.00 0.00 179.01 179.05 3kpi h LYS 396 N 0.82 0.86 -0.12 1.92 3.64 -1.14 -1.63 116.57 120.92 3kpi h LYS 396 Ca 0.23 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.51 3kpi h LYS 396 Cb -0.09 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.54 3kpi h LYS 396 CO -0.05 0.57 -0.11 -0.92 -2.27 0.00 0.00 179.45 176.67 3kpi h TYR 397 N 0.88 0.33 -0.28 1.91 3.20 -0.75 -2.54 116.97 119.72 3kpi h TYR 397 Ca 0.24 -0.10 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 3kpi h TYR 397 Cb -0.10 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.09 3kpi h TYR 397 CO -0.03 0.68 0.14 0.35 -1.64 0.00 0.00 178.16 177.66 3kpi h PHE 398 N -0.11 0.40 -0.99 -3.82 3.04 -0.66 -0.01 116.94 114.79 3kpi h PHE 398 Ca 0.02 -0.02 0.02 0.00 3.98 0.00 0.00 57.97 61.97 3kpi h PHE 398 Cb 0.62 -0.12 -0.05 0.00 2.56 0.00 0.00 35.95 38.95 3kpi h PHE 398 CO 0.08 0.36 0.65 0.82 -2.02 0.00 0.00 178.31 178.21 3kpi h ILE 399 N 0.32 1.23 -0.50 1.41 2.04 -1.37 -0.85 117.51 119.79 3kpi h ILE 399 Ca 0.10 -0.45 -0.11 0.00 1.00 0.00 0.00 64.86 65.39 3kpi h ILE 399 Cb 0.11 -0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 35.97 3kpi h ILE 399 CO -0.01 0.24 -0.12 -0.09 0.00 0.00 0.00 178.15 178.16 3kpi h ARG 400 N 1.32 0.94 -0.37 2.37 2.43 -0.98 -2.60 114.38 117.48 3kpi h ARG 400 Ca 0.37 -0.35 -0.11 0.00 -0.81 0.00 0.00 59.98 59.09 3kpi h ARG 400 Cb -0.11 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.36 3kpi h ARG 400 CO -0.09 1.01 -0.21 0.87 -1.51 0.00 0.00 179.97 180.04 3kpi h LYS 401 N 0.84 0.72 0.00 0.20 1.79 -0.43 -1.38 116.57 118.31 3kpi h LYS 401 Ca 0.13 -0.28 -0.01 0.00 -2.18 0.00 0.00 60.65 58.31 3kpi h LYS 401 Cb 0.67 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 31.27 3kpi h LYS 401 CO 0.05 0.87 -0.06 0.52 -1.08 0.00 0.00 179.45 179.75 3kpi h MET 402 N 0.64 0.00 0.14 3.15 2.86 -0.88 0.89 114.93 121.72 3kpi h MET 402 Ca 0.09 0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 57.39 3kpi h MET 402 Cb 0.70 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.35 3kpi h MET 402 CO 0.05 0.06 -1.79 0.87 1.06 0.00 0.00 176.91 177.16 3kpi h LYS 403 N 0.00 0.30 0.00 1.72 1.57 -1.10 -3.39 116.57 115.67 3kpi h LYS 403 Ca -0.00 -0.51 -0.06 0.00 -1.87 0.00 0.00 60.65 58.21 3kpi h LYS 403 Cb 0.41 0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 3kpi h LYS 403 CO 0.01 1.19 -0.84 0.52 -0.57 0.00 0.00 179.45 179.76 3kpi h MET 404 N 0.08 0.00 0.00 3.15 2.86 -0.95 -3.46 114.93 116.61 3kpi h MET 404 Ca -0.35 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.29 3kpi h MET 404 Cb 2.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.72 3kpi h MET 404 CO 0.14 0.15 0.00 0.41 1.06 0.00 0.00 176.91 178.67 3kpi n GLY 405 N 1.23 2.34 3.15 8.32 0.00 0.28 -5.07 105.19 115.43 3kpi n GLY 405 Ca -0.01 -1.85 -0.10 0.00 0.00 0.00 0.00 46.02 44.06 3kpi n GLY 405 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kpi s VAL 406 N -2.63 0.55 0.40 1.61 1.01 -1.26 -4.80 120.40 115.29 3kpi s VAL 406 Ca 0.00 -1.91 0.05 0.00 0.00 0.00 0.00 61.98 60.12 3kpi s VAL 406 Cb 0.00 -1.68 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 3kpi s VAL 406 CO 0.00 -0.87 0.17 -0.44 0.00 0.00 0.00 175.10 173.95 3kpi s SER 407 N -3.02 2.64 0.19 3.32 0.01 -1.26 -3.89 113.70 111.70 3kpi s SER 407 Ca 0.12 -1.72 -0.20 0.00 1.31 0.00 0.00 55.95 55.45 3kpi s SER 407 Cb 0.06 0.57 0.14 0.00 0.21 0.00 0.00 66.02 67.00 3kpi s SER 407 CO -0.05 -0.99 1.58 -0.33 0.41 0.00 0.00 173.24 173.86 3kpi h GLU 408 N 1.82 -0.13 0.00 12.44 4.39 -1.95 -0.22 114.58 130.93 3kpi h GLU 408 Ca -0.33 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.38 3kpi h GLU 408 Cb 1.27 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.95 3kpi h GLU 408 CO 0.52 -0.09 0.00 -0.35 -1.16 0.00 0.00 179.01 177.93 3kpi n PRO 409 N -5.44 0.03 -0.21 2.33 -0.04 -1.26 -3.62 135.00 126.79 3kpi n PRO 409 Ca 0.05 0.15 0.01 0.00 -0.04 0.00 0.00 63.50 63.67 3kpi n PRO 409 Cb 0.36 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.42 3kpi n PRO 409 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 3kpi h PHE 410 N 0.00 -0.10 -0.26 0.54 3.57 -1.44 -1.94 116.94 117.30 3kpi h PHE 410 Ca 0.00 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 3kpi h PHE 410 Cb 0.01 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 3kpi h PHE 410 CO 0.00 -0.20 0.14 0.10 -2.23 0.00 0.00 178.31 176.12 3kpi h TYR 411 N 0.09 0.34 0.00 0.41 -0.00 -1.82 0.46 116.97 116.45 3kpi h TYR 411 Ca 0.33 0.00 -0.12 0.00 0.00 0.00 0.00 58.73 58.94 3kpi h TYR 411 Cb 0.54 -0.11 -0.02 0.00 0.00 0.00 0.00 36.73 37.14 3kpi h TYR 411 CO -0.40 0.25 -0.57 0.93 -0.00 0.00 0.00 178.16 178.37 3kpi h GLU 412 N 0.36 0.00 -0.35 0.10 5.08 -1.66 -2.10 114.58 116.01 3kpi h GLU 412 Ca 0.09 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.28 3kpi h GLU 412 Cb 0.02 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 3kpi h GLU 412 CO -0.02 0.57 -0.45 0.87 -1.00 0.00 0.00 179.01 178.98 3kpi h LYS 413 N 0.00 0.91 -0.40 2.33 1.57 -0.36 -2.90 116.57 117.73 3kpi h LYS 413 Ca -0.01 -0.52 0.05 0.00 -1.87 0.00 0.00 60.65 58.30 3kpi h LYS 413 Cb 1.05 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.37 3kpi h LYS 413 CO 0.07 1.17 0.27 0.28 -0.57 0.00 0.00 179.45 180.68 3kpi h VAL 414 N 0.72 0.97 -0.13 0.50 2.07 0.08 -0.64 116.25 119.82 3kpi h VAL 414 Ca 0.04 -0.12 -0.08 0.00 0.82 0.00 0.00 66.70 67.36 3kpi h VAL 414 Cb 1.05 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 3kpi h VAL 414 CO 0.11 0.06 -0.24 0.25 0.02 0.00 0.00 177.57 177.77 3kpi h LEU 415 N 0.34 0.44 -0.03 2.57 5.85 -1.26 -2.89 115.31 120.32 3kpi h LEU 415 Ca 0.17 -0.55 0.00 0.00 0.84 0.00 0.00 57.88 58.35 3kpi h LEU 415 Cb 0.27 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.17 3kpi h LEU 415 CO -0.04 0.90 0.00 2.22 -0.34 0.00 0.00 178.44 181.18 3kpi n PHE 416 N -4.46 0.57 -0.00 1.25 1.16 -0.94 -3.41 117.46 111.63 3kpi n PHE 416 Ca -0.07 0.17 0.01 0.00 -1.87 0.00 0.00 57.45 55.70 3kpi n PHE 416 Cb 0.44 -0.78 -0.11 0.00 -1.61 0.00 0.00 39.48 37.42 3kpi n PHE 416 CO 0.00 0.00 0.00 1.17 -1.87 0.00 0.00 176.76 176.06 3kpi n LYS 417 N -1.97 0.64 -0.10 3.97 3.00 -0.29 -2.84 118.16 120.58 3kpi n LYS 417 Ca 0.06 0.06 -0.10 0.00 -0.00 0.00 0.00 58.31 58.33 3kpi n LYS 417 Cb 0.38 -1.68 -0.03 0.00 0.00 0.00 0.00 35.03 33.70 3kpi n LYS 417 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.40 177.92 3kpi h MET 418 N 0.00 0.48 0.00 1.64 2.86 -1.52 -3.39 114.93 114.99 3kpi h MET 418 Ca -0.20 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.33 3kpi h MET 418 Cb 1.54 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 33.14 3kpi h MET 418 CO 0.03 0.56 0.00 -1.33 1.06 0.00 0.00 176.91 177.23 3kpi n MET 419 N -4.66 -0.50 -3.52 1.72 2.81 -1.25 -4.58 117.12 107.13 3kpi n MET 419 Ca -0.02 0.00 -0.29 0.00 -1.81 0.00 0.00 57.70 55.58 3kpi n MET 419 Cb 0.19 0.00 -0.14 0.00 -0.71 0.00 0.00 33.22 32.56 3kpi n MET 419 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3kpi s GLY 420 N -2.42 0.51 0.05 3.03 0.00 -1.26 -4.88 107.32 102.34 3kpi s GLY 420 Ca 0.00 -1.17 -0.06 0.00 0.00 0.00 0.00 44.72 43.49 3kpi s GLY 420 CO 0.00 2.10 0.29 0.29 0.00 0.00 0.00 173.10 175.77 3kpi n ILE 421 N 5.08 0.00 0.13 0.90 -5.35 -0.37 -4.67 119.36 115.08 3kpi n ILE 421 Ca -0.03 -0.15 0.00 0.00 -0.27 0.00 0.00 62.75 62.30 3kpi n ILE 421 Cb 0.41 0.21 0.04 0.00 -1.74 0.00 0.00 39.64 38.57 3kpi n ILE 421 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 3kpi h THR 422 N 1.27 1.11 -0.18 7.28 2.02 -1.88 -3.27 112.91 119.26 3kpi h THR 422 Ca -0.07 -2.43 0.04 0.00 0.77 0.00 0.00 66.41 64.72 3kpi h THR 422 Cb 0.33 2.45 -0.04 0.00 -1.74 0.00 0.00 68.15 69.15 3kpi h THR 422 CO 0.10 0.60 -0.09 -0.09 0.37 0.00 0.00 175.52 176.41 3kpi h ARG 423 N 0.00 -0.08 -4.52 6.66 2.43 -1.92 0.61 114.38 117.56 3kpi h ARG 423 Ca -0.01 0.01 -0.71 0.00 -0.81 0.00 0.00 59.98 58.46 3kpi h ARG 423 Cb 1.40 0.02 -0.28 0.00 -0.42 0.00 0.00 29.97 30.69 3kpi h ARG 423 CO 0.08 -0.05 -0.51 -1.17 -1.51 0.00 0.00 179.97 176.81 3kpi s LEU 424 N -10.42 4.91 0.00 3.80 1.98 -1.23 -3.28 118.68 114.44 3kpi s LEU 424 Ca -0.14 -1.38 0.00 0.00 -2.89 0.00 0.00 54.13 49.73 3kpi s LEU 424 Cb 0.10 -1.96 0.00 0.00 0.66 0.00 0.00 46.19 45.00 3kpi s LEU 424 CO 0.68 -0.47 0.00 1.17 -1.89 0.00 0.00 176.35 175.84 3kpi n LYS 425 N 4.89 0.00 -3.38 1.98 3.00 -1.25 -1.24 118.16 122.16 3kpi n LYS 425 Ca -0.10 0.00 -0.19 0.00 -0.00 0.00 0.00 58.31 58.02 3kpi n LYS 425 Cb 0.44 0.00 0.07 0.00 0.00 0.00 0.00 35.03 35.54 3kpi n LYS 425 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 3kpi n GLU 426 N 0.00 -6.52 -0.90 1.64 0.00 -1.20 -5.08 120.64 108.58 3kpi n GLU 426 Ca 0.00 0.72 0.00 0.00 0.00 0.00 0.00 57.16 57.88 3kpi n GLU 426 Cb 0.00 -5.40 0.00 0.00 0.00 0.00 0.00 31.44 26.04 3kpi n GLU 426 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22