#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kke h ALA 51 N 0.00 0.27 -0.36 5.20 0.00 -2.05 -0.74 119.26 121.58 3kke h ALA 51 Ca 0.00 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 3kke h ALA 51 Cb 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3kke h ALA 51 CO 0.00 0.36 0.05 0.07 0.00 0.00 0.00 179.25 179.74 3kke h ARG 52 N 0.21 0.59 -0.49 0.00 -0.00 -2.05 -1.69 114.38 110.95 3kke h ARG 52 Ca -0.00 -0.16 -0.02 0.00 -0.00 0.00 0.00 59.98 59.80 3kke h ARG 52 Cb 0.99 -0.07 -0.02 0.00 -0.00 0.00 0.00 29.97 30.87 3kke h ARG 52 CO 0.08 0.67 0.24 0.00 -0.00 0.00 0.00 179.97 180.96 3kke h ALA 53 N 0.90 0.63 0.01 0.08 0.00 -2.01 -1.42 119.26 117.46 3kke h ALA 53 Ca 0.11 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.93 3kke h ALA 53 Cb 0.37 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 3kke h ALA 53 CO 0.01 0.20 -0.44 0.00 0.00 0.00 0.00 179.25 179.01 3kke h ARG 54 N 0.65 -0.58 0.00 0.00 -0.00 -1.10 -3.18 114.38 110.17 3kke h ARG 54 Ca 0.17 0.04 -0.06 0.00 -0.50 0.00 0.00 59.98 59.63 3kke h ARG 54 Cb 0.12 0.13 -0.01 0.00 0.00 0.00 0.00 29.97 30.21 3kke h ARG 54 CO -0.02 -0.39 -0.28 0.00 0.00 0.00 0.00 179.97 179.28 3kke h ALA 55 N -0.13 1.17 -0.59 0.04 0.00 -1.12 -2.78 119.26 115.85 3kke h ALA 55 Ca 0.04 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 3kke h ALA 55 Cb 0.67 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 3kke h ALA 55 CO -0.32 0.35 0.25 -0.07 0.00 0.00 0.00 179.25 179.46 3kke h LEU 56 N 0.00 0.77 -0.89 0.00 3.38 -1.24 -2.44 115.31 114.89 3kke h LEU 56 Ca -0.00 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 57.88 3kke h LEU 56 Cb 0.66 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 3kke h LEU 56 CO 0.04 0.69 0.59 0.03 0.09 0.00 0.00 178.44 179.87 3kke h ARG 57 N 0.84 1.18 0.00 1.13 3.08 -1.49 -2.38 114.38 116.74 3kke h ARG 57 Ca 0.20 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.18 3kke h ARG 57 Cb 0.15 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 29.93 3kke h ARG 57 CO -0.02 0.78 0.00 1.12 -1.07 0.00 0.00 179.97 180.78 3kke h HIS 58 N 1.21 0.00 -0.01 3.04 2.07 -1.57 -3.13 115.15 116.77 3kke h HIS 58 Ca 0.33 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.85 3kke h HIS 58 Cb -0.13 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.85 3kke h HIS 58 CO -0.01 0.00 -0.09 -1.13 -3.07 0.00 0.00 177.93 173.63 3kke n SER 59 N -2.66 0.78 -4.76 3.10 3.41 -0.91 -4.90 113.62 107.67 3kke n SER 59 Ca 0.03 -0.94 -0.39 0.00 -0.26 0.00 0.00 58.87 57.31 3kke n SER 59 Cb 0.39 -0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 64.29 3kke n SER 59 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3kke s ARG 60 N -2.28 4.57 0.00 4.33 1.81 -1.14 -4.94 118.95 121.30 3kke s ARG 60 Ca 0.33 1.71 0.21 0.00 -1.72 0.00 0.00 55.73 56.27 3kke s ARG 60 Cb 0.20 -3.07 0.96 0.00 -0.45 0.00 0.00 34.95 32.59 3kke s ARG 60 CO 0.43 0.18 1.66 -1.13 -0.68 0.00 0.00 175.30 175.75 3kke n SER 61 N 0.97 1.02 -2.28 0.23 3.41 -1.26 -4.92 113.62 110.79 3kke n SER 61 Ca -0.00 -1.56 -0.21 0.00 -0.26 0.00 0.00 58.87 56.85 3kke n SER 61 Cb 0.46 -0.06 -0.02 0.00 -0.26 0.00 0.00 64.21 64.33 3kke n SER 61 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kke n GLY 62 N 1.02 -0.12 2.88 5.00 0.00 -1.26 -4.94 105.19 107.76 3kke n GLY 62 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 3kke n GLY 62 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kke s THR 63 N -2.98 -0.02 0.04 2.61 2.01 -1.26 -0.62 115.64 115.41 3kke s THR 63 Ca 0.00 0.09 0.08 0.00 0.31 0.00 0.00 61.69 62.17 3kke s THR 63 Cb 0.00 -0.10 -0.03 0.00 0.01 0.00 0.00 72.50 72.38 3kke s THR 63 CO 0.00 0.04 -0.24 0.27 -0.69 0.00 0.00 174.62 174.00 3kke s ILE 64 N 0.48 2.34 0.10 1.82 -4.36 -0.28 -0.94 121.20 120.36 3kke s ILE 64 Ca -0.04 -1.30 -0.21 0.00 -0.26 0.00 0.00 60.65 58.84 3kke s ILE 64 Cb -0.05 -1.93 -0.07 0.00 1.25 0.00 0.00 42.46 41.66 3kke s ILE 64 CO -0.02 0.38 0.63 -0.83 0.24 0.00 0.00 174.94 175.34 3kke s GLY 65 N -1.25 2.75 -0.28 6.27 0.00 -0.31 -0.89 107.32 113.61 3kke s GLY 65 Ca 0.12 0.13 -0.01 0.00 0.00 0.00 0.00 44.72 44.97 3kke s GLY 65 CO 0.03 0.59 -0.04 -2.27 0.00 0.00 0.00 173.10 171.41 3kke s LEU 66 N -1.10 3.60 -0.27 0.66 2.96 0.70 -0.44 118.68 124.79 3kke s LEU 66 Ca 0.31 -1.19 -0.07 0.00 -0.22 0.00 0.00 54.13 52.96 3kke s LEU 66 Cb -0.21 -1.66 -0.01 0.00 0.50 0.00 0.00 46.19 44.81 3kke s LEU 66 CO 0.21 -0.21 0.06 -0.63 -1.32 0.00 0.00 176.35 174.46 3kke s ILE 67 N 1.24 4.05 0.15 6.68 -1.09 0.07 -1.43 121.20 130.87 3kke s ILE 67 Ca -0.05 -0.43 0.05 0.00 -2.23 0.00 0.00 60.65 58.00 3kke s ILE 67 Cb -0.19 -2.97 -0.04 0.00 -1.58 0.00 0.00 42.46 37.68 3kke s ILE 67 CO -0.03 0.24 -0.11 0.68 -1.23 0.00 0.00 174.94 174.49 3kke s VAL 68 N 1.55 1.26 0.20 2.92 -7.23 -0.69 -1.75 120.40 116.66 3kke s VAL 68 Ca 0.05 -1.98 -0.11 0.00 -1.81 0.00 0.00 61.98 58.12 3kke s VAL 68 Cb -0.16 -1.78 0.14 0.00 0.56 0.00 0.00 36.38 35.14 3kke s VAL 68 CO 0.02 -0.65 1.87 -0.65 -0.31 0.00 0.00 175.10 175.38 3kke h PRO 69 N 2.95 0.93 -1.82 4.82 0.11 -1.88 -3.40 132.00 133.71 3kke h PRO 69 Ca -0.37 -0.06 0.09 0.00 0.11 0.00 0.00 66.00 65.77 3kke h PRO 69 Cb 1.20 -0.21 -0.20 0.00 0.11 0.00 0.00 31.00 31.90 3kke h PRO 69 CO 0.60 0.61 0.51 0.34 -0.21 0.00 0.00 178.00 179.86 3kke s ASP 70 N -5.84 -0.38 0.10 -2.05 2.15 -1.26 -4.94 116.67 104.45 3kke s ASP 70 Ca -0.13 0.28 0.22 0.00 0.43 0.00 0.00 52.55 53.35 3kke s ASP 70 Cb 0.14 0.34 0.88 0.00 -0.30 0.00 0.00 42.92 43.98 3kke s ASP 70 CO 0.77 -0.45 1.68 1.33 -0.17 0.00 0.00 175.17 178.33 3kke n VAL 71 N 0.41 0.68 0.89 1.11 0.24 -1.26 -2.09 118.33 118.31 3kke n VAL 71 Ca -0.10 0.11 0.12 0.00 -2.04 0.00 0.00 64.34 62.43 3kke n VAL 71 Cb 0.59 -0.88 0.53 0.00 -1.47 0.00 0.00 33.84 32.62 3kke n VAL 71 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3kke n ASN 72 N -1.82 0.00 -4.72 -1.34 3.02 -1.26 -4.78 115.26 104.36 3kke n ASN 72 Ca 0.04 0.40 -0.38 0.00 -0.03 0.00 0.00 54.58 54.61 3kke n ASN 72 Cb 0.26 -0.46 0.05 0.00 -0.61 0.00 0.00 39.78 39.01 3kke n ASN 72 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3kke n ASN 73 N -1.46 2.29 -0.28 6.41 3.02 -0.89 -4.90 115.26 119.45 3kke n ASN 73 Ca 0.07 0.94 0.04 0.00 -0.03 0.00 0.00 54.58 55.60 3kke n ASN 73 Cb 0.27 -1.54 0.26 0.00 -0.61 0.00 0.00 39.78 38.16 3kke n ASN 73 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kke h ALA 74 N 1.22 1.54 0.00 5.41 0.00 -1.91 -2.26 119.26 123.26 3kke h ALA 74 Ca -0.50 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3kke h ALA 74 Cb 1.32 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3kke h ALA 74 CO 0.56 0.33 -0.21 1.33 0.00 0.00 0.00 179.25 181.26 3kke n VAL 75 N -4.48 0.27 0.19 0.00 0.24 -1.26 -4.41 118.33 108.87 3kke n VAL 75 Ca 0.13 -0.15 -0.14 0.00 -2.04 0.00 0.00 64.34 62.14 3kke n VAL 75 Cb 0.19 -0.33 -0.07 0.00 -1.47 0.00 0.00 33.84 32.16 3kke n VAL 75 CO 0.00 0.00 0.00 0.15 -2.14 0.00 0.00 176.83 174.84 3kke h PHE 76 N 0.00 -0.66 0.04 6.34 3.57 -1.72 -1.40 116.94 123.11 3kke h PHE 76 Ca 0.00 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.53 3kke h PHE 76 Cb 0.63 0.25 -0.05 0.00 2.79 0.00 0.00 35.95 39.57 3kke h PHE 76 CO 0.00 -0.37 -0.36 0.00 -2.23 0.00 0.00 178.31 175.35 3kke h ALA 77 N 0.09 -0.58 -0.47 2.41 0.00 -1.77 0.35 119.26 119.30 3kke h ALA 77 Ca -0.01 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 3kke h ALA 77 Cb 0.50 0.63 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 3kke h ALA 77 CO -0.03 -0.90 -0.17 -0.44 0.00 0.00 0.00 179.25 177.71 3kke h ASP 78 N -0.54 0.91 -0.01 0.00 3.32 -1.83 -1.71 116.42 116.56 3kke h ASP 78 Ca 0.05 -0.32 -0.00 0.00 0.02 0.00 0.00 57.03 56.78 3kke h ASP 78 Cb 0.61 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.91 3kke h ASP 78 CO -0.26 1.07 0.01 -0.03 -1.72 0.00 0.00 179.24 178.30 3kke h MET 79 N 0.80 0.01 -0.43 3.56 1.85 -0.79 -2.44 114.93 117.49 3kke h MET 79 Ca 0.12 -0.00 0.05 0.00 -0.61 0.00 0.00 59.70 59.26 3kke h MET 79 Cb 0.71 -0.00 -0.05 0.00 0.43 0.00 0.00 31.60 32.69 3kke h MET 79 CO 0.05 0.11 0.16 0.35 -0.40 0.00 0.00 176.91 177.18 3kke h PHE 80 N -0.09 0.28 -0.98 1.39 3.57 -0.26 -0.81 116.94 120.03 3kke h PHE 80 Ca 0.00 0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.65 3kke h PHE 80 Cb 0.10 -0.06 -0.08 0.00 2.79 0.00 0.00 35.95 38.70 3kke h PHE 80 CO -0.04 0.10 0.62 1.03 -2.23 0.00 0.00 178.31 177.79 3kke h SER 81 N 0.33 0.87 -0.12 0.41 0.87 -1.20 0.40 113.55 115.10 3kke h SER 81 Ca 0.20 0.05 -0.20 0.00 -1.23 0.00 0.00 61.79 60.61 3kke h SER 81 Cb 0.19 -0.12 0.01 0.00 -0.44 0.00 0.00 62.40 62.04 3kke h SER 81 CO -0.20 0.45 -0.71 1.23 -0.53 0.00 0.00 176.83 177.07 3kke h GLY 82 N 0.93 0.77 0.73 5.77 0.00 -0.90 -2.21 103.07 108.16 3kke h GLY 82 Ca 0.50 -1.11 0.04 0.00 0.00 0.00 0.00 47.33 46.75 3kke h GLY 82 CO -0.26 0.99 0.16 -2.08 0.00 0.00 0.00 176.54 175.34 3kke h VAL 83 N 0.38 0.93 -0.70 4.60 2.07 -0.50 -2.53 116.25 120.50 3kke h VAL 83 Ca -0.05 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 3kke h VAL 83 Cb 1.35 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 3kke h VAL 83 CO 0.15 0.06 0.37 -0.61 0.02 0.00 0.00 177.57 177.55 3kke h GLN 84 N 0.33 0.99 -0.17 1.57 4.15 -0.25 -1.19 115.11 120.54 3kke h GLN 84 Ca 0.17 -0.13 -0.13 0.00 0.77 0.00 0.00 58.65 59.33 3kke h GLN 84 Cb 0.12 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 27.61 3kke h GLN 84 CO -0.15 0.76 -0.47 0.00 -1.93 0.00 0.00 178.83 177.04 3kke h MET 85 N 0.97 0.42 0.18 1.69 -0.00 -1.30 -1.79 114.93 115.11 3kke h MET 85 Ca 0.24 -0.23 -0.01 0.00 -0.00 0.00 0.00 59.70 59.70 3kke h MET 85 Cb 0.07 0.01 0.00 0.00 -0.00 0.00 0.00 31.60 31.68 3kke h MET 85 CO -0.04 0.81 -0.09 0.00 -0.00 0.00 0.00 176.91 177.59 3kke h ALA 86 N 1.16 -0.25 -0.73 -3.00 0.00 -1.29 -2.53 119.26 112.62 3kke h ALA 86 Ca 0.02 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.82 3kke h ALA 86 Cb 0.95 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.78 3kke h ALA 86 CO 0.08 -0.47 0.41 0.00 0.00 0.00 0.00 179.25 179.27 3kke h ALA 87 N 0.15 0.99 -0.12 0.00 0.00 -1.22 -1.66 119.26 117.41 3kke h ALA 87 Ca -0.03 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 3kke h ALA 87 Cb 0.43 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3kke h ALA 87 CO 0.04 0.09 -0.37 0.77 0.00 0.00 0.00 179.25 179.79 3kke h SER 88 N 0.75 0.25 -0.17 0.00 0.02 -1.39 0.36 113.55 113.37 3kke h SER 88 Ca 0.33 -0.10 0.05 0.00 -0.84 0.00 0.00 61.79 61.23 3kke h SER 88 Cb 0.21 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 3kke h SER 88 CO -0.19 0.61 0.16 1.23 -1.14 0.00 0.00 176.83 177.49 3kke h GLY 89 N 1.15 0.00 -0.94 -3.77 0.00 -0.85 -2.68 103.07 95.97 3kke h GLY 89 Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 3kke h GLY 89 CO 0.06 0.00 -0.05 1.42 0.00 0.00 0.00 176.54 177.97 3kke n HIS 90 N -4.06 0.50 -3.94 5.60 8.25 -0.47 -4.97 115.22 116.12 3kke n HIS 90 Ca 0.01 -1.07 -0.26 0.00 -0.26 0.00 0.00 57.72 56.14 3kke n HIS 90 Cb 0.28 -0.26 -0.01 0.00 1.12 0.00 0.00 29.99 31.12 3kke n HIS 90 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3kke n SER 91 N -1.02 -1.18 -4.23 0.41 7.64 -0.66 -4.97 113.62 109.61 3kke n SER 91 Ca 0.20 -0.96 -0.29 0.00 1.01 0.00 0.00 58.87 58.83 3kke n SER 91 Cb 0.79 -3.25 -0.16 0.00 -1.01 0.00 0.00 64.21 60.58 3kke n SER 91 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3kke s THR 92 N -3.78 1.83 0.50 0.44 2.01 0.11 -4.92 115.64 111.84 3kke s THR 92 Ca 0.15 -0.95 -0.07 0.00 0.31 0.00 0.00 61.69 61.13 3kke s THR 92 Cb -0.08 -1.54 -0.04 0.00 0.01 0.00 0.00 72.50 70.85 3kke s THR 92 CO 0.88 0.51 0.83 -1.81 -0.69 0.00 0.00 174.62 174.34 3kke s ASP 93 N -0.21 6.28 -0.15 3.53 1.11 0.21 -3.73 116.67 123.71 3kke s ASP 93 Ca -0.00 1.03 -0.01 0.00 0.18 0.00 0.00 52.55 53.75 3kke s ASP 93 Cb -0.12 -2.29 -0.01 0.00 1.07 0.00 0.00 42.92 41.57 3kke s ASP 93 CO 0.02 -0.62 -0.12 -0.69 1.18 0.00 0.00 175.17 174.95 3kke s VAL 94 N -2.79 3.09 -0.23 -1.27 1.01 -1.26 -1.12 120.40 117.82 3kke s VAL 94 Ca 0.49 -0.64 -0.08 0.00 0.00 0.00 0.00 61.98 61.75 3kke s VAL 94 Cb -0.10 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 3kke s VAL 94 CO 0.45 0.51 0.10 -0.22 0.00 0.00 0.00 175.10 175.94 3kke s LEU 95 N 0.55 3.74 -0.06 3.92 0.20 -0.07 -4.97 118.68 121.99 3kke s LEU 95 Ca -0.08 -0.04 -0.08 0.00 0.69 0.00 0.00 54.13 54.62 3kke s LEU 95 Cb -0.15 -1.99 -0.04 0.00 -0.43 0.00 0.00 46.19 43.57 3kke s LEU 95 CO 0.04 0.05 0.22 -0.22 -0.29 0.00 0.00 176.35 176.14 3kke s LEU 96 N 1.15 4.40 0.23 -0.68 2.96 -1.26 -0.22 118.68 125.26 3kke s LEU 96 Ca 0.05 0.58 -0.21 0.00 -0.22 0.00 0.00 54.13 54.33 3kke s LEU 96 Cb -0.14 -2.32 0.06 0.00 0.50 0.00 0.00 46.19 44.29 3kke s LEU 96 CO 0.04 0.36 0.92 -0.83 -1.32 0.00 0.00 176.35 175.52 3kke s GLY 97 N -1.21 0.04 0.05 7.98 0.00 -0.51 -4.93 107.32 108.74 3kke s GLY 97 Ca 0.20 -0.29 -0.03 0.00 0.00 0.00 0.00 44.72 44.60 3kke s GLY 97 CO 0.09 0.77 0.04 1.20 0.00 0.00 0.00 173.10 175.19 3kke s GLN 98 N -2.74 0.64 0.10 2.90 -0.21 -1.26 -1.71 119.66 117.38 3kke s GLN 98 Ca 0.16 -1.06 0.04 0.00 0.02 0.00 0.00 55.36 54.53 3kke s GLN 98 Cb -0.03 0.24 -0.03 0.00 1.00 0.00 0.00 33.01 34.18 3kke s GLN 98 CO 0.06 -0.15 -0.12 0.96 -2.12 0.00 0.00 175.29 173.93 3kke s ILE 99 N -3.56 1.06 0.59 1.08 -4.36 -1.26 -4.99 121.20 109.75 3kke s ILE 99 Ca 0.03 -1.57 -0.00 0.00 -0.26 0.00 0.00 60.65 58.85 3kke s ILE 99 Cb 0.05 -1.32 0.04 0.00 1.25 0.00 0.00 42.46 42.49 3kke s ILE 99 CO -0.09 -0.45 0.83 -1.81 0.24 0.00 0.00 174.94 173.66 3kke s ASP 100 N -2.28 5.14 0.56 4.36 1.01 -1.26 -4.98 116.67 119.21 3kke s ASP 100 Ca 0.04 0.05 -0.20 0.00 0.71 0.00 0.00 52.55 53.16 3kke s ASP 100 Cb -0.05 -0.87 -0.06 0.00 1.01 0.00 0.00 42.92 42.95 3kke s ASP 100 CO 0.01 -1.27 0.97 0.00 0.21 0.00 0.00 175.17 175.09 3kke n ALA 101 N -2.47 0.18 -1.24 5.23 0.00 -1.26 -2.79 120.51 118.16 3kke n ALA 101 Ca 0.08 0.06 -0.31 0.00 0.00 0.00 0.00 53.44 53.27 3kke n ALA 101 Cb 0.60 -2.10 0.10 0.00 0.00 0.00 0.00 19.45 18.05 3kke n ALA 101 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3kke s PRO 102 N -2.56 2.07 0.30 0.00 0.04 -1.26 -1.96 135.00 131.63 3kke s PRO 102 Ca 0.72 1.12 0.26 0.00 0.04 0.00 0.00 61.00 63.14 3kke s PRO 102 Cb -0.45 -1.88 0.99 0.00 0.04 0.00 0.00 34.50 33.20 3kke s PRO 102 CO 0.50 -1.76 1.76 -1.00 0.04 0.00 0.00 177.00 176.54 3kke h PRO 103 N -1.21 0.00 -0.38 0.56 0.13 -2.00 -3.45 132.00 125.65 3kke h PRO 103 Ca -0.44 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.74 3kke h PRO 103 Cb 1.24 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.32 3kke h PRO 103 CO 0.52 0.00 0.09 -0.09 -0.23 0.00 0.00 178.00 178.29 3kke h ARG 104 N 0.00 0.22 -0.25 0.86 9.65 -1.80 -1.44 114.38 121.62 3kke h ARG 104 Ca 0.00 -0.01 -0.06 0.00 -1.10 0.00 0.00 59.98 58.80 3kke h ARG 104 Cb 0.48 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.00 3kke h ARG 104 CO 0.00 0.14 -0.13 0.78 2.80 0.00 0.00 179.97 183.57 3kke h GLY 105 N 0.22 0.45 0.87 2.80 0.00 -1.22 -0.23 103.07 105.97 3kke h GLY 105 Ca 0.18 -0.30 0.01 0.00 0.00 0.00 0.00 47.33 47.22 3kke h GLY 105 CO -0.22 0.28 -0.03 -0.84 0.00 0.00 0.00 176.54 175.73 3kke h THR 106 N 0.39 0.91 -0.42 4.70 2.02 -1.62 -1.28 112.91 117.61 3kke h THR 106 Ca 0.07 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.32 3kke h THR 106 Cb 0.46 0.91 -0.06 0.00 -1.74 0.00 0.00 68.15 67.72 3kke h THR 106 CO 0.03 0.00 0.08 1.56 0.37 0.00 0.00 175.52 177.55 3kke h GLN 107 N -0.04 0.20 -0.48 6.66 4.20 -0.85 0.26 115.11 125.06 3kke h GLN 107 Ca 0.03 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 3kke h GLN 107 Cb 0.08 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 3kke h GLN 107 CO -0.06 0.13 0.29 1.96 -0.67 0.00 0.00 178.83 180.48 3kke h GLN 108 N 0.21 0.65 -0.14 1.46 4.20 -0.71 -0.59 115.11 120.18 3kke h GLN 108 Ca 0.21 -0.06 -0.22 0.00 0.06 0.00 0.00 58.65 58.64 3kke h GLN 108 Cb 0.26 -0.14 0.01 0.00 0.30 0.00 0.00 27.48 27.91 3kke h GLN 108 CO -0.28 0.47 -0.77 -0.07 -0.67 0.00 0.00 178.83 177.51 3kke h LEU 109 N 0.64 0.92 -0.18 1.46 3.38 -1.05 -2.83 115.31 117.66 3kke h LEU 109 Ca 0.17 -0.64 0.03 0.00 0.09 0.00 0.00 57.88 57.53 3kke h LEU 109 Cb -0.02 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 3kke h LEU 109 CO -0.03 1.41 0.00 -1.28 0.09 0.00 0.00 178.44 178.63 3kke h SER 110 N 0.49 -0.06 -0.86 -0.43 0.87 -0.68 -2.62 113.55 110.26 3kke h SER 110 Ca -0.06 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.52 3kke h SER 110 Cb 1.40 0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 63.39 3kke h SER 110 CO 0.16 -0.01 0.44 0.03 -0.53 0.00 0.00 176.83 176.92 3kke h ARG 111 N 0.06 1.22 -0.94 2.24 3.08 -1.18 0.64 114.38 119.50 3kke h ARG 111 Ca 0.08 -0.16 0.14 0.00 0.07 0.00 0.00 59.98 60.11 3kke h ARG 111 Cb 0.10 -0.23 -0.09 0.00 0.08 0.00 0.00 29.97 29.83 3kke h ARG 111 CO -0.14 0.91 0.56 -0.07 -1.07 0.00 0.00 179.97 180.16 3kke h LEU 112 N 1.21 0.77 0.15 3.04 3.38 -1.20 -0.49 115.31 122.17 3kke h LEU 112 Ca 0.30 0.07 -0.32 0.00 0.09 0.00 0.00 57.88 58.01 3kke h LEU 112 Cb 0.07 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3kke h LEU 112 CO -0.04 0.37 -1.63 0.58 0.09 0.00 0.00 178.44 177.81 3kke h VAL 113 N 0.83 0.95 0.00 1.22 2.07 -1.36 0.22 116.25 120.18 3kke h VAL 113 Ca 0.49 -2.45 -0.10 0.00 0.82 0.00 0.00 66.70 65.46 3kke h VAL 113 Cb 0.59 2.72 -0.01 0.00 -1.52 0.00 0.00 31.29 33.07 3kke h VAL 113 CO -0.31 0.80 -0.47 0.77 0.02 0.00 0.00 177.57 178.38 3kke h SER 114 N -0.07 0.00 -0.09 0.57 4.64 -0.80 -2.14 113.55 115.66 3kke h SER 114 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 3kke h SER 114 Cb 1.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.04 3kke h SER 114 CO 0.12 0.47 0.00 -0.62 -0.87 0.00 0.00 176.83 175.93 3kke n GLU 115 N -3.57 1.32 -2.03 4.77 1.02 -0.20 -4.92 120.64 117.03 3kke n GLU 115 Ca -0.00 -0.48 -0.13 0.00 -0.02 0.00 0.00 57.16 56.52 3kke n GLU 115 Cb 0.57 -1.29 -0.02 0.00 -0.02 0.00 0.00 31.44 30.68 3kke n GLU 115 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kke n GLY 116 N 0.89 0.22 0.08 0.62 0.00 -0.81 -4.93 105.19 101.28 3kke n GLY 116 Ca 0.13 -0.36 -0.11 0.00 0.00 0.00 0.00 46.02 45.68 3kke n GLY 116 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3kke h ARG 117 N 0.00 0.10 -4.50 1.61 3.08 -0.82 -3.45 114.38 110.40 3kke h ARG 117 Ca -0.30 -0.17 -0.21 0.00 0.07 0.00 0.00 59.98 59.37 3kke h ARG 117 Cb 1.13 0.06 -0.17 0.00 0.08 0.00 0.00 29.97 31.08 3kke h ARG 117 CO 0.37 0.97 -0.70 0.14 -1.07 0.00 0.00 179.97 179.68 3kke s VAL 118 N -2.66 0.52 -0.11 2.04 -7.23 -0.63 -4.82 120.40 107.51 3kke s VAL 118 Ca -0.03 -1.60 0.15 0.00 -1.81 0.00 0.00 61.98 58.69 3kke s VAL 118 Cb 0.08 -1.25 -0.08 0.00 0.56 0.00 0.00 36.38 35.70 3kke s VAL 118 CO 0.84 -0.74 1.07 0.44 -0.31 0.00 0.00 175.10 176.40 3kke h ASP 119 N 3.54 0.00 -5.55 4.85 3.32 -1.36 -3.39 116.42 117.83 3kke h ASP 119 Ca -0.35 0.00 0.24 0.00 0.02 0.00 0.00 57.03 56.94 3kke h ASP 119 Cb 1.17 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.65 3kke h ASP 119 CO 0.57 0.60 0.67 -0.83 -1.72 0.00 0.00 179.24 178.52 3kke s GLY 120 N -4.68 -0.16 -0.03 2.75 0.00 -1.26 -4.76 107.32 99.18 3kke s GLY 120 Ca -0.00 0.12 0.03 0.00 0.00 0.00 0.00 44.72 44.87 3kke s GLY 120 CO 0.79 1.58 -0.12 0.14 0.00 0.00 0.00 173.10 175.49 3kke s VAL 121 N -2.53 0.99 -0.16 1.40 1.01 -0.43 -1.16 120.40 119.52 3kke s VAL 121 Ca 0.18 -0.49 -0.14 0.00 0.00 0.00 0.00 61.98 61.54 3kke s VAL 121 Cb 0.00 -0.86 -0.05 0.00 0.00 0.00 0.00 36.38 35.47 3kke s VAL 121 CO 0.01 0.30 0.29 -0.76 0.00 0.00 0.00 175.10 174.94 3kke s LEU 122 N 0.06 4.25 -0.04 3.92 1.43 0.42 -1.33 118.68 127.38 3kke s LEU 122 Ca -0.02 0.51 0.01 0.00 -1.03 0.00 0.00 54.13 53.60 3kke s LEU 122 Cb -0.09 -2.37 0.02 0.00 0.03 0.00 0.00 46.19 43.79 3kke s LEU 122 CO 0.01 0.11 -0.03 -0.22 0.23 0.00 0.00 176.35 176.44 3kke s LEU 123 N 0.41 1.30 -0.29 1.79 0.20 -0.64 -0.75 118.68 120.70 3kke s LEU 123 Ca 0.16 -0.10 -0.11 0.00 0.69 0.00 0.00 54.13 54.76 3kke s LEU 123 Cb -0.13 -0.39 -0.04 0.00 -0.43 0.00 0.00 46.19 45.19 3kke s LEU 123 CO 0.04 -0.06 0.21 -1.58 -0.29 0.00 0.00 176.35 174.66 3kke s GLN 124 N 0.92 3.89 0.02 1.98 0.74 -0.72 -0.45 119.66 126.03 3kke s GLN 124 Ca -0.11 -0.35 -0.36 0.00 0.05 0.00 0.00 55.36 54.59 3kke s GLN 124 Cb -0.14 -3.68 -0.15 0.00 1.10 0.00 0.00 33.01 30.14 3kke s GLN 124 CO -0.00 -0.23 1.56 -2.13 -0.55 0.00 0.00 175.29 173.95 3kke n ARG 125 N 5.08 1.60 -2.11 1.67 0.63 -1.26 -4.31 116.66 117.97 3kke n ARG 125 Ca -0.13 0.58 -0.36 0.00 -0.92 0.00 0.00 57.85 57.02 3kke n ARG 125 Cb 0.52 -2.30 0.02 0.00 0.45 0.00 0.00 32.46 31.15 3kke n ARG 125 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3kke s ARG 126 N 1.70 3.14 0.00 -0.14 0.52 -1.26 -4.87 118.95 118.03 3kke s ARG 126 Ca 0.86 1.75 0.21 0.00 -0.52 0.00 0.00 55.73 58.04 3kke s ARG 126 Cb -0.85 -1.97 0.95 0.00 0.52 0.00 0.00 34.95 33.59 3kke s ARG 126 CO 0.48 -1.06 1.69 -0.85 0.02 0.00 0.00 175.30 175.58 3kke n GLU 127 N -1.45 0.06 -0.53 3.54 0.28 -1.26 -1.38 120.64 119.90 3kke n GLU 127 Ca 0.13 0.12 0.08 0.00 -0.16 0.00 0.00 57.16 57.33 3kke n GLU 127 Cb 0.50 -1.50 0.30 0.00 1.43 0.00 0.00 31.44 32.17 3kke n GLU 127 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 3kke n ASP 128 N -1.46 4.33 -4.54 -1.84 5.75 -1.26 -4.55 116.55 112.98 3kke n ASP 128 Ca 0.06 -2.65 -0.40 0.00 -0.01 0.00 0.00 54.79 51.80 3kke n ASP 128 Cb 0.23 -0.53 -0.11 0.00 -1.03 0.00 0.00 41.12 39.69 3kke n ASP 128 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 3kke s PHE 129 N -2.19 3.23 1.00 2.11 0.40 -0.48 -5.08 117.98 116.96 3kke s PHE 129 Ca 0.44 -0.15 -0.15 0.00 -0.60 0.00 0.00 56.93 56.47 3kke s PHE 129 Cb 0.31 -2.46 0.19 0.00 0.51 0.00 0.00 43.02 41.58 3kke s PHE 129 CO 0.16 -0.32 1.16 0.16 0.70 0.00 0.00 175.22 177.08 3kke s ASP 130 N 1.73 2.75 0.31 1.36 1.47 -1.26 -4.81 116.67 118.22 3kke s ASP 130 Ca 0.06 0.78 0.00 0.00 1.18 0.00 0.00 52.55 54.58 3kke s ASP 130 Cb -0.17 -1.20 0.50 0.00 -0.34 0.00 0.00 42.92 41.72 3kke s ASP 130 CO 0.11 -3.01 1.92 0.44 0.68 0.00 0.00 175.17 175.31 3kke h ASP 131 N -1.82 0.77 -0.51 2.11 3.32 -1.98 -1.26 116.42 117.06 3kke h ASP 131 Ca -0.49 -0.07 0.03 0.00 0.02 0.00 0.00 57.03 56.52 3kke h ASP 131 Cb 1.31 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 40.62 3kke h ASP 131 CO 0.51 0.65 0.30 0.44 -1.72 0.00 0.00 179.24 179.42 3kke h ASP 132 N 0.86 0.47 -0.42 6.45 3.32 -1.99 -0.94 116.42 124.17 3kke h ASP 132 Ca 0.22 0.01 -0.13 0.00 0.02 0.00 0.00 57.03 57.14 3kke h ASP 132 Cb 0.07 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 3kke h ASP 132 CO -0.03 0.33 -0.25 0.24 -1.72 0.00 0.00 179.24 177.81 3kke h MET 133 N 0.59 0.94 -0.29 3.56 2.86 -1.80 -1.92 114.93 118.87 3kke h MET 133 Ca 0.21 -0.42 -0.17 0.00 -2.06 0.00 0.00 59.70 57.26 3kke h MET 133 Cb 0.04 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.67 3kke h MET 133 CO -0.10 1.08 -0.48 1.25 1.06 0.00 0.00 176.91 179.72 3kke h LEU 134 N 0.80 0.91 -0.81 1.22 5.85 -1.05 -2.65 115.31 119.59 3kke h LEU 134 Ca 0.10 -0.52 -0.07 0.00 0.84 0.00 0.00 57.88 58.23 3kke h LEU 134 Cb 0.82 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 3kke h LEU 134 CO 0.07 1.26 0.13 0.00 -0.34 0.00 0.00 178.44 179.56 3kke h ALA 135 N 0.68 1.02 -0.27 1.25 0.00 -1.14 -2.83 119.26 117.97 3kke h ALA 135 Ca 0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3kke h ALA 135 Cb 1.08 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3kke h ALA 135 CO 0.11 0.63 0.12 0.00 0.00 0.00 0.00 179.25 180.11 3kke h ALA 136 N 1.16 0.34 0.00 0.00 0.00 -1.11 -2.40 119.26 117.25 3kke h ALA 136 Ca 0.20 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 3kke h ALA 136 Cb 0.38 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3kke h ALA 136 CO 0.01 -0.08 -0.34 -0.39 0.00 0.00 0.00 179.25 178.45 3kke h VAL 137 N 0.29 0.85 0.00 0.00 -1.51 -1.42 -3.12 116.25 111.34 3kke h VAL 137 Ca 0.09 -1.37 0.00 0.00 -1.23 0.00 0.00 66.70 64.19 3kke h VAL 137 Cb 0.14 1.84 0.00 0.00 -2.13 0.00 0.00 31.29 31.14 3kke h VAL 137 CO -0.01 0.33 -0.49 -0.07 -1.23 0.00 0.00 177.57 176.10 3kke h LEU 138 N 0.00 0.00 -9.14 4.19 3.38 -1.28 -3.44 115.31 109.02 3kke h LEU 138 Ca -0.00 -0.08 -0.62 0.00 0.09 0.00 0.00 57.88 57.27 3kke h LEU 138 Cb 0.81 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.57 3kke h LEU 138 CO 0.04 0.04 1.21 1.21 0.09 0.00 0.00 178.44 181.03 3kke n GLU 139 N -2.47 2.04 -0.74 1.13 2.13 -0.92 -1.92 120.64 119.88 3kke n GLU 139 Ca 0.03 0.71 0.00 0.00 0.66 0.00 0.00 57.16 58.56 3kke n GLU 139 Cb 0.48 -2.72 0.00 0.00 0.27 0.00 0.00 31.44 29.47 3kke n GLU 139 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kke n GLY 140 N 4.91 0.66 3.40 8.31 0.00 -1.26 -5.03 105.19 116.18 3kke n GLY 140 Ca 0.26 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.95 3kke n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kke s VAL 141 N -2.22 3.24 -0.24 1.61 1.01 -0.81 -5.08 120.40 117.90 3kke s VAL 141 Ca 0.00 -0.60 -0.29 0.00 0.00 0.00 0.00 61.98 61.09 3kke s VAL 141 Cb 0.00 -2.37 -0.02 0.00 0.00 0.00 0.00 36.38 33.98 3kke s VAL 141 CO 0.00 0.52 1.63 -2.84 0.00 0.00 0.00 175.10 174.41 3kke s PRO 142 N 0.33 3.72 -0.11 2.72 0.02 -1.26 -4.94 135.00 135.48 3kke s PRO 142 Ca -0.09 1.60 -0.10 0.00 0.02 0.00 0.00 61.00 62.43 3kke s PRO 142 Cb -0.15 -4.06 0.03 0.00 0.02 0.00 0.00 34.50 30.34 3kke s PRO 142 CO 0.05 -1.38 0.30 0.00 -0.33 0.00 0.00 177.00 175.64 3kke s ALA 143 N 5.44 -0.74 -0.18 -1.55 0.00 -1.26 -1.32 121.76 122.14 3kke s ALA 143 Ca 0.72 0.87 -0.00 0.00 0.00 0.00 0.00 51.96 53.55 3kke s ALA 143 Cb -0.24 -0.51 0.01 0.00 0.00 0.00 0.00 23.12 22.38 3kke s ALA 143 CO 0.30 -0.15 -0.15 0.08 0.00 0.00 0.00 175.76 175.84 3kke s VAL 144 N 0.22 2.51 0.27 0.00 1.01 -0.45 -4.71 120.40 119.26 3kke s VAL 144 Ca -0.00 -0.79 -0.29 0.00 0.00 0.00 0.00 61.98 60.89 3kke s VAL 144 Cb -0.02 -2.08 -0.09 0.00 0.00 0.00 0.00 36.38 34.18 3kke s VAL 144 CO -0.00 0.50 1.10 0.42 0.00 0.00 0.00 175.10 177.12 3kke s THR 145 N 1.24 3.52 -0.11 3.92 -4.23 -0.32 -1.62 115.64 118.04 3kke s THR 145 Ca 0.03 1.51 0.03 0.00 -1.18 0.00 0.00 61.69 62.09 3kke s THR 145 Cb -0.14 -3.96 0.00 0.00 1.34 0.00 0.00 72.50 69.74 3kke s THR 145 CO -0.08 0.35 -0.23 -0.51 -0.54 0.00 0.00 174.62 173.62 3kke s ILE 146 N -1.07 2.01 -1.76 2.99 2.07 0.40 -0.96 121.20 124.87 3kke s ILE 146 Ca 0.45 -0.97 0.00 0.00 -1.41 0.00 0.00 60.65 58.71 3kke s ILE 146 Cb -0.32 -1.75 0.00 0.00 0.13 0.00 0.00 42.46 40.52 3kke s ILE 146 CO 0.40 0.55 0.00 -3.20 -1.91 0.00 0.00 174.94 170.78 3kke n ASN 147 N 3.72 -5.76 -3.61 4.50 5.15 -0.23 -4.18 115.26 114.84 3kke n ASN 147 Ca -0.19 0.03 -0.03 0.00 -0.60 0.00 0.00 54.58 53.78 3kke n ASN 147 Cb 0.52 -4.81 -0.02 0.00 -0.53 0.00 0.00 39.78 34.94 3kke n ASN 147 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3kke s SER 148 N -2.09 -0.08 0.02 1.20 1.04 -1.26 -4.71 113.70 107.81 3kke s SER 148 Ca 0.00 -0.01 -0.11 0.00 0.48 0.00 0.00 55.95 56.31 3kke s SER 148 Cb 0.00 0.09 0.01 0.00 0.10 0.00 0.00 66.02 66.22 3kke s SER 148 CO 0.00 -0.15 0.24 -0.13 0.98 0.00 0.00 173.24 174.17 3kke s ARG 149 N -2.27 0.67 -0.09 4.02 0.52 -1.26 -4.50 118.95 116.04 3kke s ARG 149 Ca 0.11 -0.44 0.04 0.00 -0.52 0.00 0.00 55.73 54.91 3kke s ARG 149 Cb -0.01 0.29 -0.00 0.00 0.52 0.00 0.00 34.95 35.75 3kke s ARG 149 CO -0.04 -0.19 -0.23 0.08 0.02 0.00 0.00 175.30 174.94 3kke s VAL 150 N -2.00 1.95 0.52 3.52 1.01 -1.26 -4.86 120.40 119.28 3kke s VAL 150 Ca -0.09 -0.97 -0.20 0.00 0.00 0.00 0.00 61.98 60.72 3kke s VAL 150 Cb -0.03 -1.69 -0.06 0.00 0.00 0.00 0.00 36.38 34.60 3kke s VAL 150 CO -0.00 0.54 1.14 -2.84 0.00 0.00 0.00 175.10 173.94 3kke s PRO 151 N 0.29 3.45 0.00 2.72 0.02 -1.26 -3.28 135.00 136.94 3kke s PRO 151 Ca -0.16 1.67 0.00 0.00 0.02 0.00 0.00 61.00 62.53 3kke s PRO 151 Cb -0.17 -2.11 0.00 0.00 0.02 0.00 0.00 34.50 32.24 3kke s PRO 151 CO 0.08 -0.78 0.00 0.41 -0.33 0.00 0.00 177.00 176.37 3kke n GLY 152 N 0.26 0.71 3.27 0.52 0.00 -1.26 -5.05 105.19 103.63 3kke n GLY 152 Ca 0.11 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.98 3kke n GLY 152 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3kke s ARG 153 N -0.66 1.18 -0.06 1.61 1.70 -1.20 -5.16 118.95 116.35 3kke s ARG 153 Ca 0.00 -1.57 0.04 0.00 -0.47 0.00 0.00 55.73 53.73 3kke s ARG 153 Cb 0.00 -0.41 -0.02 0.00 -0.57 0.00 0.00 34.95 33.95 3kke s ARG 153 CO 0.00 -0.10 -0.19 0.08 -1.08 0.00 0.00 175.30 174.01 3kke s VAL 154 N -3.55 2.65 0.00 4.99 1.01 -1.26 -4.86 120.40 119.37 3kke s VAL 154 Ca 0.25 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.37 3kke s VAL 154 Cb 0.06 -2.02 0.00 0.00 0.00 0.00 0.00 36.38 34.42 3kke s VAL 154 CO 0.05 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.33 3kke n GLY 155 N 2.73 0.56 3.49 4.51 0.00 -1.20 -4.81 105.19 110.46 3kke n GLY 155 Ca -0.17 -0.23 -0.14 0.00 0.00 0.00 0.00 46.02 45.48 3kke n GLY 155 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kke s SER 156 N 0.00 -0.57 -0.07 1.61 1.04 -0.25 -1.17 113.70 114.30 3kke s SER 156 Ca 0.00 0.34 -0.00 0.00 0.48 0.00 0.00 55.95 56.76 3kke s SER 156 Cb 0.00 0.52 0.03 0.00 0.10 0.00 0.00 66.02 66.67 3kke s SER 156 CO 0.00 -0.72 -0.03 -0.69 0.98 0.00 0.00 173.24 172.78 3kke s VAL 157 N -2.36 0.51 0.28 5.02 1.01 -0.13 -1.87 120.40 122.86 3kke s VAL 157 Ca -0.04 -0.02 0.07 0.00 0.00 0.00 0.00 61.98 61.99 3kke s VAL 157 Cb -0.01 -0.60 -0.06 0.00 0.00 0.00 0.00 36.38 35.72 3kke s VAL 157 CO -0.02 0.26 -0.08 0.27 0.00 0.00 0.00 175.10 175.54 3kke s ILE 158 N 1.52 1.77 0.58 2.22 -4.36 -0.93 -1.07 121.20 120.93 3kke s ILE 158 Ca -0.01 -2.15 -0.03 0.00 -0.26 0.00 0.00 60.65 58.19 3kke s ILE 158 Cb -0.13 -2.44 0.03 0.00 1.25 0.00 0.00 42.46 41.16 3kke s ILE 158 CO -0.03 -0.31 0.85 -0.76 0.24 0.00 0.00 174.94 174.93 3kke s LEU 159 N -3.46 3.21 -1.35 0.37 1.43 -1.26 -1.07 118.68 116.55 3kke s LEU 159 Ca 0.29 0.35 -0.14 0.00 -1.03 0.00 0.00 54.13 53.60 3kke s LEU 159 Cb 0.03 -3.15 0.09 0.00 0.03 0.00 0.00 46.19 43.18 3kke s LEU 159 CO 0.12 -1.17 1.92 -0.67 0.23 0.00 0.00 176.35 176.79 3kke n ASP 160 N -2.51 4.57 -0.02 2.29 -0.08 -1.20 -4.78 116.55 114.83 3kke n ASP 160 Ca 0.06 -2.93 -0.08 0.00 -1.51 0.00 0.00 54.79 50.33 3kke n ASP 160 Cb 0.59 -1.65 0.08 0.00 2.34 0.00 0.00 41.12 42.48 3kke n ASP 160 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 3kke h ASP 161 N 6.57 0.65 -0.30 1.67 3.45 -1.93 -2.13 116.42 124.40 3kke h ASP 161 Ca 0.47 -0.30 -0.02 0.00 0.43 0.00 0.00 57.03 57.61 3kke h ASP 161 Cb 0.74 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 39.31 3kke h ASP 161 CO 1.63 1.00 0.11 1.56 -1.57 0.00 0.00 179.24 181.97 3kke h GLN 162 N 0.50 0.46 -0.38 3.56 7.50 -1.86 -1.88 115.11 123.00 3kke h GLN 162 Ca 0.04 -0.09 -0.09 0.00 0.50 0.00 0.00 58.65 59.01 3kke h GLN 162 Cb 0.95 -0.07 -0.02 0.00 0.05 0.00 0.00 27.48 28.39 3kke h GLN 162 CO 0.09 0.48 -0.13 -0.22 -1.50 0.00 0.00 178.83 177.55 3kke h LYS 163 N 0.33 0.68 -0.55 1.46 3.64 -1.86 -1.52 116.57 118.76 3kke h LYS 163 Ca 0.10 -0.22 -0.05 0.00 -1.27 0.00 0.00 60.65 59.21 3kke h LYS 163 Cb 0.21 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 3kke h LYS 163 CO -0.01 0.78 0.14 0.78 -2.27 0.00 0.00 179.45 178.88 3kke h GLY 164 N 0.97 0.94 1.32 5.01 0.00 -1.18 -0.46 103.07 109.67 3kke h GLY 164 Ca 0.11 -0.58 -0.03 0.00 0.00 0.00 0.00 47.33 46.82 3kke h GLY 164 CO 0.04 0.54 0.25 -1.33 0.00 0.00 0.00 176.54 176.04 3kke h GLY 165 N 0.77 0.94 0.97 4.60 0.00 -1.11 -2.10 103.07 107.15 3kke h GLY 165 Ca 0.17 -0.47 -0.18 0.00 0.00 0.00 0.00 47.33 46.85 3kke h GLY 165 CO 0.00 0.45 -0.67 -1.33 0.00 0.00 0.00 176.54 174.99 3kke h GLY 166 N 0.97 0.64 1.12 4.60 0.00 -1.02 -2.39 103.07 106.99 3kke h GLY 166 Ca 0.21 -0.99 -0.02 0.00 0.00 0.00 0.00 47.33 46.54 3kke h GLY 166 CO -0.02 0.88 0.45 -2.22 0.00 0.00 0.00 176.54 175.63 3kke h ILE 167 N 0.19 1.24 -0.30 2.60 2.04 -1.01 0.16 117.51 122.43 3kke h ILE 167 Ca -0.06 -0.60 -0.02 0.00 1.00 0.00 0.00 64.86 65.18 3kke h ILE 167 Cb 1.33 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 3kke h ILE 167 CO 0.14 0.27 0.11 0.00 0.00 0.00 0.00 178.15 178.66 3kke h ALA 168 N 1.34 0.39 -0.37 1.87 0.00 -1.34 -2.43 119.26 118.72 3kke h ALA 168 Ca 0.29 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.91 3kke h ALA 168 Cb 0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3kke h ALA 168 CO -0.05 0.01 -0.39 1.15 0.00 0.00 0.00 179.25 179.97 3kke h THR 169 N 0.33 1.27 -0.08 0.00 2.02 -1.13 -3.11 112.91 112.21 3kke h THR 169 Ca 0.10 -1.56 -0.10 0.00 0.77 0.00 0.00 66.41 65.62 3kke h THR 169 Cb 0.21 1.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 3kke h THR 169 CO -0.01 0.52 -0.40 -0.08 0.37 0.00 0.00 175.52 175.93 3kke h GLU 170 N 0.73 0.17 -0.60 6.66 4.57 -0.67 -0.57 114.58 124.87 3kke h GLU 170 Ca 0.06 -0.08 0.01 0.00 -1.18 0.00 0.00 59.36 58.17 3kke h GLU 170 Cb 0.98 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.54 3kke h GLU 170 CO 0.10 0.55 0.39 1.25 -1.18 0.00 0.00 179.01 180.12 3kke h HIS 171 N 0.15 0.74 -0.50 0.92 2.76 -1.40 0.40 115.15 118.22 3kke h HIS 171 Ca 0.01 0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 58.10 3kke h HIS 171 Cb 0.77 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 29.47 3kke h HIS 171 CO 0.01 0.46 -0.08 -0.07 -1.30 0.00 0.00 177.93 176.95 3kke h LEU 172 N 0.80 0.90 -0.69 0.26 3.38 -1.31 -2.71 115.31 115.95 3kke h LEU 172 Ca 0.22 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 3kke h LEU 172 Cb -0.08 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.40 3kke h LEU 172 CO -0.05 1.01 0.20 0.40 0.09 0.00 0.00 178.44 180.08 3kke h ILE 173 N 0.82 1.26 -0.03 1.22 2.04 -0.82 -2.28 117.51 119.72 3kke h ILE 173 Ca 0.14 -0.91 -0.01 0.00 1.00 0.00 0.00 64.86 65.08 3kke h ILE 173 Cb 0.60 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 37.22 3kke h ILE 173 CO 0.04 0.35 -0.03 0.74 0.00 0.00 0.00 178.15 179.25 3kke h THR 174 N 1.01 1.04 -0.00 -0.27 2.02 -0.84 -2.65 112.91 113.23 3kke h THR 174 Ca 0.22 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.21 3kke h THR 174 Cb 0.33 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 3kke h THR 174 CO -0.00 0.06 -0.03 0.18 0.37 0.00 0.00 175.52 176.09 3kke n LEU 175 N -4.47 0.04 0.00 2.58 4.77 -1.01 -4.93 117.00 113.98 3kke n LEU 175 Ca -0.02 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 3kke n LEU 175 Cb 0.13 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 3kke n LEU 175 CO 0.35 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 3kke n GLY 176 N 1.44 0.91 3.73 -0.72 0.00 -1.00 -4.08 105.19 105.48 3kke n GLY 176 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 3kke n GLY 176 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kke s HIS 177 N -2.00 3.61 -0.10 1.61 3.76 -0.89 -4.71 115.29 116.57 3kke s HIS 177 Ca 0.00 1.59 0.09 0.00 -0.15 0.00 0.00 55.06 56.59 3kke s HIS 177 Cb 0.00 -3.26 -0.13 0.00 1.11 0.00 0.00 32.58 30.31 3kke s HIS 177 CO 0.00 -0.55 0.03 0.43 -0.85 0.00 0.00 174.74 173.80 3kke n SER 178 N 2.72 2.48 -4.09 1.40 7.64 -1.26 -4.34 113.62 118.17 3kke n SER 178 Ca 0.04 -0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.57 3kke n SER 178 Cb 0.47 0.71 -0.12 0.00 -1.01 0.00 0.00 64.21 64.26 3kke n SER 178 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3kke s ARG 179 N -2.25 1.96 -0.15 1.43 0.52 -1.26 -4.65 118.95 114.55 3kke s ARG 179 Ca -0.06 -1.97 0.02 0.00 -0.52 0.00 0.00 55.73 53.20 3kke s ARG 179 Cb 0.03 -3.51 0.01 0.00 0.52 0.00 0.00 34.95 32.01 3kke s ARG 179 CO 0.42 -1.06 -0.20 0.42 0.02 0.00 0.00 175.30 174.90 3kke s ILE 180 N 0.86 1.95 0.46 1.52 1.01 -1.26 -0.93 121.20 124.81 3kke s ILE 180 Ca 0.10 -0.90 0.01 0.00 0.00 0.00 0.00 60.65 59.87 3kke s ILE 180 Cb -0.22 -1.75 0.01 0.00 0.01 0.00 0.00 42.46 40.51 3kke s ILE 180 CO -0.05 0.53 0.67 0.00 0.00 0.00 0.00 174.94 176.09 3kke s ALA 181 N 1.04 3.87 -0.05 9.38 0.00 0.40 -4.96 121.76 131.45 3kke s ALA 181 Ca -0.02 -1.19 -0.02 0.00 0.00 0.00 0.00 51.96 50.73 3kke s ALA 181 Cb -0.14 -2.06 0.03 0.00 0.00 0.00 0.00 23.12 20.95 3kke s ALA 181 CO -0.06 -0.43 0.04 0.12 0.00 0.00 0.00 175.76 175.43 3kke s PHE 182 N -2.56 0.22 -0.44 0.00 2.19 0.07 -1.01 117.98 116.45 3kke s PHE 182 Ca 0.50 0.14 -0.09 0.00 0.33 0.00 0.00 56.93 57.81 3kke s PHE 182 Cb -0.10 -0.55 0.10 0.00 -1.31 0.00 0.00 43.02 41.16 3kke s PHE 182 CO 0.37 -0.22 0.30 0.42 1.83 0.00 0.00 175.22 177.92 3kke s ILE 183 N 2.04 4.23 0.89 3.12 1.01 0.14 -1.44 121.20 131.19 3kke s ILE 183 Ca 0.04 -1.58 -0.11 0.00 0.00 0.00 0.00 60.65 59.00 3kke s ILE 183 Cb -0.12 -3.68 0.17 0.00 0.01 0.00 0.00 42.46 38.84 3kke s ILE 183 CO -0.04 -0.63 1.22 -0.55 0.00 0.00 0.00 174.94 174.95 3kke s SER 184 N 2.38 3.53 0.00 3.58 0.15 0.22 -0.90 113.70 122.65 3kke s SER 184 Ca 0.04 0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.80 3kke s SER 184 Cb -0.24 -0.27 0.00 0.00 -1.71 0.00 0.00 66.02 63.79 3kke s SER 184 CO 0.01 -2.45 0.00 0.61 1.20 0.00 0.00 173.24 172.61 3kke n GLY 185 N -3.48 -1.73 3.80 9.45 0.00 -1.26 -2.15 105.19 109.81 3kke n GLY 185 Ca 0.15 -1.43 -0.31 0.00 0.00 0.00 0.00 46.02 44.43 3kke n GLY 185 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kke s THR 186 N 0.00 3.71 0.56 2.61 -4.23 -1.26 -1.30 115.64 115.73 3kke s THR 186 Ca 0.00 0.60 0.23 0.00 -1.18 0.00 0.00 61.69 61.35 3kke s THR 186 Cb 0.00 -3.22 0.31 0.00 1.34 0.00 0.00 72.50 70.94 3kke s THR 186 CO 0.00 -0.68 2.21 0.00 -0.54 0.00 0.00 174.62 175.61 3kke h ALA 187 N -0.65 1.75 -0.01 3.99 0.00 -1.90 -2.70 119.26 119.75 3kke h ALA 187 Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3kke h ALA 187 Cb 1.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3kke h ALA 187 CO 0.55 0.00 -0.56 0.44 0.00 0.00 0.00 179.25 179.68 3kke n ILE 188 N -4.18 0.00 -2.91 0.00 -5.35 -1.26 -4.83 119.36 100.84 3kke n ILE 188 Ca -0.03 -0.10 -0.42 0.00 -0.27 0.00 0.00 62.75 61.93 3kke n ILE 188 Cb 0.09 0.76 -0.04 0.00 -1.74 0.00 0.00 39.64 38.70 3kke n ILE 188 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 3kke s HIS 189 N -2.73 3.31 0.37 4.28 2.46 -1.02 -4.82 115.29 117.14 3kke s HIS 189 Ca 0.16 1.11 0.06 0.00 0.47 0.00 0.00 55.06 56.85 3kke s HIS 189 Cb 0.18 -3.03 0.71 0.00 -0.13 0.00 0.00 32.58 30.31 3kke s HIS 189 CO 0.66 -0.39 1.94 0.38 -2.47 0.00 0.00 174.74 174.86 3kke h ASP 190 N 7.70 0.45 -0.40 9.88 2.03 -1.88 -1.89 116.42 132.31 3kke h ASP 190 Ca -0.23 -0.06 -0.06 0.00 -0.73 0.00 0.00 57.03 55.94 3kke h ASP 190 Cb 1.10 -0.12 -0.02 0.00 -0.83 0.00 0.00 39.33 39.46 3kke h ASP 190 CO 0.86 0.47 0.03 0.74 -1.03 0.00 0.00 179.24 180.31 3kke h THR 191 N 0.49 1.23 -0.19 1.15 2.02 -1.92 0.55 112.91 116.25 3kke h THR 191 Ca 0.11 -0.93 -0.03 0.00 0.77 0.00 0.00 66.41 66.33 3kke h THR 191 Cb 0.21 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 3kke h THR 191 CO -0.00 0.33 -0.01 0.00 0.37 0.00 0.00 175.52 176.21 3kke h ALA 192 N 1.31 0.26 -0.66 6.16 0.00 -1.66 -2.40 119.26 122.26 3kke h ALA 192 Ca 0.15 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3kke h ALA 192 Cb 0.40 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3kke h ALA 192 CO 0.01 -0.01 0.43 1.96 0.00 0.00 0.00 179.25 181.64 3kke h GLN 193 N 0.09 0.88 -0.60 0.00 1.08 -1.17 0.07 115.11 115.46 3kke h GLN 193 Ca 0.05 -0.06 0.07 0.00 -1.45 0.00 0.00 58.65 57.26 3kke h GLN 193 Cb 0.42 -0.19 -0.06 0.00 -0.05 0.00 0.00 27.48 27.60 3kke h GLN 193 CO 0.01 0.59 0.29 0.00 -0.95 0.00 0.00 178.83 178.77 3kke h ARG 194 N 0.90 0.51 -0.36 1.46 3.08 -0.84 -0.41 114.38 118.72 3kke h ARG 194 Ca 0.24 -0.03 -0.12 0.00 0.07 0.00 0.00 59.98 60.14 3kke h ARG 194 Cb -0.08 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 3kke h ARG 194 CO -0.05 0.34 -0.24 0.00 -1.07 0.00 0.00 179.97 178.95 3kke h ARG 195 N 0.53 0.73 -0.46 0.04 3.08 -0.95 -2.26 114.38 115.10 3kke h ARG 195 Ca 0.28 -0.30 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 3kke h ARG 195 Cb 0.24 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 3kke h ARG 195 CO -0.22 0.90 0.19 -0.22 -1.07 0.00 0.00 179.97 179.56 3kke h LYS 196 N 0.64 0.68 -0.92 0.04 3.64 -0.41 -2.11 116.57 118.12 3kke h LYS 196 Ca 0.09 -0.12 0.04 0.00 -1.27 0.00 0.00 60.65 59.39 3kke h LYS 196 Cb 0.75 -0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 32.40 3kke h LYS 196 CO 0.06 0.61 0.59 0.93 -2.27 0.00 0.00 179.45 179.37 3kke h GLU 197 N 0.59 1.09 -0.72 1.90 5.08 -0.89 0.23 114.58 121.86 3kke h GLU 197 Ca 0.15 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 3kke h GLU 197 Cb 0.18 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 3kke h GLU 197 CO -0.01 0.72 0.42 0.78 -1.00 0.00 0.00 179.01 179.91 3kke h GLY 198 N 1.12 1.05 0.85 -3.84 0.00 -1.14 0.70 103.07 101.81 3kke h GLY 198 Ca 0.38 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 47.25 3kke h GLY 198 CO -0.14 0.44 -0.15 -1.82 0.00 0.00 0.00 176.54 174.87 3kke h TYR 199 N 0.98 -0.40 0.02 5.60 5.03 -0.76 -1.72 116.97 125.73 3kke h TYR 199 Ca 0.26 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.56 3kke h TYR 199 Cb -0.00 0.15 0.00 0.00 1.55 0.00 0.00 36.73 38.43 3kke h TYR 199 CO -0.01 -0.24 -0.01 -0.07 -1.32 0.00 0.00 178.16 176.52 3kke h LEU 200 N -0.35 -0.03 -0.74 2.82 3.38 -0.67 -1.24 115.31 118.47 3kke h LEU 200 Ca -0.00 -0.05 0.13 0.00 0.09 0.00 0.00 57.88 58.04 3kke h LEU 200 Cb 0.32 0.01 -0.09 0.00 0.09 0.00 0.00 40.66 40.99 3kke h LEU 200 CO -0.02 0.03 0.32 -0.33 0.09 0.00 0.00 178.44 178.53 3kke h GLU 201 N -0.09 0.48 -0.60 1.13 5.08 -0.93 0.18 114.58 119.84 3kke h GLU 201 Ca -0.00 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 3kke h GLU 201 Cb 0.08 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 3kke h GLU 201 CO 0.01 0.32 0.07 1.15 -1.00 0.00 0.00 179.01 179.55 3kke h THR 202 N 0.50 1.26 -0.35 1.13 2.02 -0.76 -1.03 112.91 115.67 3kke h THR 202 Ca 0.40 -1.04 -0.03 0.00 0.77 0.00 0.00 66.41 66.51 3kke h THR 202 Cb 0.55 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 3kke h THR 202 CO -0.36 0.38 0.12 -0.07 0.37 0.00 0.00 175.52 175.96 3kke h LEU 203 N 0.91 0.50 0.09 2.58 3.38 -0.85 -2.63 115.31 119.29 3kke h LEU 203 Ca 0.18 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.97 3kke h LEU 203 Cb 0.46 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3kke h LEU 203 CO 0.02 0.56 -0.12 0.00 0.09 0.00 0.00 178.44 178.98 3kke h ALA 204 N 0.96 -0.21 0.00 1.53 0.00 -0.68 -0.24 119.26 120.63 3kke h ALA 204 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3kke h ALA 204 Cb 0.23 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3kke h ALA 204 CO -0.01 -0.64 0.00 0.66 0.00 0.00 0.00 179.25 179.26 3kke h SER 205 N -0.25 0.00 -0.00 0.00 4.64 -1.22 -0.13 113.55 116.59 3kke h SER 205 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3kke h SER 205 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3kke h SER 205 CO -0.05 0.00 -0.01 0.00 -0.87 0.00 0.00 176.83 175.89 3kke n ALA 206 N -1.98 2.59 -1.47 5.18 0.00 -0.95 -4.92 120.51 118.96 3kke n ALA 206 Ca -0.01 -0.45 -0.09 0.00 0.00 0.00 0.00 53.44 52.89 3kke n ALA 206 Cb 0.17 -1.15 -0.03 0.00 0.00 0.00 0.00 19.45 18.44 3kke n ALA 206 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kke n GLY 207 N 1.19 0.81 3.95 0.00 0.00 -0.06 -5.02 105.19 106.06 3kke n GLY 207 Ca 0.19 -0.61 -0.24 0.00 0.00 0.00 0.00 46.02 45.36 3kke n GLY 207 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kke s LEU 208 N -2.14 4.27 0.10 0.99 1.43 -0.14 -5.03 118.68 118.16 3kke s LEU 208 Ca 0.00 0.21 0.04 0.00 -1.03 0.00 0.00 54.13 53.36 3kke s LEU 208 Cb 0.00 -2.99 -0.04 0.00 0.03 0.00 0.00 46.19 43.19 3kke s LEU 208 CO 0.00 -0.05 0.05 0.00 0.23 0.00 0.00 176.35 176.57 3kke s ARG 209 N -3.66 2.70 0.13 1.70 1.04 -1.26 -4.07 118.95 115.54 3kke s ARG 209 Ca 0.36 -0.80 0.10 0.00 -1.04 0.00 0.00 55.73 54.34 3kke s ARG 209 Cb -0.10 -2.61 -0.04 0.00 -2.04 0.00 0.00 34.95 30.16 3kke s ARG 209 CO 0.30 0.54 -0.19 0.45 -0.04 0.00 0.00 175.30 176.35 3kke s SER 210 N -2.48 3.79 0.19 -2.89 0.15 -1.26 -4.78 113.70 106.42 3kke s SER 210 Ca 0.28 -0.63 0.07 0.00 0.70 0.00 0.00 55.95 56.37 3kke s SER 210 Cb -0.12 -0.48 -0.04 0.00 -1.71 0.00 0.00 66.02 63.67 3kke s SER 210 CO 0.20 0.16 0.05 -1.61 1.20 0.00 0.00 173.24 173.25 3kke s GLU 211 N -2.27 2.56 0.32 5.44 2.02 -1.26 -5.03 118.70 120.48 3kke s GLU 211 Ca 0.18 -1.07 0.00 0.00 0.02 0.00 0.00 54.97 54.10 3kke s GLU 211 Cb -0.10 -2.43 0.53 0.00 0.10 0.00 0.00 34.13 32.23 3kke s GLU 211 CO 0.10 0.45 1.97 0.00 0.02 0.00 0.00 175.26 177.80 3kke h ALA 212 N 2.45 1.49 -0.97 5.21 0.00 -2.01 -1.86 119.26 123.57 3kke h ALA 212 Ca -0.47 -0.05 0.24 0.00 0.00 0.00 0.00 54.91 54.63 3kke h ALA 212 Cb 1.21 -0.29 -0.12 0.00 0.00 0.00 0.00 17.79 18.58 3kke h ALA 212 CO 0.60 0.45 0.53 0.00 0.00 0.00 0.00 179.25 180.83 3kke h ALA 213 N 1.52 1.68 -0.01 0.00 0.00 -1.99 -2.44 119.26 118.02 3kke h ALA 213 Ca 0.31 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.35 3kke h ALA 213 Cb -0.03 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3kke h ALA 213 CO -0.08 -0.28 0.00 0.91 0.00 0.00 0.00 179.25 179.80 3kke n TRP 214 N -4.93 0.00 -4.10 0.00 8.01 -0.70 -4.73 117.44 111.00 3kke n TRP 214 Ca 0.25 -0.00 -0.32 0.00 -1.31 0.00 0.00 57.50 56.12 3kke n TRP 214 Cb 0.71 0.00 -0.16 0.00 -2.01 0.00 0.00 31.31 29.85 3kke n TRP 214 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.69 176.76 3kke s VAL 215 N -2.00 2.04 -0.10 -0.99 1.01 -0.92 -0.75 120.40 118.69 3kke s VAL 215 Ca 0.44 -1.09 0.04 0.00 0.00 0.00 0.00 61.98 61.36 3kke s VAL 215 Cb 0.21 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.66 3kke s VAL 215 CO 0.35 0.38 -0.23 -0.69 0.00 0.00 0.00 175.10 174.91 3kke s VAL 216 N 1.26 2.01 0.03 2.92 1.01 -0.52 -4.96 120.40 122.15 3kke s VAL 216 Ca 0.01 -0.99 -0.30 0.00 0.00 0.00 0.00 61.98 60.70 3kke s VAL 216 Cb -0.15 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 3kke s VAL 216 CO -0.11 0.55 0.98 -1.81 0.00 0.00 0.00 175.10 174.71 3kke s ASP 217 N 0.35 7.39 0.00 3.32 1.01 -1.26 -0.61 116.67 126.87 3kke s ASP 217 Ca -0.19 1.71 0.00 0.00 0.71 0.00 0.00 52.55 54.78 3kke s ASP 217 Cb -0.18 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.18 3kke s ASP 217 CO 0.09 -0.22 0.00 0.00 0.21 0.00 0.00 175.17 175.25 3kke n ALA 218 N 3.61 1.12 0.00 5.23 0.00 -0.42 -4.88 120.51 125.17 3kke n ALA 218 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3kke n ALA 218 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 3kke n ALA 218 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kke n GLY 219 N 0.67 -1.82 0.14 0.00 0.00 -0.91 -4.05 105.19 99.22 3kke n GLY 219 Ca 0.00 -1.13 0.08 0.00 0.00 0.00 0.00 46.02 44.98 3kke n GLY 219 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3kke h TRP 220 N 0.00 0.00 -1.66 1.61 -0.00 -1.92 -3.38 115.95 110.61 3kke h TRP 220 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 58.89 58.46 3kke h TRP 220 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 29.16 29.19 3kke h TRP 220 CO 0.00 0.17 -0.17 -1.21 -0.00 0.00 0.00 178.44 177.23 3kke s GLU 221 N -3.19 2.66 0.18 0.49 0.41 -1.26 -0.78 118.70 117.21 3kke s GLU 221 Ca 0.02 -1.17 -0.09 0.00 -0.41 0.00 0.00 54.97 53.32 3kke s GLU 221 Cb 0.08 -2.66 0.08 0.00 -1.78 0.00 0.00 34.13 29.84 3kke s GLU 221 CO 0.76 -0.49 1.64 0.00 -0.49 0.00 0.00 175.26 176.68 3kke h ALA 222 N 0.40 0.84 -0.66 5.21 0.00 -1.86 -0.23 119.26 122.98 3kke h ALA 222 Ca -0.39 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.14 3kke h ALA 222 Cb 1.28 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 3kke h ALA 222 CO 0.46 0.67 0.16 0.38 0.00 0.00 0.00 179.25 180.92 3kke h ASP 223 N 0.97 0.97 -0.39 0.00 2.03 -1.92 0.20 116.42 118.29 3kke h ASP 223 Ca 0.17 -0.20 -0.16 0.00 -0.73 0.00 0.00 57.03 56.12 3kke h ASP 223 Cb 0.57 -0.26 -0.01 0.00 -0.83 0.00 0.00 39.33 38.81 3kke h ASP 223 CO 0.03 0.94 -0.38 0.00 -1.03 0.00 0.00 179.24 178.80 3kke h ALA 224 N 1.19 0.58 -0.66 4.15 0.00 -1.79 -1.53 119.26 121.20 3kke h ALA 224 Ca 0.21 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 3kke h ALA 224 Cb 0.34 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3kke h ALA 224 CO 0.00 0.68 0.39 0.78 0.00 0.00 0.00 179.25 181.10 3kke h GLY 225 N 0.78 0.96 0.91 0.00 0.00 -0.49 -1.60 103.07 103.63 3kke h GLY 225 Ca 0.06 -0.40 -0.06 0.00 0.00 0.00 0.00 47.33 46.93 3kke h GLY 225 CO 0.09 0.39 -0.03 1.76 0.00 0.00 0.00 176.54 178.75 3kke h SER 226 N 0.89 0.59 -0.40 0.19 0.02 -0.50 -1.76 113.55 112.58 3kke h SER 226 Ca 0.24 -0.33 -0.09 0.00 -0.84 0.00 0.00 61.79 60.77 3kke h SER 226 Cb -0.02 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 3kke h SER 226 CO -0.04 0.78 -0.05 0.00 -1.14 0.00 0.00 176.83 176.37 3kke h ALA 227 N 0.83 1.01 -0.43 3.77 0.00 -1.13 -1.60 119.26 121.70 3kke h ALA 227 Ca 0.09 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 54.56 3kke h ALA 227 Cb 0.50 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3kke h ALA 227 CO 0.02 0.60 -0.27 0.00 0.00 0.00 0.00 179.25 179.61 3kke h ALA 228 N 1.17 0.71 -0.28 0.00 0.00 -1.12 -1.36 119.26 118.38 3kke h ALA 228 Ca 0.14 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 3kke h ALA 228 Cb 0.54 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3kke h ALA 228 CO 0.03 0.67 0.01 1.25 0.00 0.00 0.00 179.25 181.21 3kke h LEU 229 N 0.79 0.47 -0.46 0.00 7.12 -1.12 -1.17 115.31 120.93 3kke h LEU 229 Ca 0.09 -0.30 0.08 0.00 0.13 0.00 0.00 57.88 57.88 3kke h LEU 229 Cb 0.83 -0.13 -0.07 0.00 -0.53 0.00 0.00 40.66 40.77 3kke h LEU 229 CO 0.07 0.65 0.07 0.78 -0.13 0.00 0.00 178.44 179.89 3kke h ASN 230 N 0.27 -0.03 -0.67 1.25 2.35 -1.18 0.32 115.58 117.89 3kke h ASN 230 Ca 0.08 0.09 0.02 0.00 -0.55 0.00 0.00 56.30 55.93 3kke h ASN 230 Cb 0.41 0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.86 3kke h ASN 230 CO 0.01 0.01 0.43 0.74 -1.65 0.00 0.00 177.43 176.98 3kke h THR 231 N 0.20 1.13 -0.33 2.81 2.02 -1.02 -0.40 112.91 117.32 3kke h THR 231 Ca 0.23 -0.30 -0.11 0.00 0.77 0.00 0.00 66.41 67.00 3kke h THR 231 Cb 0.30 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 3kke h THR 231 CO -0.31 0.16 -0.25 -0.07 0.37 0.00 0.00 175.52 175.41 3kke h LEU 232 N 0.86 0.68 0.60 2.58 3.38 -0.77 0.97 115.31 123.61 3kke h LEU 232 Ca 0.26 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3kke h LEU 232 Cb -0.04 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 40.53 3kke h LEU 232 CO -0.08 0.91 -0.29 0.22 0.09 0.00 0.00 178.44 179.29 3kke h TYR 233 N 0.58 -0.74 0.00 1.13 3.20 -0.82 0.62 116.97 120.94 3kke h TYR 233 Ca 0.08 -0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.78 3kke h TYR 233 Cb 0.74 0.25 -0.02 0.00 1.54 0.00 0.00 36.73 39.23 3kke h TYR 233 CO 0.03 -0.43 -0.72 0.00 -1.64 0.00 0.00 178.16 175.41 3kke h ARG 234 N -0.91 0.00 0.00 1.82 2.47 -1.08 -3.04 114.38 113.63 3kke h ARG 234 Ca -0.08 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.64 3kke h ARG 234 Cb 0.65 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.97 3kke h ARG 234 CO 0.13 0.72 -0.94 0.41 0.56 0.00 0.00 179.97 180.85 3kke n GLY 235 N 0.92 -0.16 0.01 0.04 0.00 0.33 -4.64 105.19 101.68 3kke n GLY 235 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.78 3kke n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kke n ALA 236 N -1.53 1.51 -2.72 4.61 0.00 0.07 -4.99 120.51 117.46 3kke n ALA 236 Ca -0.00 -0.77 -0.18 0.00 0.00 0.00 0.00 53.44 52.49 3kke n ALA 236 Cb 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.64 3kke n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3kke n ASN 237 N -0.26 -4.61 -4.65 0.00 3.02 -0.84 -4.23 115.26 103.69 3kke n ASN 237 Ca 0.00 -0.05 -0.50 0.00 -0.03 0.00 0.00 54.58 54.01 3kke n ASN 237 Cb 0.38 -3.84 -0.05 0.00 -0.61 0.00 0.00 39.78 35.66 3kke n ASN 237 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 3kke n LEU 238 N -3.25 2.59 0.00 3.41 -0.00 -0.38 -1.51 117.00 117.86 3kke n LEU 238 Ca -0.13 1.08 0.00 0.00 -0.00 0.00 0.00 56.01 56.96 3kke n LEU 238 Cb 0.61 -1.31 0.00 0.00 -0.00 0.00 0.00 43.42 42.72 3kke n LEU 238 CO 0.31 -0.52 0.00 0.61 -0.00 0.00 0.00 177.39 177.79 3kke n GLY 239 N 3.35 0.62 3.60 -3.96 0.00 -0.44 -4.54 105.19 103.82 3kke n GLY 239 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 3kke n GLY 239 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kke s LYS 240 N -0.16 1.92 0.36 1.61 1.02 -0.57 -4.86 119.74 119.07 3kke s LYS 240 Ca 0.00 -2.09 0.08 0.00 0.02 0.00 0.00 55.97 53.98 3kke s LYS 240 Cb 0.00 -1.50 0.80 0.00 -0.52 0.00 0.00 37.83 36.62 3kke s LYS 240 CO 0.00 -0.09 1.92 -1.35 -0.92 0.00 0.00 175.35 174.90 3kke h PRO 241 N 1.81 0.68 0.00 -1.68 0.11 -1.96 -2.02 132.00 128.94 3kke h PRO 241 Ca -0.43 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.54 3kke h PRO 241 Cb 1.24 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3kke h PRO 241 CO 0.79 0.45 -0.47 -0.44 -0.21 0.00 0.00 178.00 178.12 3kke h ASP 242 N 0.70 0.00 -3.33 -2.05 5.19 -1.95 -3.49 116.42 111.48 3kke h ASP 242 Ca 0.38 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.79 3kke h ASP 242 Cb 0.51 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.02 3kke h ASP 242 CO -0.15 0.47 0.00 0.61 -3.12 0.00 0.00 179.24 177.05 3kke n GLY 243 N 0.82 2.96 3.72 2.75 0.00 -0.76 -5.04 105.19 109.64 3kke n GLY 243 Ca 0.01 -2.14 -0.40 0.00 0.00 0.00 0.00 46.02 43.49 3kke n GLY 243 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kke n PRO 244 N -0.54 1.82 -0.00 1.61 -0.02 -1.26 -4.74 135.00 131.87 3kke n PRO 244 Ca 0.00 0.66 0.07 0.00 -2.02 0.00 0.00 63.50 62.21 3kke n PRO 244 Cb 0.00 -2.46 -0.09 0.00 -0.02 0.00 0.00 33.50 30.93 3kke n PRO 244 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3kke n THR 245 N -0.59 0.00 -4.00 3.45 -2.24 -0.11 -1.33 114.28 109.47 3kke n THR 245 Ca 0.08 -0.16 -0.08 0.00 -2.27 0.00 0.00 64.05 61.63 3kke n THR 245 Cb 0.42 0.94 -0.09 0.00 -2.10 0.00 0.00 70.33 69.49 3kke n THR 245 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kke s ALA 246 N -2.50 0.20 -0.02 6.98 0.00 -1.17 -2.01 121.76 123.25 3kke s ALA 246 Ca 0.05 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.12 3kke s ALA 246 Cb 0.11 0.29 0.03 0.00 0.00 0.00 0.00 23.12 23.55 3kke s ALA 246 CO 0.63 -0.36 0.02 0.54 0.00 0.00 0.00 175.76 176.59 3kke s VAL 247 N -3.36 0.01 -0.16 0.00 0.11 -0.36 -0.45 120.40 116.18 3kke s VAL 247 Ca 0.02 0.16 -0.15 0.00 -2.93 0.00 0.00 61.98 59.08 3kke s VAL 247 Cb 0.04 -0.13 -0.04 0.00 -1.53 0.00 0.00 36.38 34.72 3kke s VAL 247 CO -0.08 0.10 0.36 -0.69 -3.33 0.00 0.00 175.10 171.46 3kke s VAL 248 N 0.97 5.25 -0.19 2.04 1.01 -0.18 -1.94 120.40 127.36 3kke s VAL 248 Ca -0.09 0.68 -0.02 0.00 0.00 0.00 0.00 61.98 62.55 3kke s VAL 248 Cb -0.12 -3.70 -0.00 0.00 0.00 0.00 0.00 36.38 32.56 3kke s VAL 248 CO -0.02 0.34 -0.11 -0.69 0.00 0.00 0.00 175.10 174.62 3kke s VAL 249 N 0.74 2.90 0.48 2.92 1.01 -0.01 -0.68 120.40 127.75 3kke s VAL 249 Ca 0.19 -0.66 0.23 0.00 0.00 0.00 0.00 61.98 61.74 3kke s VAL 249 Cb -0.14 -2.28 0.27 0.00 0.00 0.00 0.00 36.38 34.23 3kke s VAL 249 CO 0.06 0.48 2.10 0.00 0.00 0.00 0.00 175.10 177.74 3kke h ALA 250 N 7.81 1.54 -2.63 5.51 0.00 -1.32 -1.83 119.26 128.34 3kke h ALA 250 Ca -0.40 -0.09 -0.19 0.00 0.00 0.00 0.00 54.91 54.23 3kke h ALA 250 Cb 1.16 -0.02 -0.18 0.00 0.00 0.00 0.00 17.79 18.76 3kke h ALA 250 CO 0.60 0.13 -0.70 0.45 0.00 0.00 0.00 179.25 179.73 3kke s SER 251 N -6.51 0.67 0.23 0.00 0.15 -1.26 -4.33 113.70 102.65 3kke s SER 251 Ca -0.04 -0.77 -0.01 0.00 0.70 0.00 0.00 55.95 55.82 3kke s SER 251 Cb 0.15 0.11 0.24 0.00 -1.71 0.00 0.00 66.02 64.81 3kke s SER 251 CO 0.62 -0.40 1.61 1.62 1.20 0.00 0.00 173.24 177.89 3kke h VAL 252 N 3.79 1.29 -0.52 4.45 3.04 -1.47 -1.72 116.25 125.10 3kke h VAL 252 Ca -0.34 -1.50 -0.08 0.00 -1.01 0.00 0.00 66.70 63.76 3kke h VAL 252 Cb 1.18 1.49 -0.02 0.00 -2.01 0.00 0.00 31.29 31.93 3kke h VAL 252 CO 0.54 0.48 0.00 0.78 -1.01 0.00 0.00 177.57 178.36 3kke h ASN 253 N 0.48 0.90 -0.95 3.17 2.35 -1.89 0.18 115.58 119.82 3kke h ASN 253 Ca 0.05 -0.30 0.06 0.00 -0.55 0.00 0.00 56.30 55.56 3kke h ASN 253 Cb 0.85 -0.24 -0.06 0.00 0.05 0.00 0.00 38.32 38.92 3kke h ASN 253 CO 0.07 0.98 0.62 0.00 -1.65 0.00 0.00 177.43 177.46 3kke h ALA 254 N 0.95 1.45 -0.72 -0.83 0.00 -0.66 -1.33 119.26 118.12 3kke h ALA 254 Ca 0.15 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3kke h ALA 254 Cb 0.52 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3kke h ALA 254 CO 0.03 0.41 0.41 0.00 0.00 0.00 0.00 179.25 180.10 3kke h ALA 255 N 1.48 0.93 -0.71 0.00 0.00 -0.60 -0.29 119.26 120.07 3kke h ALA 255 Ca 0.41 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 3kke h ALA 255 Cb 0.16 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3kke h ALA 255 CO -0.15 0.42 0.25 0.28 0.00 0.00 0.00 179.25 180.05 3kke h VAL 256 N 0.99 1.25 -0.54 0.00 2.07 -0.19 -1.40 116.25 118.44 3kke h VAL 256 Ca 0.26 -0.84 -0.04 0.00 0.82 0.00 0.00 66.70 66.89 3kke h VAL 256 Cb 0.01 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 3kke h VAL 256 CO -0.04 0.33 0.17 1.23 0.02 0.00 0.00 177.57 179.28 3kke h GLY 257 N 1.04 0.89 0.57 2.17 0.00 -0.83 -2.48 103.07 104.42 3kke h GLY 257 Ca 0.23 -0.52 0.06 0.00 0.00 0.00 0.00 47.33 47.10 3kke h GLY 257 CO -0.01 0.49 0.09 0.00 0.00 0.00 0.00 176.54 177.11 3kke h ALA 258 N 1.03 0.42 -0.06 3.60 0.00 -0.80 -1.09 119.26 122.38 3kke h ALA 258 Ca 0.17 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3kke h ALA 258 Cb 0.27 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3kke h ALA 258 CO -0.01 -0.31 0.03 1.25 0.00 0.00 0.00 179.25 180.22 3kke h LEU 259 N 0.23 0.05 -0.61 0.00 5.85 -1.23 0.17 115.31 119.77 3kke h LEU 259 Ca 0.18 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.86 3kke h LEU 259 Cb 0.20 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 3kke h LEU 259 CO -0.22 0.04 0.22 0.28 -0.34 0.00 0.00 178.44 178.41 3kke h SER 260 N 0.07 0.85 -0.46 1.25 0.02 -1.34 -0.66 113.55 113.29 3kke h SER 260 Ca 0.02 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 60.77 3kke h SER 260 Cb 0.00 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.30 3kke h SER 260 CO -0.02 0.81 0.23 0.74 -1.14 0.00 0.00 176.83 177.45 3kke h THR 261 N 0.85 1.18 -0.48 -2.27 2.02 -0.92 -1.24 112.91 112.05 3kke h THR 261 Ca 0.20 -0.49 0.05 0.00 0.77 0.00 0.00 66.41 66.94 3kke h THR 261 Cb 0.24 0.66 -0.04 0.00 -1.74 0.00 0.00 68.15 67.26 3kke h THR 261 CO -0.01 0.19 0.23 0.00 0.37 0.00 0.00 175.52 176.30 3kke h ALA 262 N 1.08 0.61 -0.60 6.16 0.00 -0.04 -0.66 119.26 125.80 3kke h ALA 262 Ca 0.16 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 3kke h ALA 262 Cb 0.10 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3kke h ALA 262 CO -0.02 -0.13 0.09 -0.07 0.00 0.00 0.00 179.25 179.12 3kke h LEU 263 N 0.45 0.94 -1.04 0.00 3.38 -1.01 -1.07 115.31 116.96 3kke h LEU 263 Ca 0.21 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 3kke h LEU 263 Cb 0.14 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3kke h LEU 263 CO -0.16 0.94 -0.39 -0.09 0.09 0.00 0.00 178.44 178.83 3kke h ARG 264 N 0.93 0.18 0.00 1.13 2.43 -0.68 -2.46 114.38 115.90 3kke h ARG 264 Ca 0.19 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3kke h ARG 264 Cb 0.41 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 3kke h ARG 264 CO 0.01 0.55 0.00 1.28 -1.51 0.00 0.00 179.97 180.30 3kke n LEU 265 N -4.05 0.00 0.00 3.80 4.77 -0.30 -4.91 117.00 116.31 3kke n LEU 265 Ca -0.01 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 3kke n LEU 265 Cb 0.45 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3kke n LEU 265 CO 0.41 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 3kke n GLY 266 N 1.13 0.92 3.76 -0.72 0.00 -0.93 -5.06 105.19 104.30 3kke n GLY 266 Ca 0.08 -0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 3kke n GLY 266 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kke s LEU 267 N 0.00 4.51 -0.04 0.99 1.43 -0.42 -5.00 118.68 120.15 3kke s LEU 267 Ca 0.00 2.39 -0.19 0.00 -1.03 0.00 0.00 54.13 55.29 3kke s LEU 267 Cb 0.00 -3.63 -0.05 0.00 0.03 0.00 0.00 46.19 42.54 3kke s LEU 267 CO 0.00 -0.27 0.55 -0.13 0.23 0.00 0.00 176.35 176.73 3kke s ARG 268 N -1.47 4.30 -0.15 1.70 0.52 -1.26 -4.23 118.95 118.36 3kke s ARG 268 Ca 0.46 0.63 0.01 0.00 -0.52 0.00 0.00 55.73 56.31 3kke s ARG 268 Cb -0.34 -3.37 0.00 0.00 0.52 0.00 0.00 34.95 31.76 3kke s ARG 268 CO 0.44 0.31 -0.18 0.08 0.02 0.00 0.00 175.30 175.97 3kke s VAL 269 N 0.06 2.42 -2.06 3.52 1.01 -1.26 -0.65 120.40 123.44 3kke s VAL 269 Ca 0.29 -0.86 0.27 0.00 0.00 0.00 0.00 61.98 61.69 3kke s VAL 269 Cb -0.17 -2.00 0.42 0.00 0.00 0.00 0.00 36.38 34.63 3kke s VAL 269 CO 0.15 0.53 1.68 -0.81 0.00 0.00 0.00 175.10 176.65 3kke n PRO 270 N 4.02 1.17 0.04 2.72 -0.04 -1.26 -4.89 135.00 136.76 3kke n PRO 270 Ca -0.19 -0.66 -0.11 0.00 -0.04 0.00 0.00 63.50 62.50 3kke n PRO 270 Cb 0.52 -1.49 -0.06 0.00 -0.04 0.00 0.00 33.50 32.44 3kke n PRO 270 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3kke h GLU 271 N 1.60 -0.09 0.00 0.54 3.07 -1.89 -2.72 114.58 115.10 3kke h GLU 271 Ca 0.00 0.01 -0.17 0.00 -0.50 0.00 0.00 59.36 58.70 3kke h GLU 271 Cb 0.48 0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.38 3kke h GLU 271 CO 0.00 -0.06 -1.11 -0.44 -1.40 0.00 0.00 179.01 176.00 3kke h ASP 272 N -0.09 0.00 -2.76 1.42 3.45 -1.24 -3.35 116.42 113.85 3kke h ASP 272 Ca 0.03 0.00 -0.10 0.00 0.43 0.00 0.00 57.03 57.39 3kke h ASP 272 Cb 0.13 0.00 -0.27 0.00 -0.56 0.00 0.00 39.33 38.63 3kke h ASP 272 CO -0.07 0.64 -0.33 -0.22 -1.57 0.00 0.00 179.24 177.69 3kke s LEU 273 N -6.13 -0.47 0.11 1.55 2.96 -1.03 -4.44 118.68 111.23 3kke s LEU 273 Ca -0.00 0.98 -0.16 0.00 -0.22 0.00 0.00 54.13 54.72 3kke s LEU 273 Cb 0.08 1.39 -0.07 0.00 0.50 0.00 0.00 46.19 48.10 3kke s LEU 273 CO 0.79 -0.22 0.55 -0.44 -1.32 0.00 0.00 176.35 175.71 3kke s SER 274 N 2.18 6.91 -0.05 3.68 0.01 -0.85 -4.31 113.70 121.27 3kke s SER 274 Ca -0.05 1.14 0.01 0.00 1.31 0.00 0.00 55.95 58.36 3kke s SER 274 Cb -0.11 -2.31 0.02 0.00 0.21 0.00 0.00 66.02 63.83 3kke s SER 274 CO -0.13 0.18 -0.04 -0.63 0.41 0.00 0.00 173.24 173.04 3kke s ILE 275 N -1.30 0.51 -0.09 1.44 1.01 0.59 -1.23 121.20 122.13 3kke s ILE 275 Ca 0.33 -0.09 0.03 0.00 0.00 0.00 0.00 60.65 60.93 3kke s ILE 275 Cb -0.17 -0.56 0.01 0.00 0.01 0.00 0.00 42.46 41.75 3kke s ILE 275 CO 0.19 0.23 -0.18 -0.69 0.00 0.00 0.00 174.94 174.48 3kke s VAL 276 N 1.07 1.61 0.16 2.92 1.01 -0.82 -4.20 120.40 122.15 3kke s VAL 276 Ca -0.09 -0.75 0.06 0.00 0.00 0.00 0.00 61.98 61.20 3kke s VAL 276 Cb -0.14 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 3kke s VAL 276 CO -0.01 0.46 0.09 -0.83 0.00 0.00 0.00 175.10 174.82 3kke s GLY 277 N 0.56 1.73 -0.13 4.51 0.00 -0.74 -0.83 107.32 112.43 3kke s GLY 277 Ca -0.15 -1.25 -0.05 0.00 0.00 0.00 0.00 44.72 43.27 3kke s GLY 277 CO 0.05 -1.26 0.06 -0.42 0.00 0.00 0.00 173.10 171.54 3kke s ILE 278 N -1.72 4.79 0.18 0.90 1.01 -0.69 -1.11 121.20 124.56 3kke s ILE 278 Ca 0.30 -0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.90 3kke s ILE 278 Cb -0.10 -3.09 0.00 0.00 0.01 0.00 0.00 42.46 39.28 3kke s ILE 278 CO 0.22 0.56 0.00 0.59 0.00 0.00 0.00 174.94 176.31 3kke n ASN 279 N 2.60 -2.31 -3.94 3.58 3.02 0.13 -1.42 115.26 116.91 3kke n ASN 279 Ca -0.18 0.45 -0.12 0.00 -0.03 0.00 0.00 54.58 54.69 3kke n ASN 279 Cb 0.53 -1.37 -0.13 0.00 -0.61 0.00 0.00 39.78 38.21 3kke n ASN 279 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3kke s THR 280 N -3.52 0.19 0.23 3.41 2.01 -1.26 -4.28 115.64 112.42 3kke s THR 280 Ca 0.00 -0.40 -0.06 0.00 0.31 0.00 0.00 61.69 61.54 3kke s THR 280 Cb 0.00 -0.22 -0.02 0.00 0.01 0.00 0.00 72.50 72.27 3kke s THR 280 CO 0.00 -0.14 0.31 0.42 -0.69 0.00 0.00 174.62 174.53 3kke s THR 281 N -0.54 0.00 0.39 -0.82 -4.23 -1.26 -5.02 115.64 104.16 3kke s THR 281 Ca -0.04 -1.70 0.14 0.00 -1.18 0.00 0.00 61.69 58.90 3kke s THR 281 Cb -0.04 -2.37 0.35 0.00 1.34 0.00 0.00 72.50 71.78 3kke s THR 281 CO -0.00 0.00 1.86 4.11 -0.54 0.00 0.00 174.62 180.04 3kke h TRP 282 N 2.41 0.67 -0.01 3.99 5.08 -1.98 -1.88 115.95 124.24 3kke h TRP 282 Ca -0.31 0.02 -0.00 0.00 1.08 0.00 0.00 58.89 59.68 3kke h TRP 282 Cb 1.25 -0.21 -0.00 0.00 -3.00 0.00 0.00 29.16 27.20 3kke h TRP 282 CO 0.46 0.20 0.00 0.28 -1.28 0.00 0.00 178.44 178.10 3kke h VAL 283 N 0.53 1.16 -0.71 0.12 2.07 -1.99 -0.90 116.25 116.54 3kke h VAL 283 Ca 0.47 -0.48 0.02 0.00 0.82 0.00 0.00 66.70 67.52 3kke h VAL 283 Cb 0.98 1.48 -0.04 0.00 -1.52 0.00 0.00 31.29 32.20 3kke h VAL 283 CO -0.20 0.13 0.47 0.77 0.02 0.00 0.00 177.57 178.75 3kke h SER 284 N -0.19 0.79 1.34 0.57 4.64 -1.74 -1.92 113.55 117.04 3kke h SER 284 Ca 0.00 -0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 61.25 3kke h SER 284 Cb 0.20 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 3kke h SER 284 CO -0.00 0.56 -0.27 0.44 -0.87 0.00 0.00 176.83 176.70 3kke h ASP 285 N 0.93 0.00 0.06 4.97 3.32 -1.12 -0.73 116.42 123.84 3kke h ASP 285 Ca 0.27 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.99 3kke h ASP 285 Cb -0.05 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 3kke h ASP 285 CO -0.06 0.27 -1.79 0.41 -1.72 0.00 0.00 179.24 176.34 3kke n THR 286 N -3.26 1.64 -1.07 0.35 -1.04 -0.37 -4.82 114.28 105.73 3kke n THR 286 Ca 0.02 -0.38 -0.34 0.00 -2.04 0.00 0.00 64.05 61.30 3kke n THR 286 Cb 0.55 -1.84 0.10 0.00 -1.82 0.00 0.00 70.33 67.31 3kke n THR 286 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 3kke n VAL 287 N -3.90 1.21 -4.07 12.58 0.24 -0.79 -4.82 118.33 118.78 3kke n VAL 287 Ca -0.35 -0.29 -0.34 0.00 -2.04 0.00 0.00 64.34 61.33 3kke n VAL 287 Cb 0.89 -0.79 -0.15 0.00 -1.47 0.00 0.00 33.84 32.32 3kke n VAL 287 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 3kke s TYR 288 N -2.12 2.83 0.50 6.34 5.04 -1.26 -1.61 117.35 127.07 3kke s TYR 288 Ca 0.64 -1.41 -0.21 0.00 -2.44 0.00 0.00 57.07 53.64 3kke s TYR 288 Cb -0.29 -1.97 -0.07 0.00 0.35 0.00 0.00 41.96 39.98 3kke s TYR 288 CO 0.60 -0.72 1.15 -1.25 -1.34 0.00 0.00 175.55 173.99 3kke s PRO 289 N 1.33 3.56 0.21 4.97 0.04 -1.26 -5.11 135.00 138.74 3kke s PRO 289 Ca 0.05 1.71 -0.30 0.00 0.04 0.00 0.00 61.00 62.50 3kke s PRO 289 Cb -0.13 -2.22 -0.09 0.00 0.04 0.00 0.00 34.50 32.09 3kke s PRO 289 CO -0.10 -0.70 1.27 0.00 0.04 0.00 0.00 177.00 177.52 3kke s ALA 290 N -1.64 3.50 -0.02 8.56 0.00 -0.63 -4.87 121.76 126.66 3kke s ALA 290 Ca 0.68 1.07 -0.30 0.00 0.00 0.00 0.00 51.96 53.41 3kke s ALA 290 Cb -0.27 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.36 3kke s ALA 290 CO 0.32 -0.49 1.18 -0.51 0.00 0.00 0.00 175.76 176.26 3kke s LEU 291 N -0.34 4.31 0.26 0.00 1.43 -0.28 -1.04 118.68 123.02 3kke s LEU 291 Ca 0.55 1.85 -0.30 0.00 -1.03 0.00 0.00 54.13 55.20 3kke s LEU 291 Cb -0.36 -3.56 -0.10 0.00 0.03 0.00 0.00 46.19 42.20 3kke s LEU 291 CO 0.39 -0.53 1.42 -0.89 0.23 0.00 0.00 176.35 176.97 3kke s THR 292 N 1.83 2.68 0.14 5.49 2.01 -1.26 -4.64 115.64 121.89 3kke s THR 292 Ca 0.56 0.59 -0.08 0.00 0.31 0.00 0.00 61.69 63.07 3kke s THR 292 Cb -0.26 -3.38 -0.01 0.00 0.01 0.00 0.00 72.50 68.87 3kke s THR 292 CO 0.24 0.10 0.24 0.42 -0.69 0.00 0.00 174.62 174.93 3kke s THR 293 N -0.17 0.09 -0.20 -0.82 -4.23 -0.97 -1.79 115.64 107.55 3kke s THR 293 Ca 0.58 -1.37 -0.02 0.00 -1.18 0.00 0.00 61.69 59.70 3kke s THR 293 Cb -0.41 -1.71 0.00 0.00 1.34 0.00 0.00 72.50 71.72 3kke s THR 293 CO 0.45 -0.42 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.31 3kke s VAL 294 N -3.94 2.79 -0.07 2.29 1.01 -0.27 -0.74 120.40 121.47 3kke s VAL 294 Ca 0.14 -0.69 -0.20 0.00 0.00 0.00 0.00 61.98 61.22 3kke s VAL 294 Cb 0.04 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 3kke s VAL 294 CO -0.03 0.48 0.58 -0.60 0.00 0.00 0.00 175.10 175.53 3kke s ARG 295 N 1.36 4.36 0.19 2.72 3.52 0.98 0.22 118.95 132.30 3kke s ARG 295 Ca 0.05 0.66 0.09 0.00 -0.13 0.00 0.00 55.73 56.40 3kke s ARG 295 Cb -0.14 -3.41 -0.04 0.00 -1.56 0.00 0.00 34.95 29.80 3kke s ARG 295 CO -0.07 0.18 -0.08 -0.51 -0.81 0.00 0.00 175.30 174.01 3kke s LEU 296 N 0.47 3.03 -1.32 -0.88 1.43 -1.26 -0.98 118.68 119.16 3kke s LEU 296 Ca 0.31 -0.57 -0.14 0.00 -1.03 0.00 0.00 54.13 52.71 3kke s LEU 296 Cb -0.17 -1.69 0.11 0.00 0.03 0.00 0.00 46.19 44.47 3kke s LEU 296 CO 0.15 0.09 1.86 -0.81 0.23 0.00 0.00 176.35 177.86 3kke n PRO 297 N -0.07 3.25 0.11 1.29 -0.04 -1.26 -4.75 135.00 133.53 3kke n PRO 297 Ca -0.10 -3.27 -0.02 0.00 -0.04 0.00 0.00 63.50 60.07 3kke n PRO 297 Cb 0.56 -3.19 0.23 0.00 -0.04 0.00 0.00 33.50 31.06 3kke n PRO 297 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3kke h LEU 298 N 9.94 0.19 -0.02 1.53 3.38 -1.96 -1.36 115.31 127.01 3kke h LEU 298 Ca 0.44 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.32 3kke h LEU 298 Cb 0.74 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 3kke h LEU 298 CO 1.59 0.61 -0.01 -0.61 0.09 0.00 0.00 178.44 180.11 3kke h GLN 299 N 0.15 0.05 -0.65 1.13 4.15 -1.85 -2.11 115.11 115.98 3kke h GLN 299 Ca 0.01 -0.02 0.09 0.00 0.77 0.00 0.00 58.65 59.50 3kke h GLN 299 Cb 0.84 -0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.46 3kke h GLN 299 CO 0.07 0.46 0.29 -0.09 -1.93 0.00 0.00 178.83 177.62 3kke h ARG 300 N -0.36 0.49 -0.29 1.69 9.65 -1.85 -1.71 114.38 122.00 3kke h ARG 300 Ca 0.00 -0.03 0.06 0.00 -1.10 0.00 0.00 59.98 58.91 3kke h ARG 300 Cb 0.44 -0.11 -0.05 0.00 -1.39 0.00 0.00 29.97 28.86 3kke h ARG 300 CO 0.00 0.32 -0.06 1.25 2.80 0.00 0.00 179.97 184.29 3kke h LEU 301 N 0.50 -0.23 -0.14 3.80 5.85 -1.09 0.21 115.31 124.21 3kke h LEU 301 Ca 0.32 0.08 0.04 0.00 0.84 0.00 0.00 57.88 59.17 3kke h LEU 301 Cb 0.36 0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.51 3kke h LEU 301 CO -0.28 -0.08 -0.14 1.23 -0.34 0.00 0.00 178.44 178.83 3kke h GLY 302 N 0.02 -0.05 0.49 3.75 0.00 -0.78 -1.54 103.07 104.96 3kke h GLY 302 Ca 0.14 0.18 0.06 0.00 0.00 0.00 0.00 47.33 47.71 3kke h GLY 302 CO -0.28 -0.15 0.06 0.83 0.00 0.00 0.00 176.54 177.01 3kke h GLU 303 N -0.17 0.18 -0.41 4.80 5.08 -0.99 -0.61 114.58 122.45 3kke h GLU 303 Ca 0.10 -0.01 -0.15 0.00 -1.00 0.00 0.00 59.36 58.30 3kke h GLU 303 Cb 0.31 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 3kke h GLU 303 CO -0.25 0.12 -0.32 0.28 -1.00 0.00 0.00 179.01 177.85 3kke h VAL 304 N 0.19 1.27 -0.27 3.13 2.07 -0.83 -0.45 116.25 121.36 3kke h VAL 304 Ca 0.19 -1.49 -0.16 0.00 0.82 0.00 0.00 66.70 66.07 3kke h VAL 304 Cb 0.23 1.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.29 3kke h VAL 304 CO -0.26 0.50 -0.43 0.00 0.02 0.00 0.00 177.57 177.40 3kke h ALA 305 N 0.85 0.42 -0.68 1.67 0.00 -1.16 -0.19 119.26 120.18 3kke h ALA 305 Ca 0.08 -0.47 0.04 0.00 0.00 0.00 0.00 54.91 54.56 3kke h ALA 305 Cb 0.90 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 3kke h ALA 305 CO 0.08 0.55 0.41 0.00 0.00 0.00 0.00 179.25 180.29 3kke h ALA 306 N 0.67 0.90 -0.63 0.00 0.00 -1.00 -1.47 119.26 117.72 3kke h ALA 306 Ca 0.02 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3kke h ALA 306 Cb 1.03 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 3kke h ALA 306 CO 0.10 0.14 0.20 -0.44 0.00 0.00 0.00 179.25 179.24 3kke h ASP 307 N 0.78 0.92 -0.63 0.00 3.32 -0.85 -0.80 116.42 119.16 3kke h ASP 307 Ca 0.28 -0.21 -0.09 0.00 0.02 0.00 0.00 57.03 57.04 3kke h ASP 307 Cb 0.09 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 3kke h ASP 307 CO -0.14 0.88 0.04 0.58 -1.72 0.00 0.00 179.24 178.89 3kke h VAL 308 N 0.91 1.27 -0.21 -1.35 2.07 -0.81 -0.97 116.25 117.15 3kke h VAL 308 Ca 0.20 -1.11 -0.02 0.00 0.82 0.00 0.00 66.70 66.60 3kke h VAL 308 Cb 0.29 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 3kke h VAL 308 CO -0.01 0.41 0.07 0.25 0.02 0.00 0.00 177.57 178.31 3kke h LEU 309 N 0.99 0.31 -0.16 2.57 5.85 -1.06 -1.87 115.31 121.94 3kke h LEU 309 Ca 0.18 -0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 3kke h LEU 309 Cb 0.52 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 3kke h LEU 309 CO 0.02 0.43 -0.09 0.24 -0.34 0.00 0.00 178.44 178.70 3kke h MET 310 N 0.18 0.34 -0.60 1.25 2.86 -1.04 -1.14 114.93 116.77 3kke h MET 310 Ca 0.07 -0.15 0.12 0.00 -2.06 0.00 0.00 59.70 57.68 3kke h MET 310 Cb 0.22 -0.01 -0.11 0.00 0.06 0.00 0.00 31.60 31.76 3kke h MET 310 CO -0.00 0.67 -0.16 0.93 1.06 0.00 0.00 176.91 179.40 3kke h GLU 311 N 0.00 -0.01 -0.84 1.72 3.07 -1.26 -0.03 114.58 117.24 3kke h GLU 311 Ca 0.03 0.00 0.04 0.00 -0.50 0.00 0.00 59.36 58.93 3kke h GLU 311 Cb 0.57 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.43 3kke h GLU 311 CO 0.03 -0.01 0.55 1.25 -1.40 0.00 0.00 179.01 179.43 3kke h HIS 312 N -0.01 0.99 0.00 4.33 2.76 -1.05 -0.85 115.15 121.33 3kke h HIS 312 Ca 0.28 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.44 3kke h HIS 312 Cb 0.44 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 29.07 3kke h HIS 312 CO -0.50 0.57 -0.18 -0.07 -1.30 0.00 0.00 177.93 176.45 3kke h LEU 313 N 1.02 0.00 -2.65 0.26 3.38 0.25 -1.12 115.31 116.44 3kke h LEU 313 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 3kke h LEU 313 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3kke h LEU 313 CO -0.10 0.18 0.00 0.61 0.09 0.00 0.00 178.44 179.22 3kke n GLY 314 N -0.55 2.33 0.00 0.83 0.00 -0.39 -4.92 105.19 102.49 3kke n GLY 314 Ca -0.02 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.35 3kke n GLY 314 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kke n GLY 315 N 0.68 0.74 3.89 -0.02 0.00 -0.42 -5.04 105.19 105.02 3kke n GLY 315 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 3kke n GLY 315 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3kke s ARG 316 N -0.52 3.65 0.42 1.61 1.70 -0.79 -4.96 118.95 120.06 3kke s ARG 316 Ca 0.00 0.33 -0.24 0.00 -0.47 0.00 0.00 55.73 55.35 3kke s ARG 316 Cb 0.00 -2.38 -0.08 0.00 -0.57 0.00 0.00 34.95 31.92 3kke s ARG 316 CO 0.00 -0.14 1.12 0.00 -1.08 0.00 0.00 175.30 175.20 3kke s ALA 317 N -2.58 3.07 0.36 7.88 0.00 -1.26 -4.06 121.76 125.18 3kke s ALA 317 Ca 0.49 0.85 -0.25 0.00 0.00 0.00 0.00 51.96 53.05 3kke s ALA 317 Cb -0.10 -3.34 -0.10 0.00 0.00 0.00 0.00 23.12 19.58 3kke s ALA 317 CO 0.39 -0.43 0.98 -0.51 0.00 0.00 0.00 175.76 176.19 3kke s LEU 318 N -2.70 4.22 0.22 0.00 1.43 -1.26 -4.77 118.68 115.82 3kke s LEU 318 Ca 0.59 1.89 0.04 0.00 -1.03 0.00 0.00 54.13 55.61 3kke s LEU 318 Cb -0.26 -4.14 -0.05 0.00 0.03 0.00 0.00 46.19 41.77 3kke s LEU 318 CO 0.33 -0.24 -0.01 0.42 0.23 0.00 0.00 176.35 177.07 3kke s THR 319 N -1.70 1.04 -0.28 5.49 -4.23 -1.26 -4.67 115.64 110.03 3kke s THR 319 Ca 0.54 -2.03 0.01 0.00 -1.18 0.00 0.00 61.69 59.02 3kke s THR 319 Cb -0.19 -2.30 0.05 0.00 1.34 0.00 0.00 72.50 71.41 3kke s THR 319 CO 0.24 -0.36 -0.06 -1.81 -0.54 0.00 0.00 174.62 172.09 3kke s ASP 320 N -3.29 4.64 0.23 3.99 1.01 -1.26 -1.09 116.67 120.90 3kke s ASP 320 Ca 0.27 -1.32 0.01 0.00 0.71 0.00 0.00 52.55 52.23 3kke s ASP 320 Cb 0.05 -1.63 -0.05 0.00 1.01 0.00 0.00 42.92 42.31 3kke s ASP 320 CO 0.08 -0.22 0.07 0.42 0.21 0.00 0.00 175.17 175.73 3kke s THR 321 N 1.18 0.57 -0.05 -1.27 -4.23 -0.78 -4.97 115.64 106.09 3kke s THR 321 Ca -0.07 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.47 3kke s THR 321 Cb -0.20 -2.50 0.01 0.00 1.34 0.00 0.00 72.50 71.15 3kke s THR 321 CO -0.03 -0.12 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.10 3kke s VAL 322 N -3.74 1.15 -0.43 2.29 1.01 -1.26 -2.20 120.40 117.22 3kke s VAL 322 Ca 0.34 -0.53 -0.27 0.00 0.00 0.00 0.00 61.98 61.52 3kke s VAL 322 Cb 0.07 -1.02 0.02 0.00 0.00 0.00 0.00 36.38 35.45 3kke s VAL 322 CO 0.11 0.35 1.02 -0.69 0.00 0.00 0.00 175.10 175.89 3kke s VAL 323 N 0.36 4.40 -0.47 2.92 1.01 -0.23 -4.84 120.40 123.56 3kke s VAL 323 Ca -0.09 1.11 0.07 0.00 0.00 0.00 0.00 61.98 63.07 3kke s VAL 323 Cb -0.13 -4.47 -0.04 0.00 0.00 0.00 0.00 36.38 31.74 3kke s VAL 323 CO 0.03 -0.80 0.39 0.35 0.00 0.00 0.00 175.10 175.07 3kke n THR 324 N 6.42 0.00 -4.36 3.92 -2.24 -1.26 -3.22 114.28 113.55 3kke n THR 324 Ca 0.09 -0.38 -0.21 0.00 -2.27 0.00 0.00 64.05 61.28 3kke n THR 324 Cb 0.48 1.04 -0.16 0.00 -2.10 0.00 0.00 70.33 69.59 3kke n THR 324 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3kke s GLN 325 N -1.38 1.09 0.83 -0.78 -1.52 -1.26 -3.72 119.66 112.92 3kke s GLN 325 Ca 0.04 -0.26 -0.11 0.00 -1.95 0.00 0.00 55.36 53.08 3kke s GLN 325 Cb 0.05 -0.99 0.09 0.00 -0.22 0.00 0.00 33.01 31.94 3kke s GLN 325 CO 0.23 0.02 1.09 -1.25 -0.25 0.00 0.00 175.29 175.13 3kke s PRO 326 N 0.56 1.76 0.84 2.91 0.04 -1.26 -4.98 135.00 134.88 3kke s PRO 326 Ca -0.09 1.03 -0.12 0.00 0.04 0.00 0.00 61.00 61.87 3kke s PRO 326 Cb -0.12 -1.85 0.10 0.00 0.04 0.00 0.00 34.50 32.66 3kke s PRO 326 CO 0.01 -1.95 1.10 0.95 0.04 0.00 0.00 177.00 177.15 3kke s THR 327 N -2.90 2.79 0.56 1.26 -4.23 -1.24 -4.66 115.64 107.21 3kke s THR 327 Ca 0.62 0.26 -0.20 0.00 -1.18 0.00 0.00 61.69 61.19 3kke s THR 327 Cb -0.18 -2.93 -0.05 0.00 1.34 0.00 0.00 72.50 70.69 3kke s THR 327 CO 0.57 -0.33 1.20 -2.84 -0.54 0.00 0.00 174.62 172.68 3kke s PRO 328 N -5.11 3.20 -0.24 3.99 0.02 -1.26 -4.91 135.00 130.69 3kke s PRO 328 Ca 0.62 1.83 -0.00 0.00 0.02 0.00 0.00 61.00 63.47 3kke s PRO 328 Cb -0.15 -2.06 0.03 0.00 0.02 0.00 0.00 34.50 32.33 3kke s PRO 328 CO 0.55 -1.03 -0.09 -2.00 -0.33 0.00 0.00 177.00 174.10 3kke s GLU 329 N -3.16 2.75 -0.06 5.54 2.12 -0.15 -4.90 118.70 120.83 3kke s GLU 329 Ca 0.74 -1.03 -0.30 0.00 0.36 0.00 0.00 54.97 54.74 3kke s GLU 329 Cb -0.30 -2.90 -0.04 0.00 0.26 0.00 0.00 34.13 31.14 3kke s GLU 329 CO 0.34 -0.40 1.45 -1.17 -0.54 0.00 0.00 175.26 174.94 3kke s LEU 330 N 1.28 4.28 -0.42 2.70 2.96 -1.26 -0.02 118.68 128.20 3kke s LEU 330 Ca -0.01 2.05 -0.06 0.00 -0.22 0.00 0.00 54.13 55.89 3kke s LEU 330 Cb -0.17 -3.54 0.10 0.00 0.50 0.00 0.00 46.19 43.08 3kke s LEU 330 CO -0.06 -0.80 0.24 -0.76 -1.32 0.00 0.00 176.35 173.65 3kke s LEU 331 N 3.27 5.27 -0.13 -0.68 1.43 0.09 -4.97 118.68 122.96 3kke s LEU 331 Ca 0.65 -1.84 -0.29 0.00 -1.03 0.00 0.00 54.13 51.61 3kke s LEU 331 Cb -0.29 -1.91 -0.02 0.00 0.03 0.00 0.00 46.19 44.00 3kke s LEU 331 CO 0.24 -0.57 1.30 -0.69 0.23 0.00 0.00 176.35 176.87 3kke s VAL 332 N 1.27 4.18 0.00 -1.59 1.01 -1.26 -2.30 120.40 121.70 3kke s VAL 332 Ca 0.06 1.44 0.00 0.00 0.00 0.00 0.00 61.98 63.48 3kke s VAL 332 Cb -0.24 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.21 3kke s VAL 332 CO -0.02 -0.10 0.00 0.54 0.00 0.00 0.00 175.10 175.52 3kke n ARG 333 N 6.38 0.00 0.00 2.72 5.12 -1.26 -4.97 116.66 124.65 3kke n ARG 333 Ca 0.14 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.06 3kke n ARG 333 Cb 0.45 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.75 3kke n ARG 333 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3kke n GLU 334 N 0.00 0.90 -0.26 5.56 1.02 -0.21 -4.75 120.64 122.91 3kke n GLU 334 Ca 0.00 -0.91 0.07 0.00 -0.02 0.00 0.00 57.16 56.30 3kke n GLU 334 Cb 0.00 -0.93 0.20 0.00 -0.02 0.00 0.00 31.44 30.69 3kke n GLU 334 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3kke n THR 335 N -0.22 1.18 -4.87 2.62 -2.24 -1.17 -4.15 114.28 105.43 3kke n THR 335 Ca 0.00 -1.10 -0.26 0.00 -2.27 0.00 0.00 64.05 60.42 3kke n THR 335 Cb 0.16 0.40 -0.16 0.00 -2.10 0.00 0.00 70.33 68.64 3kke n THR 335 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3kke s THR 336 N -1.23 1.45 0.28 4.28 -4.23 -1.26 -0.30 115.64 114.61 3kke s THR 336 Ca 0.31 -0.76 -0.20 0.00 -1.18 0.00 0.00 61.69 59.85 3kke s THR 336 Cb 0.18 -1.21 0.05 0.00 1.34 0.00 0.00 72.50 72.85 3kke s THR 336 CO 0.18 0.41 0.83 0.00 -0.54 0.00 0.00 174.62 175.51 3kke s ALA 337 N -0.29 -1.21 0.63 3.99 0.00 -1.26 -4.96 121.76 118.67 3kke s ALA 337 Ca 0.04 -0.36 -0.18 0.00 0.00 0.00 0.00 51.96 51.45 3kke s ALA 337 Cb -0.08 0.74 -0.02 0.00 0.00 0.00 0.00 23.12 23.76 3kke s ALA 337 CO 0.00 -1.03 1.28 -2.14 0.00 0.00 0.00 175.76 173.87 3kke s PRO 338 N -3.07 2.67 0.82 0.00 0.02 -1.26 -4.82 135.00 129.37 3kke s PRO 338 Ca 0.14 2.02 -0.12 0.00 0.02 0.00 0.00 61.00 63.07 3kke s PRO 338 Cb -0.04 -1.88 0.09 0.00 0.02 0.00 0.00 34.50 32.68 3kke s PRO 338 CO 0.07 -1.49 1.14 -1.25 -0.33 0.00 0.00 177.00 175.14 3kke s PRO 339 N -3.34 1.68 0.00 5.54 0.04 -1.26 -4.92 135.00 132.73 3kke s PRO 339 Ca 0.81 1.49 0.00 0.00 0.04 0.00 0.00 61.00 63.34 3kke s PRO 339 Cb -0.36 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.37 3kke s PRO 339 CO 0.39 -2.13 0.24 0.25 0.04 0.00 0.00 177.00 175.78