#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kke s LEU 56 N 0.00 3.41 0.09 0.00 2.96 -1.26 -4.98 118.68 118.90 3kke s LEU 56 Ca 0.00 -0.15 0.06 0.00 -0.22 0.00 0.00 54.13 53.81 3kke s LEU 56 Cb 0.00 -1.88 -0.03 0.00 0.50 0.00 0.00 46.19 44.78 3kke s LEU 56 CO 0.00 0.05 -0.14 -0.13 -1.32 0.00 0.00 176.35 174.81 3kke s ARG 57 N 1.07 0.92 0.46 1.98 0.52 -1.26 -5.00 118.95 117.64 3kke s ARG 57 Ca 0.03 -1.08 0.21 0.00 -0.52 0.00 0.00 55.73 54.36 3kke s ARG 57 Cb -0.14 -0.88 1.20 0.00 0.52 0.00 0.00 34.95 35.65 3kke s ARG 57 CO 0.02 0.18 1.91 0.45 0.02 0.00 0.00 175.30 177.89 3kke h HIS 58 N 3.95 0.32 0.00 -0.53 3.86 -1.98 0.40 115.15 121.17 3kke h HIS 58 Ca -0.41 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 58.81 3kke h HIS 58 Cb 1.19 -0.10 -0.00 0.00 1.06 0.00 0.00 27.41 29.56 3kke h HIS 58 CO 0.64 0.11 -0.04 1.03 0.86 0.00 0.00 177.93 180.53 3kke h SER 59 N 0.26 0.00 -2.87 2.45 0.87 -2.02 -3.46 113.55 108.78 3kke h SER 59 Ca 0.38 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.76 3kke h SER 59 Cb 1.10 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.02 3kke h SER 59 CO -0.09 0.04 -0.19 0.54 -0.53 0.00 0.00 176.83 176.59 3kke n ARG 60 N -3.67 -1.82 -4.25 2.24 5.12 0.14 -4.91 116.66 109.51 3kke n ARG 60 Ca -0.03 0.47 -0.14 0.00 -1.93 0.00 0.00 57.85 56.23 3kke n ARG 60 Cb 0.13 -4.84 -0.10 0.00 -1.16 0.00 0.00 32.46 26.49 3kke n ARG 60 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 3kke s SER 61 N -1.88 1.73 0.63 0.55 0.01 -1.26 -5.00 113.70 108.46 3kke s SER 61 Ca 0.00 -1.04 -0.17 0.00 1.31 0.00 0.00 55.95 56.05 3kke s SER 61 Cb 0.00 0.00 -0.02 0.00 0.21 0.00 0.00 66.02 66.22 3kke s SER 61 CO 0.00 -0.37 1.16 -0.83 0.41 0.00 0.00 173.24 173.61 3kke s GLY 62 N -3.17 2.48 -0.02 3.44 0.00 -1.26 -4.90 107.32 103.89 3kke s GLY 62 Ca 0.18 0.82 0.01 0.00 0.00 0.00 0.00 44.72 45.72 3kke s GLY 62 CO 0.01 1.19 -0.02 -1.59 0.00 0.00 0.00 173.10 172.69 3kke s THR 63 N -1.91 0.24 0.07 0.90 2.01 -1.26 -1.03 115.64 114.65 3kke s THR 63 Ca 0.73 -0.03 0.08 0.00 0.31 0.00 0.00 61.69 62.77 3kke s THR 63 Cb -0.26 -0.28 -0.03 0.00 0.01 0.00 0.00 72.50 71.95 3kke s THR 63 CO 0.36 0.12 -0.21 0.27 -0.69 0.00 0.00 174.62 174.47 3kke s ILE 64 N 0.53 1.71 -0.20 1.82 -4.36 0.27 -1.20 121.20 119.78 3kke s ILE 64 Ca -0.05 -1.35 -0.12 0.00 -0.26 0.00 0.00 60.65 58.87 3kke s ILE 64 Cb -0.08 -1.51 -0.05 0.00 1.25 0.00 0.00 42.46 42.06 3kke s ILE 64 CO -0.01 0.11 0.21 -0.83 0.24 0.00 0.00 174.94 174.66 3kke s GLY 65 N -1.47 2.08 -0.30 6.27 0.00 -0.25 -1.52 107.32 112.14 3kke s GLY 65 Ca 0.07 -0.65 -0.10 0.00 0.00 0.00 0.00 44.72 44.05 3kke s GLY 65 CO 0.03 0.35 0.16 -2.27 0.00 0.00 0.00 173.10 171.37 3kke s LEU 66 N 0.64 4.05 -0.22 0.66 2.96 0.87 -1.13 118.68 126.51 3kke s LEU 66 Ca 0.12 -0.34 -0.04 0.00 -0.22 0.00 0.00 54.13 53.65 3kke s LEU 66 Cb -0.12 -2.04 -0.01 0.00 0.50 0.00 0.00 46.19 44.52 3kke s LEU 66 CO 0.02 -0.14 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.23 3kke s ILE 67 N 1.67 3.33 0.01 6.68 -1.09 -0.08 -1.01 121.20 130.70 3kke s ILE 67 Ca 0.06 -0.51 0.05 0.00 -2.23 0.00 0.00 60.65 58.02 3kke s ILE 67 Cb -0.17 -2.51 -0.01 0.00 -1.58 0.00 0.00 42.46 38.19 3kke s ILE 67 CO 0.08 0.43 -0.15 0.68 -1.23 0.00 0.00 174.94 174.75 3kke s VAL 68 N 1.47 1.15 0.20 2.92 -7.23 -0.69 -2.23 120.40 115.99 3kke s VAL 68 Ca 0.06 -0.75 -0.10 0.00 -1.81 0.00 0.00 61.98 59.38 3kke s VAL 68 Cb -0.14 -0.98 0.13 0.00 0.56 0.00 0.00 36.38 35.95 3kke s VAL 68 CO -0.04 0.22 1.81 -0.65 -0.31 0.00 0.00 175.10 176.13 3kke h PRO 69 N 5.50 0.64 -2.15 4.82 0.11 -1.89 -3.41 132.00 135.61 3kke h PRO 69 Ca -0.36 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.72 3kke h PRO 69 Cb 1.17 -0.14 -0.18 0.00 0.11 0.00 0.00 31.00 31.95 3kke h PRO 69 CO 0.47 0.42 0.32 0.16 -0.21 0.00 0.00 178.00 179.16 3kke s ASP 70 N -5.58 -0.53 0.03 -2.05 1.47 -1.26 -4.99 116.67 103.76 3kke s ASP 70 Ca -0.13 0.39 0.28 0.00 1.18 0.00 0.00 52.55 54.28 3kke s ASP 70 Cb 0.16 0.48 1.15 0.00 -0.34 0.00 0.00 42.92 44.36 3kke s ASP 70 CO 0.76 -0.63 1.89 1.33 0.68 0.00 0.00 175.17 179.19 3kke n VAL 71 N 0.42 0.09 0.35 2.11 0.24 -1.26 -3.58 118.33 116.71 3kke n VAL 71 Ca -0.15 -0.04 0.13 0.00 -2.04 0.00 0.00 64.34 62.24 3kke n VAL 71 Cb 0.60 -0.49 0.33 0.00 -1.47 0.00 0.00 33.84 32.81 3kke n VAL 71 CO 0.00 0.00 0.00 0.78 -2.14 0.00 0.00 176.83 175.47 3kke h ASN 72 N 0.00 0.00 -4.28 -1.34 2.35 -2.01 -3.45 115.58 106.85 3kke h ASN 72 Ca 0.00 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 55.23 3kke h ASN 72 Cb 0.54 0.00 0.16 0.00 0.05 0.00 0.00 38.32 39.07 3kke h ASN 72 CO 0.00 0.00 0.28 0.54 -1.65 0.00 0.00 177.43 176.60 3kke s ASN 73 N -5.56 3.72 0.29 5.81 2.20 -1.23 -4.91 114.94 115.26 3kke s ASN 73 Ca 0.07 2.04 0.09 0.00 -0.94 0.00 0.00 52.86 54.12 3kke s ASN 73 Cb 0.08 -2.55 0.41 0.00 -2.00 0.00 0.00 41.25 37.19 3kke s ASN 73 CO 0.61 -2.57 1.65 0.00 -2.94 0.00 0.00 177.10 173.86 3kke h ALA 74 N -1.42 1.04 0.00 3.54 0.00 -1.94 -2.86 119.26 117.62 3kke h ALA 74 Ca -0.44 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 53.97 3kke h ALA 74 Cb 1.25 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3kke h ALA 74 CO 0.46 0.69 -0.67 -0.39 0.00 0.00 0.00 179.25 179.34 3kke h VAL 75 N 0.06 0.00 -0.44 0.00 -1.51 -1.95 -3.40 116.25 109.01 3kke h VAL 75 Ca -0.00 -0.93 0.09 0.00 -1.23 0.00 0.00 66.70 64.63 3kke h VAL 75 Cb 0.99 1.58 -0.09 0.00 -2.13 0.00 0.00 31.29 31.63 3kke h VAL 75 CO 0.08 0.00 -0.19 0.15 -1.23 0.00 0.00 177.57 176.37 3kke h PHE 76 N 0.00 -0.48 0.03 5.19 3.57 -1.82 -1.46 116.94 121.97 3kke h PHE 76 Ca 0.00 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 3kke h PHE 76 Cb 0.96 0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.98 3kke h PHE 76 CO 0.00 -0.28 -0.02 0.00 -2.23 0.00 0.00 178.31 175.79 3kke h ALA 77 N 1.21 -0.05 -0.36 2.41 0.00 -1.78 0.29 119.26 120.98 3kke h ALA 77 Ca 0.21 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.97 3kke h ALA 77 Cb 0.43 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3kke h ALA 77 CO -0.50 -0.52 -0.32 -0.44 0.00 0.00 0.00 179.25 177.47 3kke h ASP 78 N -0.06 0.90 -0.57 0.00 3.32 -1.80 -1.62 116.42 116.61 3kke h ASP 78 Ca -0.00 -0.46 -0.05 0.00 0.02 0.00 0.00 57.03 56.54 3kke h ASP 78 Cb 0.04 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 3kke h ASP 78 CO 0.01 1.17 0.15 -0.03 -1.72 0.00 0.00 179.24 178.82 3kke h MET 79 N 0.65 0.90 -0.89 3.56 1.85 -1.01 -1.74 114.93 118.24 3kke h MET 79 Ca 0.06 -0.21 -0.02 0.00 -0.61 0.00 0.00 59.70 58.92 3kke h MET 79 Cb 0.90 -0.12 -0.04 0.00 0.43 0.00 0.00 31.60 32.77 3kke h MET 79 CO 0.08 0.83 0.48 0.35 -0.40 0.00 0.00 176.91 178.24 3kke h PHE 80 N 0.80 1.24 -0.59 1.39 3.57 -0.36 -1.17 116.94 121.82 3kke h PHE 80 Ca 0.18 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 3kke h PHE 80 Cb 0.32 -0.39 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 3kke h PHE 80 CO 0.02 0.87 0.30 1.03 -2.23 0.00 0.00 178.31 178.30 3kke h SER 81 N 1.26 0.73 -0.02 0.41 0.87 -0.82 0.15 113.55 116.13 3kke h SER 81 Ca 0.31 -0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.81 3kke h SER 81 Cb 0.05 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 61.82 3kke h SER 81 CO -0.05 0.61 0.00 1.23 -0.53 0.00 0.00 176.83 178.10 3kke h GLY 82 N 0.90 0.03 0.83 5.77 0.00 -0.61 -2.62 103.07 107.37 3kke h GLY 82 Ca 0.21 -0.02 0.02 0.00 0.00 0.00 0.00 47.33 47.54 3kke h GLY 82 CO -0.03 0.02 0.06 -2.08 0.00 0.00 0.00 176.54 174.51 3kke h VAL 83 N -0.20 0.94 -0.54 4.60 2.07 -0.93 -1.76 116.25 120.43 3kke h VAL 83 Ca 0.01 -0.05 -0.05 0.00 0.82 0.00 0.00 66.70 67.42 3kke h VAL 83 Cb 0.23 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 3kke h VAL 83 CO 0.00 0.03 0.15 -0.61 0.02 0.00 0.00 177.57 177.16 3kke h GLN 84 N 0.16 0.86 -0.13 1.57 4.15 -1.03 -0.88 115.11 119.81 3kke h GLN 84 Ca 0.09 -0.20 0.03 0.00 0.77 0.00 0.00 58.65 59.34 3kke h GLN 84 Cb 0.06 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.60 3kke h GLN 84 CO -0.10 0.80 -0.06 1.98 -1.93 0.00 0.00 178.83 179.52 3kke h MET 85 N 0.76 -0.05 -0.23 1.69 4.05 -1.30 -0.77 114.93 119.08 3kke h MET 85 Ca 0.17 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.59 3kke h MET 85 Cb 0.31 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.11 3kke h MET 85 CO -0.00 -0.03 0.12 0.00 0.23 0.00 0.00 176.91 177.23 3kke h ALA 86 N 1.07 0.29 -0.04 0.39 0.00 -1.03 -2.93 119.26 117.02 3kke h ALA 86 Ca 0.07 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3kke h ALA 86 Cb 0.15 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3kke h ALA 86 CO -0.16 -0.18 -0.03 0.00 0.00 0.00 0.00 179.25 178.88 3kke h ALA 87 N 1.01 -0.00 -0.81 0.00 0.00 -1.01 -2.20 119.26 116.24 3kke h ALA 87 Ca 0.08 0.02 0.15 0.00 0.00 0.00 0.00 54.91 55.15 3kke h ALA 87 Cb 0.07 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 3kke h ALA 87 CO -0.01 -0.52 0.54 0.77 0.00 0.00 0.00 179.25 180.02 3kke h SER 88 N -0.04 0.51 0.11 0.00 0.02 -1.11 0.14 113.55 113.18 3kke h SER 88 Ca 0.03 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 3kke h SER 88 Cb 0.08 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.55 3kke h SER 88 CO -0.06 0.26 -0.12 1.23 -1.14 0.00 0.00 176.83 177.00 3kke h GLY 89 N 0.54 0.01 -3.03 -3.77 0.00 -1.20 -1.64 103.07 93.98 3kke h GLY 89 Ca 0.40 -0.01 -0.28 0.00 0.00 0.00 0.00 47.33 47.45 3kke h GLY 89 CO -0.16 0.01 0.25 1.42 0.00 0.00 0.00 176.54 178.06 3kke n HIS 90 N -4.39 2.05 -3.73 5.60 8.25 0.32 -4.96 115.22 118.36 3kke n HIS 90 Ca -0.03 -1.51 -0.25 0.00 -0.26 0.00 0.00 57.72 55.68 3kke n HIS 90 Cb 0.19 -0.67 -0.07 0.00 1.12 0.00 0.00 29.99 30.57 3kke n HIS 90 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3kke n SER 91 N -0.84 0.01 -4.61 0.41 2.88 -0.62 -4.80 113.62 106.05 3kke n SER 91 Ca 0.43 -0.89 -0.34 0.00 -1.33 0.00 0.00 58.87 56.73 3kke n SER 91 Cb 1.32 -1.12 -0.10 0.00 -0.75 0.00 0.00 64.21 63.55 3kke n SER 91 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 3kke s THR 92 N -3.50 4.24 0.28 2.46 2.01 -0.19 -4.30 115.64 116.63 3kke s THR 92 Ca 0.20 -0.25 -0.15 0.00 0.31 0.00 0.00 61.69 61.80 3kke s THR 92 Cb -0.12 -2.83 -0.08 0.00 0.01 0.00 0.00 72.50 69.48 3kke s THR 92 CO 0.71 0.54 0.69 -1.81 -0.69 0.00 0.00 174.62 174.06 3kke s ASP 93 N -0.22 6.79 -0.22 3.53 -0.00 -0.20 -3.97 116.67 122.37 3kke s ASP 93 Ca 0.05 1.22 -0.04 0.00 -0.00 0.00 0.00 52.55 53.77 3kke s ASP 93 Cb -0.12 -2.35 -0.01 0.00 -0.00 0.00 0.00 42.92 40.44 3kke s ASP 93 CO 0.02 -0.13 -0.02 -0.69 -0.00 0.00 0.00 175.17 174.35 3kke s VAL 94 N -1.85 3.54 -0.15 -1.27 1.01 -1.26 -0.56 120.40 119.85 3kke s VAL 94 Ca 0.50 -0.44 -0.08 0.00 0.00 0.00 0.00 61.98 61.97 3kke s VAL 94 Cb -0.12 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 3kke s VAL 94 CO 0.19 0.41 0.13 -0.76 0.00 0.00 0.00 175.10 175.07 3kke s LEU 95 N 1.49 4.31 -0.16 3.92 1.43 -0.57 -4.96 118.68 124.14 3kke s LEU 95 Ca 0.06 0.37 -0.03 0.00 -1.03 0.00 0.00 54.13 53.50 3kke s LEU 95 Cb -0.14 -2.07 -0.02 0.00 0.03 0.00 0.00 46.19 43.98 3kke s LEU 95 CO -0.02 0.32 -0.05 -0.22 0.23 0.00 0.00 176.35 176.61 3kke s LEU 96 N -0.50 3.15 0.00 1.79 2.96 -1.26 -0.09 118.68 124.72 3kke s LEU 96 Ca 0.12 -0.18 -0.01 0.00 -0.22 0.00 0.00 54.13 53.84 3kke s LEU 96 Cb -0.12 -1.76 0.01 0.00 0.50 0.00 0.00 46.19 44.82 3kke s LEU 96 CO 0.02 0.15 0.13 0.61 -1.32 0.00 0.00 176.35 175.94 3kke n GLY 97 N 3.66 2.51 3.19 7.98 0.00 -0.18 -4.96 105.19 117.40 3kke n GLY 97 Ca -0.17 -1.30 -0.12 0.00 0.00 0.00 0.00 46.02 44.42 3kke n GLY 97 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kke s GLN 98 N -2.12 0.66 0.17 1.61 -0.21 -1.26 -1.71 119.66 116.80 3kke s GLN 98 Ca 0.06 -0.42 0.11 0.00 0.02 0.00 0.00 55.36 55.12 3kke s GLN 98 Cb -0.01 0.28 -0.04 0.00 1.00 0.00 0.00 33.01 34.24 3kke s GLN 98 CO 0.04 -0.19 -0.24 0.96 -2.12 0.00 0.00 175.29 173.74 3kke s ILE 99 N -1.93 2.26 0.85 1.08 -4.36 -1.26 -5.01 121.20 112.83 3kke s ILE 99 Ca -0.10 -1.94 -0.10 0.00 -0.26 0.00 0.00 60.65 58.26 3kke s ILE 99 Cb -0.04 -2.05 0.15 0.00 1.25 0.00 0.00 42.46 41.78 3kke s ILE 99 CO -0.00 -0.08 1.17 -1.81 0.24 0.00 0.00 174.94 174.46 3kke s ASP 100 N -2.49 3.80 0.63 4.36 1.01 -1.26 -4.96 116.67 117.76 3kke s ASP 100 Ca 0.18 0.14 -0.19 0.00 0.71 0.00 0.00 52.55 53.39 3kke s ASP 100 Cb -0.08 -0.39 -0.02 0.00 1.01 0.00 0.00 42.92 43.44 3kke s ASP 100 CO 0.08 -2.27 1.29 0.00 0.21 0.00 0.00 175.17 174.49 3kke n ALA 101 N -3.35 1.19 -1.22 5.23 0.00 -1.26 -3.08 120.51 118.02 3kke n ALA 101 Ca 0.14 0.02 -0.32 0.00 0.00 0.00 0.00 53.44 53.28 3kke n ALA 101 Cb 0.60 -2.32 0.10 0.00 0.00 0.00 0.00 19.45 17.82 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 -3.27 2.11 0.46 0.00 0.04 -1.26 -1.29 135.00 131.78 3kke s PRO 102 Ca 0.81 1.42 0.26 0.00 0.04 0.00 0.00 61.00 63.52 3kke s PRO 102 Cb -0.39 -1.86 0.81 0.00 0.04 0.00 0.00 34.50 33.10 3kke s PRO 102 CO 0.42 -1.79 1.77 -1.35 0.04 0.00 0.00 177.00 176.09 3kke h PRO 103 N -0.83 0.00 0.24 0.56 0.11 -1.99 -3.45 132.00 126.65 3kke h PRO 103 Ca -0.45 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.67 3kke h PRO 103 Cb 1.26 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.33 3kke h PRO 103 CO 0.50 0.13 -0.39 0.00 -0.21 0.00 0.00 178.00 178.02 3kke h ARG 104 N 0.00 -0.68 -0.76 1.05 3.08 -1.86 -0.92 114.38 114.29 3kke h ARG 104 Ca -0.00 0.05 0.14 0.00 0.07 0.00 0.00 59.98 60.23 3kke h ARG 104 Cb 0.82 0.16 -0.13 0.00 0.08 0.00 0.00 29.97 30.89 3kke h ARG 104 CO 0.02 -0.45 -0.24 0.41 -1.07 0.00 0.00 179.97 178.64 3kke n GLY 105 N -1.47 -1.40 0.22 0.04 0.00 -0.41 -0.39 105.19 101.77 3kke n GLY 105 Ca -0.09 0.83 -0.05 0.00 0.00 0.00 0.00 46.02 46.71 3kke n GLY 105 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3kke h THR 106 N 0.00 1.05 -0.67 2.61 2.02 -1.46 -1.90 112.91 114.55 3kke h THR 106 Ca 0.32 -0.22 -0.04 0.00 0.77 0.00 0.00 66.41 67.24 3kke h THR 106 Cb 0.51 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 3kke h THR 106 CO -0.77 0.11 0.27 1.56 0.37 0.00 0.00 175.52 177.06 3kke h GLN 107 N 0.63 1.01 -0.08 6.66 7.50 0.01 -1.91 115.11 128.93 3kke h GLN 107 Ca 0.22 -0.18 0.02 0.00 0.50 0.00 0.00 58.65 59.21 3kke h GLN 107 Cb 0.03 -0.16 -0.03 0.00 0.05 0.00 0.00 27.48 27.37 3kke h GLN 107 CO -0.10 0.84 -0.07 1.96 -1.50 0.00 0.00 178.83 179.97 3kke h GLN 108 N 0.95 -0.08 0.21 1.46 4.20 -0.54 0.17 115.11 121.49 3kke h GLN 108 Ca 0.22 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.93 3kke h GLN 108 Cb 0.21 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.01 3kke h GLN 108 CO -0.02 -0.05 -0.10 -0.07 -0.67 0.00 0.00 178.83 177.92 3kke h LEU 109 N -0.08 -0.24 -0.59 1.46 3.38 -1.29 -1.94 115.31 116.01 3kke h LEU 109 Ca 0.06 -0.11 0.11 0.00 0.09 0.00 0.00 57.88 58.03 3kke h LEU 109 Cb 0.16 0.06 -0.12 0.00 0.09 0.00 0.00 40.66 40.85 3kke h LEU 109 CO -0.13 -0.03 -0.25 -1.28 0.09 0.00 0.00 178.44 176.84 3kke h SER 110 N -0.44 -0.88 -0.43 -0.43 0.87 -1.17 -0.59 113.55 110.49 3kke h SER 110 Ca -0.03 0.21 0.05 0.00 -1.23 0.00 0.00 61.79 60.79 3kke h SER 110 Cb 0.33 0.48 -0.05 0.00 -0.44 0.00 0.00 62.40 62.73 3kke h SER 110 CO 0.05 -0.26 0.17 0.03 -0.53 0.00 0.00 176.83 176.28 3kke h ARG 111 N -0.10 0.34 -0.82 2.24 -0.00 -0.87 0.43 114.38 115.59 3kke h ARG 111 Ca 0.26 -0.02 0.08 0.00 -0.50 0.00 0.00 59.98 59.80 3kke h ARG 111 Cb 0.52 -0.08 -0.07 0.00 0.00 0.00 0.00 29.97 30.34 3kke h ARG 111 CO -0.66 0.22 0.48 -0.07 0.00 0.00 0.00 179.97 179.95 3kke h LEU 112 N 0.35 0.72 -0.04 3.04 3.38 -0.33 0.16 115.31 122.58 3kke h LEU 112 Ca 0.20 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 3kke h LEU 112 Cb 0.17 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3kke h LEU 112 CO -0.19 0.43 -0.07 0.58 0.09 0.00 0.00 178.44 179.28 3kke h VAL 113 N 0.84 1.43 0.00 1.22 2.07 -0.51 -1.42 116.25 119.88 3kke h VAL 113 Ca 0.38 -1.37 -0.11 0.00 0.82 0.00 0.00 66.70 66.42 3kke h VAL 113 Cb 0.28 2.25 -0.02 0.00 -1.52 0.00 0.00 31.29 32.29 3kke h VAL 113 CO -0.22 0.37 -0.50 0.77 0.02 0.00 0.00 177.57 178.01 3kke h SER 114 N -0.40 0.00 -0.02 0.57 4.64 0.46 -1.33 113.55 117.48 3kke h SER 114 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kke h SER 114 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 3kke h SER 114 CO 0.02 0.50 0.00 -0.62 -0.87 0.00 0.00 176.83 175.86 3kke n GLU 115 N -3.63 1.20 -1.04 4.77 1.02 0.49 -4.94 120.64 118.52 3kke n GLU 115 Ca -0.01 -0.30 -0.01 0.00 -0.02 0.00 0.00 57.16 56.82 3kke n GLU 115 Cb 0.58 -1.45 -0.01 0.00 -0.02 0.00 0.00 31.44 30.54 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 1.01 0.51 0.16 0.62 0.00 -0.50 -4.95 105.19 102.05 3kke n GLY 116 Ca 0.20 -0.48 -0.15 0.00 0.00 0.00 0.00 46.02 45.60 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 0.43 0.50 -5.52 1.61 3.08 -1.49 -3.46 114.38 109.53 3kke h ARG 117 Ca -0.03 -0.35 -0.44 0.00 0.07 0.00 0.00 59.98 59.23 3kke h ARG 117 Cb 0.16 0.06 -0.15 0.00 0.08 0.00 0.00 29.97 30.11 3kke h ARG 117 CO 0.04 0.97 -0.74 0.14 -1.07 0.00 0.00 179.97 179.31 3kke s VAL 118 N -3.87 1.61 -0.08 2.04 -7.23 -0.93 -4.85 120.40 107.09 3kke s VAL 118 Ca -0.13 -2.08 0.14 0.00 -1.81 0.00 0.00 61.98 58.10 3kke s VAL 118 Cb 0.06 -1.92 -0.22 0.00 0.56 0.00 0.00 36.38 34.86 3kke s VAL 118 CO 0.81 -0.56 0.58 0.47 -0.31 0.00 0.00 175.10 176.09 3kke n ASP 119 N -0.14 0.70 -3.66 4.85 8.00 -0.34 -4.27 116.55 121.70 3kke n ASP 119 Ca -0.10 0.33 -0.07 0.00 0.71 0.00 0.00 54.79 55.67 3kke n ASP 119 Cb 0.59 0.19 -0.02 0.00 -0.02 0.00 0.00 41.12 41.87 3kke n ASP 119 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3kke s GLY 120 N -5.11 -0.32 -0.04 0.44 0.00 -1.26 -4.66 107.32 96.37 3kke s GLY 120 Ca -0.05 0.33 0.02 0.00 0.00 0.00 0.00 44.72 45.01 3kke s GLY 120 CO 0.83 0.09 -0.07 0.14 0.00 0.00 0.00 173.10 174.09 3kke s VAL 121 N -3.43 0.67 -0.20 1.40 1.01 -0.26 -1.09 120.40 118.50 3kke s VAL 121 Ca 0.08 -0.24 -0.08 0.00 0.00 0.00 0.00 61.98 61.74 3kke s VAL 121 Cb -0.02 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.68 3kke s VAL 121 CO -0.02 0.24 0.09 -0.76 0.00 0.00 0.00 175.10 174.64 3kke s LEU 122 N 0.58 3.84 -0.08 3.92 1.43 -0.29 -1.11 118.68 126.97 3kke s LEU 122 Ca -0.09 0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.07 3kke s LEU 122 Cb -0.12 -1.99 0.02 0.00 0.03 0.00 0.00 46.19 44.13 3kke s LEU 122 CO 0.01 0.12 -0.07 -0.22 0.23 0.00 0.00 176.35 176.42 3kke s LEU 123 N 0.68 1.25 -0.06 1.79 2.96 -0.38 -0.90 118.68 124.02 3kke s LEU 123 Ca 0.04 -0.24 -0.17 0.00 -0.22 0.00 0.00 54.13 53.54 3kke s LEU 123 Cb -0.13 -0.71 -0.05 0.00 0.50 0.00 0.00 46.19 45.80 3kke s LEU 123 CO 0.02 -0.08 0.46 -1.58 -1.32 0.00 0.00 176.35 173.85 3kke s GLN 124 N 1.32 4.18 -0.19 1.98 0.74 -0.95 -0.84 119.66 125.90 3kke s GLN 124 Ca -0.03 0.47 -0.29 0.00 0.05 0.00 0.00 55.36 55.55 3kke s GLN 124 Cb -0.14 -3.34 -0.03 0.00 1.10 0.00 0.00 33.01 30.61 3kke s GLN 124 CO -0.03 0.40 1.56 0.50 -0.55 0.00 0.00 175.29 177.16 3kke s ARG 125 N -0.16 3.91 0.30 1.67 3.52 -1.26 -4.42 118.95 122.51 3kke s ARG 125 Ca 0.25 1.71 -0.29 0.00 -0.13 0.00 0.00 55.73 57.28 3kke s ARG 125 Cb -0.16 -3.99 -0.13 0.00 -1.56 0.00 0.00 34.95 29.11 3kke s ARG 125 CO 0.12 -1.15 1.23 0.54 -0.81 0.00 0.00 175.30 175.24 3kke n ARG 126 N 7.44 1.84 0.10 5.12 1.74 -1.26 -4.88 116.66 126.76 3kke n ARG 126 Ca 0.18 0.65 0.10 0.00 -0.77 0.00 0.00 57.85 58.00 3kke n ARG 126 Cb 0.45 -2.18 0.44 0.00 -1.02 0.00 0.00 32.46 30.14 3kke n ARG 126 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 3kke n GLU 127 N 0.99 0.13 -0.17 5.56 0.28 -1.26 -1.67 120.64 124.50 3kke n GLU 127 Ca 0.08 0.45 0.10 0.00 -0.16 0.00 0.00 57.16 57.63 3kke n GLU 127 Cb 0.33 -1.79 0.27 0.00 1.43 0.00 0.00 31.44 31.68 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 -2.05 2.54 -4.64 -1.84 5.75 -1.26 -4.63 116.55 110.43 3kke n ASP 128 Ca 0.01 -1.89 -0.38 0.00 -0.01 0.00 0.00 54.79 52.52 3kke n ASP 128 Cb 0.15 -0.23 -0.08 0.00 -1.03 0.00 0.00 41.12 39.93 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 -1.55 3.30 0.89 2.11 0.40 -0.67 -5.09 117.98 117.37 3kke s PHE 129 Ca 0.35 0.47 -0.12 0.00 -0.60 0.00 0.00 56.93 57.02 3kke s PHE 129 Cb 0.19 -2.52 0.16 0.00 0.51 0.00 0.00 43.02 41.36 3kke s PHE 129 CO 0.27 -0.12 1.23 0.16 0.70 0.00 0.00 175.22 177.46 3kke s ASP 130 N 1.35 3.60 0.44 1.36 1.47 -1.26 -4.77 116.67 118.85 3kke s ASP 130 Ca 0.16 0.23 0.13 0.00 1.18 0.00 0.00 52.55 54.25 3kke s ASP 130 Cb -0.15 -0.42 0.96 0.00 -0.34 0.00 0.00 42.92 42.96 3kke s ASP 130 CO 0.09 -2.42 1.99 0.44 0.68 0.00 0.00 175.17 175.95 3kke h ASP 131 N -1.32 0.08 0.01 2.11 3.32 -1.96 -0.44 116.42 118.22 3kke h ASP 131 Ca -0.43 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.60 3kke h ASP 131 Cb 1.26 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.79 3kke h ASP 131 CO 0.43 0.23 -0.00 0.44 -1.72 0.00 0.00 179.24 178.61 3kke h ASP 132 N 0.09 -0.01 -0.55 6.45 3.32 -1.97 0.27 116.42 124.02 3kke h ASP 132 Ca 0.02 -0.70 0.10 0.00 0.02 0.00 0.00 57.03 56.47 3kke h ASP 132 Cb 0.29 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.76 3kke h ASP 132 CO 0.02 0.70 0.11 0.24 -1.72 0.00 0.00 179.24 178.58 3kke h MET 133 N -0.72 0.23 0.09 3.56 2.86 -1.86 0.54 114.93 119.63 3kke h MET 133 Ca -0.00 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3kke h MET 133 Cb 0.70 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.31 3kke h MET 133 CO 0.00 0.15 -0.04 1.25 1.06 0.00 0.00 176.91 179.33 3kke h LEU 134 N 0.24 -0.10 -0.51 1.22 5.85 -1.10 -2.86 115.31 118.05 3kke h LEU 134 Ca 0.28 -0.04 0.10 0.00 0.84 0.00 0.00 57.88 59.06 3kke h LEU 134 Cb 0.40 0.03 -0.10 0.00 0.37 0.00 0.00 40.66 41.36 3kke h LEU 134 CO -0.37 -0.02 -0.13 0.00 -0.34 0.00 0.00 178.44 177.58 3kke h ALA 135 N 0.74 0.34 -1.00 1.25 0.00 0.21 -2.19 119.26 118.61 3kke h ALA 135 Ca -0.01 0.20 0.20 0.00 0.00 0.00 0.00 54.91 55.30 3kke h ALA 135 Cb 0.14 0.39 -0.10 0.00 0.00 0.00 0.00 17.79 18.21 3kke h ALA 135 CO 0.02 -0.44 0.62 0.00 0.00 0.00 0.00 179.25 179.45 3kke h ALA 136 N 1.51 1.81 0.00 0.00 0.00 0.24 -2.35 119.26 120.47 3kke h ALA 136 Ca 0.25 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 3kke h ALA 136 Cb 0.37 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3kke h ALA 136 CO -0.52 -0.18 -0.40 -0.39 0.00 0.00 0.00 179.25 177.75 3kke h VAL 137 N 0.67 0.29 -0.23 0.00 -1.51 -1.18 -3.26 116.25 111.02 3kke h VAL 137 Ca 0.57 -1.43 0.00 0.00 -1.23 0.00 0.00 66.70 64.61 3kke h VAL 137 Cb 1.02 2.05 0.00 0.00 -2.13 0.00 0.00 31.29 32.23 3kke h VAL 137 CO -0.35 0.16 0.00 0.18 -1.23 0.00 0.00 177.57 176.33 3kke n LEU 138 N -3.06 3.23 -4.61 4.19 4.77 -0.91 -4.66 117.00 115.96 3kke n LEU 138 Ca 0.02 -1.27 -0.43 0.00 -0.03 0.00 0.00 56.01 54.30 3kke n LEU 138 Cb 0.62 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.54 3kke n LEU 138 CO 0.37 0.63 1.66 -0.70 -1.33 0.00 0.00 177.39 178.03 3kke s GLU 139 N -1.72 3.34 0.00 3.23 2.56 -1.07 -2.50 118.70 122.55 3kke s GLU 139 Ca 0.34 1.80 0.00 0.00 0.00 0.00 0.00 54.97 57.11 3kke s GLU 139 Cb 0.22 -4.26 0.00 0.00 2.00 0.00 0.00 34.13 32.09 3kke s GLU 139 CO 0.31 -1.86 0.00 0.41 -0.56 0.00 0.00 175.26 173.57 3kke n GLY 140 N 5.45 0.83 2.94 -1.50 0.00 -1.26 -5.00 105.19 106.64 3kke n GLY 140 Ca 0.25 -0.62 -0.21 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.00 0.70 -0.34 1.61 1.01 -1.04 -4.96 120.40 115.38 3kke s VAL 141 Ca 0.00 -0.24 -0.29 0.00 0.00 0.00 0.00 61.98 61.46 3kke s VAL 141 Cb 0.00 -0.69 -0.01 0.00 0.00 0.00 0.00 36.38 35.69 3kke s VAL 141 CO 0.00 0.26 1.53 -2.84 0.00 0.00 0.00 175.10 174.05 3kke s PRO 142 N 0.75 3.61 -0.04 2.72 0.02 -1.26 -4.93 135.00 135.87 3kke s PRO 142 Ca -0.12 1.24 -0.10 0.00 0.02 0.00 0.00 61.00 62.04 3kke s PRO 142 Cb -0.14 -4.05 0.02 0.00 0.02 0.00 0.00 34.50 30.35 3kke s PRO 142 CO 0.01 -1.52 0.24 0.00 -0.33 0.00 0.00 177.00 175.40 3kke s ALA 143 N 5.58 -0.59 -0.08 -1.55 0.00 -1.26 -1.10 121.76 122.76 3kke s ALA 143 Ca 0.67 0.34 0.04 0.00 0.00 0.00 0.00 51.96 53.01 3kke s ALA 143 Cb -0.18 -0.10 -0.00 0.00 0.00 0.00 0.00 23.12 22.83 3kke s ALA 143 CO 0.31 -0.19 -0.23 0.08 0.00 0.00 0.00 175.76 175.73 3kke s VAL 144 N -0.79 1.96 0.15 0.00 1.01 -0.27 -4.70 120.40 117.76 3kke s VAL 144 Ca -0.09 -0.98 -0.23 0.00 0.00 0.00 0.00 61.98 60.68 3kke s VAL 144 Cb -0.05 -1.69 -0.08 0.00 0.00 0.00 0.00 36.38 34.57 3kke s VAL 144 CO 0.02 0.54 0.71 0.42 0.00 0.00 0.00 175.10 176.79 3kke s THR 145 N 0.23 4.49 -0.10 3.92 -4.23 -0.48 -1.25 115.64 118.22 3kke s THR 145 Ca -0.14 1.52 0.04 0.00 -1.18 0.00 0.00 61.69 61.92 3kke s THR 145 Cb -0.17 -4.04 0.00 0.00 1.34 0.00 0.00 72.50 69.64 3kke s THR 145 CO 0.07 0.49 -0.22 0.27 -0.54 0.00 0.00 174.62 174.69 3kke s ILE 146 N -1.19 1.93 -1.37 2.99 -4.36 -0.02 -1.26 121.20 117.92 3kke s ILE 146 Ca 0.35 -0.94 -0.01 0.00 -0.26 0.00 0.00 60.65 59.79 3kke s ILE 146 Cb -0.21 -1.68 0.00 0.00 1.25 0.00 0.00 42.46 41.81 3kke s ILE 146 CO 0.24 0.53 0.10 -3.20 0.24 0.00 0.00 174.94 172.84 3kke n ASN 147 N 3.65 -4.94 -3.63 4.36 5.15 -0.08 -4.33 115.26 115.43 3kke n ASN 147 Ca -0.20 -0.06 -0.05 0.00 -0.60 0.00 0.00 54.58 53.68 3kke n ASN 147 Cb 0.53 -4.00 -0.06 0.00 -0.53 0.00 0.00 39.78 35.72 3kke n ASN 147 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3kke s SER 148 N -2.36 -0.17 0.00 1.20 0.15 -1.24 -4.66 113.70 106.62 3kke s SER 148 Ca 0.05 0.27 0.04 0.00 0.70 0.00 0.00 55.95 57.01 3kke s SER 148 Cb -0.02 0.26 -0.01 0.00 -1.71 0.00 0.00 66.02 64.53 3kke s SER 148 CO 0.06 -0.09 -0.14 -0.13 1.20 0.00 0.00 173.24 174.14 3kke s ARG 149 N -0.37 1.09 -0.23 5.44 0.52 -1.26 -4.48 118.95 119.66 3kke s ARG 149 Ca 0.06 -0.56 -0.06 0.00 -0.52 0.00 0.00 55.73 54.65 3kke s ARG 149 Cb -0.03 -1.06 -0.03 0.00 0.52 0.00 0.00 34.95 34.35 3kke s ARG 149 CO -0.09 0.29 0.04 0.54 0.02 0.00 0.00 175.30 176.09 3kke s VAL 150 N -0.44 4.16 0.40 3.52 0.11 -1.26 -4.84 120.40 122.04 3kke s VAL 150 Ca 0.05 -0.23 -0.26 0.00 -2.93 0.00 0.00 61.98 58.61 3kke s VAL 150 Cb -0.06 -2.92 -0.09 0.00 -1.53 0.00 0.00 36.38 31.79 3kke s VAL 150 CO -0.00 0.38 1.24 -2.16 -3.33 0.00 0.00 175.10 171.23 3kke s PRO 151 N 1.31 4.03 0.00 1.54 0.04 -1.26 -3.23 135.00 137.44 3kke s PRO 151 Ca 0.04 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.10 3kke s PRO 151 Cb -0.15 -2.74 0.00 0.00 0.04 0.00 0.00 34.50 31.65 3kke s PRO 151 CO 0.02 -0.39 0.00 0.41 0.04 0.00 0.00 177.00 177.08 3kke n GLY 152 N 0.68 0.93 3.50 0.56 0.00 -1.26 -5.03 105.19 104.57 3kke n GLY 152 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.58 1.78 0.09 1.61 1.70 -1.20 -5.17 118.95 117.18 3kke s ARG 153 Ca 0.00 -2.03 0.05 0.00 -0.47 0.00 0.00 55.73 53.28 3kke s ARG 153 Cb 0.00 -0.91 -0.03 0.00 -0.57 0.00 0.00 34.95 33.44 3kke s ARG 153 CO 0.00 -0.26 -0.13 0.54 -1.08 0.00 0.00 175.30 174.38 3kke s VAL 154 N -3.20 1.06 0.00 4.99 0.11 -1.26 -4.86 120.40 117.24 3kke s VAL 154 Ca 0.31 -1.45 0.00 0.00 -2.93 0.00 0.00 61.98 57.91 3kke s VAL 154 Cb 0.07 -1.19 0.00 0.00 -1.53 0.00 0.00 36.38 33.73 3kke s VAL 154 CO 0.15 -0.36 0.00 0.61 -3.33 0.00 0.00 175.10 172.17 3kke n GLY 155 N 0.97 0.75 3.24 6.54 0.00 -1.25 -4.89 105.19 110.55 3kke n GLY 155 Ca -0.19 -0.64 -0.12 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.21 -0.15 -0.04 1.61 1.04 -0.79 -1.38 113.70 113.77 3kke s SER 156 Ca 0.00 -0.05 0.02 0.00 0.48 0.00 0.00 55.95 56.40 3kke s SER 156 Cb 0.00 0.33 0.01 0.00 0.10 0.00 0.00 66.02 66.46 3kke s SER 156 CO 0.00 -0.52 -0.11 -0.69 0.98 0.00 0.00 173.24 172.90 3kke s VAL 157 N -1.90 0.96 0.15 5.02 1.01 -0.39 -1.61 120.40 123.64 3kke s VAL 157 Ca -0.10 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 61.50 3kke s VAL 157 Cb -0.03 -0.87 -0.05 0.00 0.00 0.00 0.00 36.38 35.43 3kke s VAL 157 CO 0.01 0.30 -0.07 0.27 0.00 0.00 0.00 175.10 175.61 3kke s ILE 158 N 0.42 1.00 0.57 2.22 -4.36 -0.82 -0.90 121.20 119.33 3kke s ILE 158 Ca -0.08 -2.02 -0.04 0.00 -0.26 0.00 0.00 60.65 58.25 3kke s ILE 158 Cb -0.12 -1.92 0.02 0.00 1.25 0.00 0.00 42.46 41.69 3kke s ILE 158 CO 0.02 -0.68 0.85 -0.76 0.24 0.00 0.00 174.94 174.61 3kke s LEU 159 N -3.16 3.26 -1.33 0.37 1.43 -1.26 -1.44 118.68 116.54 3kke s LEU 159 Ca 0.18 0.46 -0.15 0.00 -1.03 0.00 0.00 54.13 53.59 3kke s LEU 159 Cb 0.04 -3.28 -0.00 0.00 0.03 0.00 0.00 46.19 42.98 3kke s LEU 159 CO 0.01 -1.09 2.19 -0.67 0.23 0.00 0.00 176.35 177.02 3kke n ASP 160 N -2.50 3.75 -0.24 2.29 -0.08 -1.19 -4.73 116.55 113.86 3kke n ASP 160 Ca 0.05 -2.80 -0.03 0.00 -1.51 0.00 0.00 54.79 50.51 3kke n ASP 160 Cb 0.58 -1.54 0.16 0.00 2.34 0.00 0.00 41.12 42.66 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 6.35 0.95 -0.64 1.67 3.45 -1.93 -1.76 116.42 124.51 3kke h ASP 161 Ca 0.55 -0.10 -0.04 0.00 0.43 0.00 0.00 57.03 57.88 3kke h ASP 161 Cb 0.63 -0.24 -0.03 0.00 -0.56 0.00 0.00 39.33 39.13 3kke h ASP 161 CO 1.90 0.79 0.25 1.56 -1.57 0.00 0.00 179.24 182.18 3kke h GLN 162 N 1.06 0.96 -0.35 3.56 7.50 -1.85 -1.43 115.11 124.55 3kke h GLN 162 Ca 0.26 -0.17 -0.13 0.00 0.50 0.00 0.00 58.65 59.11 3kke h GLN 162 Cb 0.08 -0.15 -0.01 0.00 0.05 0.00 0.00 27.48 27.44 3kke h GLN 162 CO -0.04 0.81 -0.30 -0.22 -1.50 0.00 0.00 178.83 177.58 3kke h LYS 163 N 0.90 0.75 0.47 1.46 3.64 -1.74 -1.57 116.57 120.48 3kke h LYS 163 Ca 0.21 -0.34 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 3kke h LYS 163 Cb 0.21 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 3kke h LYS 163 CO -0.02 0.95 -0.47 0.78 -2.27 0.00 0.00 179.45 178.43 3kke h GLY 164 N 0.95 -1.14 0.19 5.01 0.00 -0.74 0.45 103.07 107.79 3kke h GLY 164 Ca 0.08 0.54 0.17 0.00 0.00 0.00 0.00 47.33 48.12 3kke h GLY 164 CO 0.07 -0.36 0.56 -1.33 0.00 0.00 0.00 176.54 175.49 3kke h GLY 165 N -0.94 1.66 0.74 4.60 0.00 -1.27 -1.92 103.07 105.94 3kke h GLY 165 Ca -0.05 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 3kke h GLY 165 CO -0.06 -0.03 -0.00 -1.33 0.00 0.00 0.00 176.54 175.11 3kke h GLY 166 N 0.75 0.15 1.22 4.60 0.00 -0.58 -1.91 103.07 107.30 3kke h GLY 166 Ca 0.54 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.75 3kke h GLY 166 CO -0.37 0.10 0.44 -2.22 0.00 0.00 0.00 176.54 174.50 3kke h ILE 167 N -0.15 1.22 -0.08 2.60 2.04 0.28 0.45 117.51 123.87 3kke h ILE 167 Ca 0.02 -0.50 -0.01 0.00 1.00 0.00 0.00 64.86 65.38 3kke h ILE 167 Cb 0.35 0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.59 3kke h ILE 167 CO 0.00 0.23 0.01 0.00 0.00 0.00 0.00 178.15 178.40 3kke h ALA 168 N 1.44 0.11 -0.35 1.87 0.00 -1.28 -2.59 119.26 118.46 3kke h ALA 168 Ca 0.27 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.08 3kke h ALA 168 Cb -0.02 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3kke h ALA 168 CO -0.05 -0.25 0.09 1.15 0.00 0.00 0.00 179.25 180.19 3kke h THR 169 N -0.10 0.85 -0.68 0.00 2.02 -1.12 -3.04 112.91 110.84 3kke h THR 169 Ca 0.02 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.11 3kke h THR 169 Cb 0.28 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.27 3kke h THR 169 CO 0.00 0.04 0.34 -0.08 0.37 0.00 0.00 175.52 176.20 3kke h GLU 170 N 0.22 0.96 -0.99 6.66 4.57 -0.83 -0.92 114.58 124.25 3kke h GLU 170 Ca 0.16 -0.13 0.07 0.00 -1.18 0.00 0.00 59.36 58.28 3kke h GLU 170 Cb 0.17 -0.18 -0.07 0.00 -0.16 0.00 0.00 28.75 28.51 3kke h GLU 170 CO -0.20 0.75 0.64 1.25 -1.18 0.00 0.00 179.01 180.27 3kke h HIS 171 N 0.93 1.19 -0.38 0.92 2.76 -1.39 0.11 115.15 119.29 3kke h HIS 171 Ca 0.23 0.03 -0.10 0.00 -2.20 0.00 0.00 60.37 58.34 3kke h HIS 171 Cb 0.09 -0.39 -0.01 0.00 1.55 0.00 0.00 27.41 28.65 3kke h HIS 171 CO 0.00 0.61 -0.14 -0.07 -1.30 0.00 0.00 177.93 177.03 3kke h LEU 172 N 1.16 0.79 -0.19 0.26 3.38 -1.25 -2.64 115.31 116.81 3kke h LEU 172 Ca 0.43 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3kke h LEU 172 Cb 0.18 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3kke h LEU 172 CO -0.17 0.99 0.12 0.40 0.09 0.00 0.00 178.44 179.87 3kke h ILE 173 N 0.57 1.07 -0.97 1.22 2.04 -0.64 -1.87 117.51 118.92 3kke h ILE 173 Ca 0.09 -0.16 0.20 0.00 1.00 0.00 0.00 64.86 66.00 3kke h ILE 173 Cb 0.68 0.84 -0.09 0.00 -0.74 0.00 0.00 36.82 37.50 3kke h ILE 173 CO 0.05 0.07 0.62 0.74 0.00 0.00 0.00 178.15 179.62 3kke h THR 174 N 0.23 0.67 0.00 -0.27 2.02 -0.78 -1.46 112.91 113.33 3kke h THR 174 Ca 0.07 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 67.05 3kke h THR 174 Cb 0.01 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.46 3kke h THR 174 CO -0.01 0.11 0.00 0.18 0.37 0.00 0.00 175.52 176.16 3kke n LEU 175 N -4.64 0.28 0.00 2.58 4.77 -0.74 -4.88 117.00 114.37 3kke n LEU 175 Ca 0.22 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.74 3kke n LEU 175 Cb 0.66 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 3kke n LEU 175 CO 0.26 -0.20 0.00 0.61 -1.33 0.00 0.00 177.39 176.73 3kke n GLY 176 N 0.81 0.89 3.75 -0.72 0.00 -0.55 -4.06 105.19 105.31 3kke n GLY 176 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 3.54 -0.02 1.61 3.76 -1.00 -4.73 115.29 116.45 3kke s HIS 177 Ca 0.00 1.61 0.02 0.00 -0.15 0.00 0.00 55.06 56.54 3kke s HIS 177 Cb 0.00 -3.32 -0.03 0.00 1.11 0.00 0.00 32.58 30.34 3kke s HIS 177 CO 0.00 -0.72 0.00 0.43 -0.85 0.00 0.00 174.74 173.60 3kke n SER 178 N 1.79 4.31 -4.24 1.40 7.64 -1.26 -4.39 113.62 118.87 3kke n SER 178 Ca 0.01 -0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.51 3kke n SER 178 Cb 0.45 0.46 -0.12 0.00 -1.01 0.00 0.00 64.21 63.99 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 -2.06 2.51 -0.14 1.43 3.00 -1.26 -4.62 118.95 117.80 3kke s ARG 179 Ca -0.02 -1.35 0.01 0.00 0.00 0.00 0.00 55.73 54.37 3kke s ARG 179 Cb 0.01 -3.53 0.02 0.00 0.00 0.00 0.00 34.95 31.45 3kke s ARG 179 CO 0.09 -0.79 -0.18 0.42 0.00 0.00 0.00 175.30 174.84 3kke s ILE 180 N 1.35 1.77 0.64 1.52 1.01 -1.26 -1.68 121.20 124.56 3kke s ILE 180 Ca 0.01 -0.78 0.01 0.00 0.00 0.00 0.00 60.65 59.88 3kke s ILE 180 Cb -0.21 -1.61 0.09 0.00 0.01 0.00 0.00 42.46 40.74 3kke s ILE 180 CO 0.01 0.49 0.89 0.00 0.00 0.00 0.00 174.94 176.34 3kke s ALA 181 N 1.16 3.87 -0.20 9.38 0.00 -0.09 -4.93 121.76 130.96 3kke s ALA 181 Ca -0.01 -1.62 -0.05 0.00 0.00 0.00 0.00 51.96 50.28 3kke s ALA 181 Cb -0.14 -1.98 0.10 0.00 0.00 0.00 0.00 23.12 21.10 3kke s ALA 181 CO -0.07 -1.13 0.38 0.12 0.00 0.00 0.00 175.76 175.06 3kke s PHE 182 N -2.95 -0.74 -0.34 0.00 2.19 -0.37 -1.79 117.98 113.98 3kke s PHE 182 Ca 0.62 1.22 -0.14 0.00 0.33 0.00 0.00 56.93 58.96 3kke s PHE 182 Cb -0.07 0.16 -0.01 0.00 -1.31 0.00 0.00 43.02 41.78 3kke s PHE 182 CO 0.42 -0.53 0.30 0.42 1.83 0.00 0.00 175.22 177.66 3kke s ILE 183 N 2.56 5.22 0.65 3.12 1.01 -0.24 -1.21 121.20 132.32 3kke s ILE 183 Ca 0.03 -0.07 0.01 0.00 0.00 0.00 0.00 60.65 60.62 3kke s ILE 183 Cb -0.13 -3.77 0.09 0.00 0.01 0.00 0.00 42.46 38.66 3kke s ILE 183 CO -0.13 -0.05 0.91 -0.55 0.00 0.00 0.00 174.94 175.12 3kke s SER 184 N 1.73 4.70 0.80 3.58 0.15 0.71 -1.03 113.70 124.33 3kke s SER 184 Ca 0.09 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.44 3kke s SER 184 Cb -0.17 -0.25 0.00 0.00 -1.71 0.00 0.00 66.02 63.89 3kke s SER 184 CO 0.11 -1.59 0.00 0.61 1.20 0.00 0.00 173.24 173.57 3kke n GLY 185 N -2.63 -2.67 3.73 9.45 0.00 -1.26 -1.31 105.19 110.50 3kke n GLY 185 Ca 0.13 -1.39 -0.30 0.00 0.00 0.00 0.00 46.02 44.45 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 -0.80 2.92 0.25 2.61 -4.23 -1.26 -1.22 115.64 113.92 3kke s THR 186 Ca 0.00 0.30 -0.03 0.00 -1.18 0.00 0.00 61.69 60.78 3kke s THR 186 Cb 0.00 -2.72 0.22 0.00 1.34 0.00 0.00 72.50 71.34 3kke s THR 186 CO 0.00 -0.39 1.78 0.00 -0.54 0.00 0.00 174.62 175.47 3kke h ALA 187 N -1.40 1.19 -0.12 3.99 0.00 -1.91 -2.96 119.26 118.05 3kke h ALA 187 Ca -0.46 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3kke h ALA 187 Cb 1.26 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3kke h ALA 187 CO 0.51 -0.02 0.00 0.44 0.00 0.00 0.00 179.25 180.18 3kke n ILE 188 N -4.83 0.14 -3.35 0.00 -5.35 -1.26 -4.82 119.36 99.90 3kke n ILE 188 Ca 0.15 -0.31 -0.38 0.00 -0.27 0.00 0.00 62.75 61.94 3kke n ILE 188 Cb 0.35 0.38 -0.07 0.00 -1.74 0.00 0.00 39.64 38.57 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 -1.86 3.41 0.27 4.28 2.46 -1.12 -4.73 115.29 118.00 3kke s HIS 189 Ca 0.34 0.71 0.09 0.00 0.47 0.00 0.00 55.06 56.68 3kke s HIS 189 Cb 0.18 -2.56 0.36 0.00 -0.13 0.00 0.00 32.58 30.44 3kke s HIS 189 CO 0.28 0.02 1.62 0.38 -2.47 0.00 0.00 174.74 174.57 3kke h ASP 190 N 7.21 0.07 -0.60 9.88 2.03 -1.88 -2.16 116.42 130.96 3kke h ASP 190 Ca -0.37 -0.04 -0.05 0.00 -0.73 0.00 0.00 57.03 55.85 3kke h ASP 190 Cb 1.16 -0.02 -0.03 0.00 -0.83 0.00 0.00 39.33 39.62 3kke h ASP 190 CO 0.73 0.65 0.19 0.74 -1.03 0.00 0.00 179.24 180.52 3kke h THR 191 N 0.05 1.24 -0.28 1.15 2.02 -1.93 -1.60 112.91 113.56 3kke h THR 191 Ca -0.01 -0.82 -0.01 0.00 0.77 0.00 0.00 66.41 66.35 3kke h THR 191 Cb 1.06 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 3kke h THR 191 CO 0.08 0.31 0.15 0.00 0.37 0.00 0.00 175.52 176.43 3kke h ALA 192 N 1.06 0.36 -0.88 6.16 0.00 -1.84 -2.61 119.26 121.51 3kke h ALA 192 Ca 0.19 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.06 3kke h ALA 192 Cb 0.28 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 3kke h ALA 192 CO -0.01 -0.11 0.58 1.96 0.00 0.00 0.00 179.25 181.68 3kke h GLN 193 N 0.34 1.11 -0.21 0.00 1.08 -1.18 -1.02 115.11 115.23 3kke h GLN 193 Ca 0.10 -0.07 -0.11 0.00 -1.45 0.00 0.00 58.65 57.12 3kke h GLN 193 Cb 0.07 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 27.23 3kke h GLN 193 CO -0.02 0.74 -0.35 0.00 -0.95 0.00 0.00 178.83 178.25 3kke h ARG 194 N 1.15 0.45 -0.07 1.46 3.08 -1.09 -0.33 114.38 119.02 3kke h ARG 194 Ca 0.34 -0.20 -0.25 0.00 0.07 0.00 0.00 59.98 59.94 3kke h ARG 194 Cb -0.06 -0.01 0.02 0.00 0.08 0.00 0.00 29.97 30.00 3kke h ARG 194 CO -0.09 0.74 -0.92 0.00 -1.07 0.00 0.00 179.97 178.63 3kke h ARG 195 N 0.38 0.74 -0.62 0.04 3.08 -1.04 -0.56 114.38 116.40 3kke h ARG 195 Ca 0.04 -0.71 -0.00 0.00 0.07 0.00 0.00 59.98 59.38 3kke h ARG 195 Cb 0.80 0.18 -0.03 0.00 0.08 0.00 0.00 29.97 31.00 3kke h ARG 195 CO 0.06 1.29 0.37 -0.22 -1.07 0.00 0.00 179.97 180.41 3kke h LYS 196 N 0.45 0.84 -0.96 0.04 3.64 -1.09 -2.19 116.57 117.30 3kke h LYS 196 Ca -0.10 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 3kke h LYS 196 Cb 1.56 -0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 33.16 3kke h LYS 196 CO 0.18 0.61 0.61 0.93 -2.27 0.00 0.00 179.45 179.51 3kke h GLU 197 N 0.84 1.29 -0.62 1.90 5.08 -0.75 0.12 114.58 122.44 3kke h GLU 197 Ca 0.22 -0.10 0.02 0.00 -1.00 0.00 0.00 59.36 58.50 3kke h GLU 197 Cb -0.01 -0.28 -0.03 0.00 0.50 0.00 0.00 28.75 28.93 3kke h GLU 197 CO -0.04 0.88 0.41 0.78 -1.00 0.00 0.00 179.01 180.04 3kke h GLY 198 N 1.32 0.86 0.37 -3.84 0.00 -0.68 -0.34 103.07 100.76 3kke h GLY 198 Ca 0.35 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.37 3kke h GLY 198 CO -0.07 0.28 -0.01 -1.82 0.00 0.00 0.00 176.54 174.92 3kke h TYR 199 N 0.78 -0.04 -0.60 5.60 5.03 -0.64 -2.29 116.97 124.81 3kke h TYR 199 Ca 0.24 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.55 3kke h TYR 199 Cb 0.00 0.01 -0.03 0.00 1.55 0.00 0.00 36.73 38.26 3kke h TYR 199 CO -0.00 0.56 0.40 -0.07 -1.32 0.00 0.00 178.16 177.72 3kke h LEU 200 N -0.67 0.70 -0.46 2.82 3.38 -0.56 -1.93 115.31 118.59 3kke h LEU 200 Ca -0.00 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 3kke h LEU 200 Cb 0.61 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3kke h LEU 200 CO 0.01 0.51 0.14 -0.33 0.09 0.00 0.00 178.44 178.86 3kke h GLU 201 N 0.82 0.72 -0.92 1.13 5.08 -1.14 -1.27 114.58 119.00 3kke h GLU 201 Ca 0.22 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3kke h GLU 201 Cb -0.09 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.02 3kke h GLU 201 CO -0.05 0.70 0.58 1.15 -1.00 0.00 0.00 179.01 180.39 3kke h THR 202 N 0.61 1.25 0.49 1.13 2.02 -1.20 0.15 112.91 117.36 3kke h THR 202 Ca 0.15 -0.50 -0.02 0.00 0.77 0.00 0.00 66.41 66.81 3kke h THR 202 Cb 0.28 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.61 3kke h THR 202 CO -0.00 0.25 -0.23 -0.07 0.37 0.00 0.00 175.52 175.83 3kke h LEU 203 N 1.26 -0.55 -0.68 2.58 3.38 -1.18 -2.33 115.31 117.80 3kke h LEU 203 Ca 0.33 -0.06 0.15 0.00 0.09 0.00 0.00 57.88 58.39 3kke h LEU 203 Cb -0.10 0.14 -0.11 0.00 0.09 0.00 0.00 40.66 40.69 3kke h LEU 203 CO -0.07 -0.25 0.03 0.00 0.09 0.00 0.00 178.44 178.25 3kke h ALA 204 N -0.46 0.72 0.00 1.53 0.00 -0.93 -1.17 119.26 118.95 3kke h ALA 204 Ca -0.07 0.20 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3kke h ALA 204 Cb 0.58 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 3kke h ALA 204 CO 0.11 -0.39 -0.21 0.77 0.00 0.00 0.00 179.25 179.52 3kke h SER 205 N 0.14 0.00 -0.11 0.00 0.02 -0.65 -2.05 113.55 110.91 3kke h SER 205 Ca 0.36 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 3kke h SER 205 Cb 0.61 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.15 3kke h SER 205 CO -0.56 0.21 0.00 0.00 -1.14 0.00 0.00 176.83 175.34 3kke n ALA 206 N -2.35 2.50 -2.10 3.77 0.00 -0.53 -4.97 120.51 116.83 3kke n ALA 206 Ca -0.02 -0.62 -0.01 0.00 0.00 0.00 0.00 53.44 52.79 3kke n ALA 206 Cb 0.31 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.77 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 1.27 0.44 3.58 0.00 0.00 -0.67 -5.07 105.19 104.76 3kke n GLY 207 Ca 0.17 -0.83 -0.28 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.36 3.04 0.30 0.99 1.43 -0.73 -5.02 118.68 118.32 3kke s LEU 208 Ca 0.00 -0.50 0.02 0.00 -1.03 0.00 0.00 54.13 52.62 3kke s LEU 208 Cb -0.00 -1.75 -0.03 0.00 0.03 0.00 0.00 46.19 44.44 3kke s LEU 208 CO 0.00 0.12 0.47 0.00 0.23 0.00 0.00 176.35 177.18 3kke s ARG 209 N -2.68 3.47 -0.02 1.70 1.04 -1.26 -3.92 118.95 117.29 3kke s ARG 209 Ca 0.24 -0.48 -0.01 0.00 -1.04 0.00 0.00 55.73 54.44 3kke s ARG 209 Cb -0.09 -2.75 0.01 0.00 -2.04 0.00 0.00 34.95 30.07 3kke s ARG 209 CO 0.15 0.26 0.03 0.45 -0.04 0.00 0.00 175.30 176.16 3kke s SER 210 N -3.96 -0.01 -0.00 -2.89 0.15 -1.26 -4.70 113.70 101.04 3kke s SER 210 Ca 0.38 0.06 0.00 0.00 0.70 0.00 0.00 55.95 57.09 3kke s SER 210 Cb -0.09 0.03 -0.04 0.00 -1.71 0.00 0.00 66.02 64.21 3kke s SER 210 CO 0.33 -0.05 0.05 -1.83 1.20 0.00 0.00 173.24 172.95 3kke s GLU 211 N 0.34 2.96 0.41 5.44 -1.05 -1.26 -5.01 118.70 120.53 3kke s GLU 211 Ca -0.03 -0.54 0.26 0.00 -0.15 0.00 0.00 54.97 54.52 3kke s GLU 211 Cb -0.04 -2.79 1.35 0.00 -0.44 0.00 0.00 34.13 32.22 3kke s GLU 211 CO -0.01 0.64 1.63 0.00 0.95 0.00 0.00 175.26 178.47 3kke h ALA 212 N 4.17 2.53 0.00 -0.84 0.00 -2.02 0.44 119.26 123.53 3kke h ALA 212 Ca -0.49 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3kke h ALA 212 Cb 1.18 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.18 3kke h ALA 212 CO 0.60 -1.16 0.00 0.00 0.00 0.00 0.00 179.25 178.69 3kke n ALA 213 N -2.45 1.70 0.97 0.00 0.00 -1.26 -2.82 120.51 116.64 3kke n ALA 213 Ca 0.36 0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.94 3kke n ALA 213 Cb 1.32 -1.33 0.16 0.00 0.00 0.00 0.00 19.45 19.60 3kke n ALA 213 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 3kke n TRP 214 N -1.90 0.06 -3.89 0.00 8.01 0.15 -4.64 117.44 115.24 3kke n TRP 214 Ca 0.03 -0.03 -0.29 0.00 -1.31 0.00 0.00 57.50 55.90 3kke n TRP 214 Cb 0.21 0.00 -0.16 0.00 -2.01 0.00 0.00 31.31 29.35 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 -1.94 1.18 -0.17 -0.99 1.01 -1.13 -1.23 120.40 117.13 3kke s VAL 215 Ca 0.30 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.47 3kke s VAL 215 Cb 0.20 -1.43 0.03 0.00 0.00 0.00 0.00 36.38 35.18 3kke s VAL 215 CO 0.31 0.01 -0.16 -0.69 0.00 0.00 0.00 175.10 174.57 3kke s VAL 216 N 1.58 1.80 0.26 2.92 1.01 -0.35 -4.96 120.40 122.66 3kke s VAL 216 Ca -0.02 -0.85 -0.30 0.00 0.00 0.00 0.00 61.98 60.81 3kke s VAL 216 Cb -0.17 -1.70 -0.10 0.00 0.00 0.00 0.00 36.38 34.42 3kke s VAL 216 CO -0.07 0.42 1.33 -1.81 0.00 0.00 0.00 175.10 174.97 3kke s ASP 217 N 1.38 6.81 0.00 3.32 1.01 -1.26 -0.21 116.67 127.72 3kke s ASP 217 Ca 0.03 2.57 0.00 0.00 0.71 0.00 0.00 52.55 55.86 3kke s ASP 217 Cb -0.14 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.16 3kke s ASP 217 CO -0.11 -0.55 0.00 0.00 0.21 0.00 0.00 175.17 174.72 3kke n ALA 218 N 1.79 1.04 0.00 5.23 0.00 -0.35 -4.84 120.51 123.37 3kke n ALA 218 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3kke n ALA 218 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 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 0.18 0.16 0.10 0.00 0.00 -0.43 -4.01 105.19 101.19 3kke n GLY 219 Ca 0.00 -1.18 -0.02 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.56 1.61 -0.00 -1.92 -3.37 115.95 109.70 3kke h TRP 220 Ca 0.00 0.00 -0.45 0.00 -0.00 0.00 0.00 58.89 58.44 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 0.73 -0.10 -1.21 -0.00 0.00 0.00 178.44 177.86 3kke s GLU 221 N -2.83 2.92 0.12 0.49 0.41 -1.26 -1.14 118.70 117.40 3kke s GLU 221 Ca 0.01 -0.64 -0.25 0.00 -0.41 0.00 0.00 54.97 53.68 3kke s GLU 221 Cb 0.09 -2.57 -0.06 0.00 -1.78 0.00 0.00 34.13 29.81 3kke s GLU 221 CO 0.79 -0.37 1.65 0.00 -0.49 0.00 0.00 175.26 176.85 3kke h ALA 222 N 0.35 -0.28 -0.74 5.21 0.00 -1.86 -0.99 119.26 120.95 3kke h ALA 222 Ca -0.45 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.49 3kke h ALA 222 Cb 1.27 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 19.37 3kke h ALA 222 CO 0.55 -0.71 0.49 0.38 0.00 0.00 0.00 179.25 179.95 3kke h ASP 223 N -0.35 0.77 -0.33 0.00 3.04 -1.93 0.13 116.42 117.76 3kke h ASP 223 Ca 0.05 -0.01 -0.03 0.00 -3.24 0.00 0.00 57.03 53.80 3kke h ASP 223 Cb 0.41 -0.18 -0.01 0.00 -1.04 0.00 0.00 39.33 38.51 3kke h ASP 223 CO -0.18 0.53 0.08 0.00 -2.04 0.00 0.00 179.24 177.63 3kke h ALA 224 N 1.57 0.44 -0.77 4.15 0.00 -1.80 -0.65 119.26 122.20 3kke h ALA 224 Ca 0.29 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.08 3kke h ALA 224 Cb 0.05 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 3kke h ALA 224 CO -0.08 0.11 0.47 0.78 0.00 0.00 0.00 179.25 180.52 3kke h GLY 225 N 0.38 1.15 0.81 0.00 0.00 0.06 -0.96 103.07 104.50 3kke h GLY 225 Ca 0.10 -0.34 -0.04 0.00 0.00 0.00 0.00 47.33 47.06 3kke h GLY 225 CO 0.00 0.23 -0.03 1.76 0.00 0.00 0.00 176.54 178.51 3kke h SER 226 N 0.86 0.38 -0.62 0.19 0.02 -0.56 -0.97 113.55 112.85 3kke h SER 226 Ca 0.33 -0.34 -0.05 0.00 -0.84 0.00 0.00 61.79 60.89 3kke h SER 226 Cb 0.15 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 3kke h SER 226 CO -0.16 0.63 0.21 0.00 -1.14 0.00 0.00 176.83 176.36 3kke h ALA 227 N 0.76 1.13 -0.39 3.77 0.00 -0.99 -1.70 119.26 121.84 3kke h ALA 227 Ca 0.05 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 3kke h ALA 227 Cb 0.45 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3kke h ALA 227 CO 0.02 0.60 0.11 0.00 0.00 0.00 0.00 179.25 179.98 3kke h ALA 228 N 1.26 0.51 -0.18 0.00 0.00 -1.03 -1.61 119.26 118.21 3kke h ALA 228 Ca 0.21 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3kke h ALA 228 Cb 0.27 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3kke h ALA 228 CO -0.01 0.16 0.09 1.25 0.00 0.00 0.00 179.25 180.75 3kke h LEU 229 N 0.48 0.23 -0.42 0.00 7.12 -0.84 -1.07 115.31 120.81 3kke h LEU 229 Ca 0.12 -0.10 0.09 0.00 0.13 0.00 0.00 57.88 58.12 3kke h LEU 229 Cb 0.27 -0.06 -0.09 0.00 -0.53 0.00 0.00 40.66 40.26 3kke h LEU 229 CO -0.00 0.26 -0.22 0.78 -0.13 0.00 0.00 178.44 179.14 3kke h ASN 230 N 0.18 -0.74 -0.94 1.25 2.35 -1.30 -0.91 115.58 115.48 3kke h ASN 230 Ca 0.06 0.16 0.09 0.00 -0.55 0.00 0.00 56.30 56.07 3kke h ASN 230 Cb 0.09 0.39 -0.07 0.00 0.05 0.00 0.00 38.32 38.77 3kke h ASN 230 CO -0.01 -0.24 0.58 0.74 -1.65 0.00 0.00 177.43 176.85 3kke h THR 231 N -0.14 0.98 -0.24 2.81 2.02 -0.29 0.17 112.91 118.22 3kke h THR 231 Ca 0.20 -0.34 -0.12 0.00 0.77 0.00 0.00 66.41 66.92 3kke h THR 231 Cb 0.45 -0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.75 3kke h THR 231 CO -0.50 0.18 -0.35 -0.07 0.37 0.00 0.00 175.52 175.15 3kke h LEU 232 N 0.99 0.53 -0.27 2.58 3.38 -0.71 0.23 115.31 122.03 3kke h LEU 232 Ca 0.44 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 58.12 3kke h LEU 232 Cb 0.33 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3kke h LEU 232 CO -0.22 0.84 -0.11 0.22 0.09 0.00 0.00 178.44 179.27 3kke h TYR 233 N 0.43 0.63 -0.12 1.13 3.20 0.23 0.16 116.97 122.64 3kke h TYR 233 Ca 0.05 -0.15 -0.12 0.00 3.14 0.00 0.00 58.73 61.64 3kke h TYR 233 Cb 0.82 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.93 3kke h TYR 233 CO 0.03 0.79 -0.47 0.00 -1.64 0.00 0.00 178.16 176.87 3kke h ARG 234 N 0.30 0.31 0.00 1.82 2.47 -0.68 -3.36 114.38 115.24 3kke h ARG 234 Ca 0.06 -0.16 -0.07 0.00 -1.26 0.00 0.00 59.98 58.55 3kke h ARG 234 Cb 0.60 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.92 3kke h ARG 234 CO 0.03 0.71 -1.33 0.41 0.56 0.00 0.00 179.97 180.35 3kke n GLY 235 N -0.02 -0.26 0.26 0.04 0.00 0.79 -4.70 105.19 101.30 3kke n GLY 235 Ca -0.02 -0.10 0.08 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.04 2.72 -4.03 4.61 0.00 0.01 -4.98 120.51 116.79 3kke n ALA 236 Ca -0.06 -2.82 -0.26 0.00 0.00 0.00 0.00 53.44 50.29 3kke n ALA 236 Cb 0.51 -0.38 -0.08 0.00 0.00 0.00 0.00 19.45 19.50 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 -1.29 0.76 -4.57 0.00 4.13 -1.19 -4.03 115.26 109.07 3kke n ASN 237 Ca 0.17 -1.07 -0.39 0.00 1.68 0.00 0.00 54.58 54.96 3kke n ASN 237 Cb 0.66 -1.33 0.03 0.00 -1.54 0.00 0.00 39.78 37.60 3kke n ASN 237 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 3kke n LEU 238 N -4.02 2.33 -1.54 3.41 7.94 -0.98 -2.12 117.00 122.02 3kke n LEU 238 Ca -0.27 0.87 -0.13 0.00 -1.11 0.00 0.00 56.01 55.37 3kke n LEU 238 Cb 0.59 -1.30 -0.05 0.00 0.53 0.00 0.00 43.42 43.19 3kke n LEU 238 CO 0.71 -2.10 -0.13 0.61 -1.11 0.00 0.00 177.39 175.37 3kke n GLY 239 N 1.41 0.93 3.14 -3.96 0.00 -1.02 -4.85 105.19 100.85 3kke n GLY 239 Ca 0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 3kke n GLY 239 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kke s LYS 240 N -3.38 0.85 0.01 1.61 0.00 -0.90 -4.99 119.74 112.94 3kke s LYS 240 Ca 0.00 -1.37 -0.03 0.00 0.00 0.00 0.00 55.97 54.58 3kke s LYS 240 Cb 0.00 0.24 -0.01 0.00 0.00 0.00 0.00 37.83 38.06 3kke s LYS 240 CO 0.00 -0.23 0.15 -0.35 0.00 0.00 0.00 175.35 174.92 3kke n PRO 241 N -0.04 -0.04 0.14 1.78 -0.05 -1.26 0.39 135.00 135.91 3kke n PRO 241 Ca -0.08 0.14 0.10 0.00 -0.05 0.00 0.00 63.50 63.61 3kke n PRO 241 Cb 0.63 -0.21 0.05 0.00 -0.05 0.00 0.00 33.50 33.91 3kke n PRO 241 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 175.50 175.83 3kke h ASP 242 N 0.00 0.00 -4.44 3.54 -0.00 -1.93 -3.49 116.42 110.10 3kke h ASP 242 Ca 0.01 0.00 -0.47 0.00 -0.00 0.00 0.00 57.03 56.57 3kke h ASP 242 Cb 0.03 0.00 0.11 0.00 -0.00 0.00 0.00 39.33 39.47 3kke h ASP 242 CO -0.08 0.11 0.36 -0.83 -0.00 0.00 0.00 179.24 178.80 3kke s GLY 243 N -4.37 1.59 0.43 7.15 0.00 0.16 -5.00 107.32 107.28 3kke s GLY 243 Ca 0.02 -0.55 -0.24 0.00 0.00 0.00 0.00 44.72 43.95 3kke s GLY 243 CO 0.75 -0.05 0.96 -1.55 0.00 0.00 0.00 173.10 173.21 3kke n PRO 244 N -3.48 1.24 0.00 2.90 -0.04 -1.26 -4.71 135.00 129.65 3kke n PRO 244 Ca 0.07 0.45 0.09 0.00 -0.04 0.00 0.00 63.50 64.07 3kke n PRO 244 Cb 0.60 -2.00 0.05 0.00 -0.04 0.00 0.00 33.50 32.11 3kke n PRO 244 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3kke n THR 245 N -0.60 0.00 -3.63 0.52 -2.24 -0.68 -2.43 114.28 105.23 3kke n THR 245 Ca 0.10 -0.44 -0.11 0.00 -2.27 0.00 0.00 64.05 61.33 3kke n THR 245 Cb 0.40 1.32 -0.05 0.00 -2.10 0.00 0.00 70.33 69.90 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 -1.70 -0.98 -0.09 6.98 0.00 -1.20 -2.32 121.76 122.45 3kke s ALA 246 Ca 0.19 0.05 -0.06 0.00 0.00 0.00 0.00 51.96 52.14 3kke s ALA 246 Cb 0.15 0.64 0.03 0.00 0.00 0.00 0.00 23.12 23.94 3kke s ALA 246 CO 0.30 -0.62 0.21 0.54 0.00 0.00 0.00 175.76 176.20 3kke s VAL 247 N -3.57 -0.02 -0.15 0.00 0.11 -0.57 -0.91 120.40 115.29 3kke s VAL 247 Ca 0.01 0.08 -0.05 0.00 -2.93 0.00 0.00 61.98 59.09 3kke s VAL 247 Cb 0.01 -0.32 -0.04 0.00 -1.53 0.00 0.00 36.38 34.51 3kke s VAL 247 CO -0.10 0.03 0.03 -0.69 -3.33 0.00 0.00 175.10 171.04 3kke s VAL 248 N 0.69 4.57 -0.08 2.04 1.01 -0.74 -2.22 120.40 125.67 3kke s VAL 248 Ca -0.05 -0.13 0.05 0.00 0.00 0.00 0.00 61.98 61.85 3kke s VAL 248 Cb -0.06 -3.01 -0.01 0.00 0.00 0.00 0.00 36.38 33.30 3kke s VAL 248 CO -0.04 0.51 -0.23 -0.69 0.00 0.00 0.00 175.10 174.66 3kke s VAL 249 N -0.04 2.20 0.28 2.92 1.01 0.15 -1.07 120.40 125.84 3kke s VAL 249 Ca 0.05 -0.99 0.11 0.00 0.00 0.00 0.00 61.98 61.14 3kke s VAL 249 Cb -0.12 -1.83 -0.01 0.00 0.00 0.00 0.00 36.38 34.41 3kke s VAL 249 CO 0.01 0.56 1.63 0.00 0.00 0.00 0.00 175.10 177.31 3kke h ALA 250 N 6.35 1.01 -2.61 5.51 0.00 -1.39 -1.67 119.26 126.46 3kke h ALA 250 Ca -0.27 -0.54 -0.22 0.00 0.00 0.00 0.00 54.91 53.88 3kke h ALA 250 Cb 1.20 -0.10 -0.17 0.00 0.00 0.00 0.00 17.79 18.72 3kke h ALA 250 CO 0.48 0.74 -0.71 0.45 0.00 0.00 0.00 179.25 180.22 3kke s SER 251 N -6.84 0.89 0.16 0.00 0.15 -1.26 -4.25 113.70 102.54 3kke s SER 251 Ca -0.01 -0.81 -0.13 0.00 0.70 0.00 0.00 55.95 55.69 3kke s SER 251 Cb 0.13 0.09 0.04 0.00 -1.71 0.00 0.00 66.02 64.57 3kke s SER 251 CO 0.76 -0.38 1.67 1.62 1.20 0.00 0.00 173.24 178.11 3kke h VAL 252 N 3.63 1.24 -0.71 4.45 3.04 -1.53 -2.05 116.25 124.32 3kke h VAL 252 Ca -0.35 -0.81 -0.01 0.00 -1.01 0.00 0.00 66.70 64.52 3kke h VAL 252 Cb 1.18 0.77 -0.03 0.00 -2.01 0.00 0.00 31.29 31.20 3kke h VAL 252 CO 0.55 0.30 0.41 0.78 -1.01 0.00 0.00 177.57 178.60 3kke h ASN 253 N 0.72 0.87 -0.97 3.17 2.35 -1.90 0.69 115.58 120.52 3kke h ASN 253 Ca 0.17 -0.08 0.04 0.00 -0.55 0.00 0.00 56.30 55.88 3kke h ASN 253 Cb 0.30 -0.22 -0.06 0.00 0.05 0.00 0.00 38.32 38.39 3kke h ASN 253 CO -0.00 0.70 0.63 0.00 -1.65 0.00 0.00 177.43 177.11 3kke h ALA 254 N 1.21 1.39 -0.19 -0.83 0.00 -0.86 -1.59 119.26 118.39 3kke h ALA 254 Ca 0.25 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 3kke h ALA 254 Cb 0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3kke h ALA 254 CO -0.04 0.50 -0.26 0.00 0.00 0.00 0.00 179.25 179.44 3kke h ALA 255 N 1.45 1.20 -0.38 0.00 0.00 -0.34 0.24 119.26 121.43 3kke h ALA 255 Ca 0.39 -0.33 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 3kke h ALA 255 Cb 0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3kke h ALA 255 CO -0.13 0.52 -0.33 0.28 0.00 0.00 0.00 179.25 179.58 3kke h VAL 256 N 0.32 1.28 -0.78 0.00 2.07 -0.15 -0.93 116.25 118.04 3kke h VAL 256 Ca 0.05 -1.50 -0.04 0.00 0.82 0.00 0.00 66.70 66.02 3kke h VAL 256 Cb 0.63 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 3kke h VAL 256 CO 0.05 0.50 0.31 1.23 0.02 0.00 0.00 177.57 179.68 3kke h GLY 257 N 0.87 1.26 1.13 2.17 0.00 -0.99 -2.07 103.07 105.44 3kke h GLY 257 Ca 0.07 -0.68 -0.17 0.00 0.00 0.00 0.00 47.33 46.54 3kke h GLY 257 CO 0.08 0.64 -0.47 0.00 0.00 0.00 0.00 176.54 176.79 3kke h ALA 258 N 1.16 0.50 -0.08 3.60 0.00 -0.61 -1.00 119.26 122.84 3kke h ALA 258 Ca 0.26 -0.49 0.04 0.00 0.00 0.00 0.00 54.91 54.72 3kke h ALA 258 Cb 0.21 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3kke h ALA 258 CO -0.02 0.67 -0.16 1.25 0.00 0.00 0.00 179.25 180.98 3kke h LEU 259 N 0.70 -0.49 -0.98 0.00 5.85 -1.15 -1.35 115.31 117.89 3kke h LEU 259 Ca 0.03 0.08 -0.11 0.00 0.84 0.00 0.00 57.88 58.73 3kke h LEU 259 Cb 1.08 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.32 3kke h LEU 259 CO 0.11 -0.21 -0.48 0.28 -0.34 0.00 0.00 178.44 177.79 3kke h SER 260 N -0.23 0.07 -0.26 1.25 0.02 -1.24 -1.34 113.55 111.83 3kke h SER 260 Ca 0.08 -0.03 -0.15 0.00 -0.84 0.00 0.00 61.79 60.84 3kke h SER 260 Cb 0.34 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.86 3kke h SER 260 CO -0.21 0.54 -0.44 0.74 -1.14 0.00 0.00 176.83 176.32 3kke h THR 261 N 0.06 1.30 -0.81 -2.27 2.02 -1.09 -2.27 112.91 109.85 3kke h THR 261 Ca -0.00 -1.64 -0.02 0.00 0.77 0.00 0.00 66.41 65.53 3kke h THR 261 Cb 0.87 1.70 -0.04 0.00 -1.74 0.00 0.00 68.15 68.95 3kke h THR 261 CO 0.07 0.52 0.44 0.00 0.37 0.00 0.00 175.52 176.93 3kke h ALA 262 N 0.66 1.03 -0.38 6.16 0.00 -0.74 -1.48 119.26 124.51 3kke h ALA 262 Ca 0.02 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 3kke h ALA 262 Cb 1.04 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3kke h ALA 262 CO 0.10 0.54 -0.26 -0.07 0.00 0.00 0.00 179.25 179.56 3kke h LEU 263 N 1.12 0.79 -1.16 0.00 3.38 -1.25 -1.10 115.31 117.08 3kke h LEU 263 Ca 0.28 -0.30 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 3kke h LEU 263 Cb 0.03 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 3kke h LEU 263 CO -0.05 1.01 -0.05 -0.09 0.09 0.00 0.00 178.44 179.35 3kke h ARG 264 N 0.67 0.52 0.00 1.13 2.43 -1.13 -1.63 114.38 116.37 3kke h ARG 264 Ca 0.09 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3kke h ARG 264 Cb 0.78 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 3kke h ARG 264 CO 0.06 0.59 0.00 1.28 -1.51 0.00 0.00 179.97 180.39 3kke n LEU 265 N -4.25 0.68 0.00 3.80 4.77 -0.58 -4.90 117.00 116.52 3kke n LEU 265 Ca 0.01 0.61 0.00 0.00 -0.03 0.00 0.00 56.01 56.60 3kke n LEU 265 Cb 0.28 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 3kke n LEU 265 CO 0.40 -0.36 0.00 0.61 -1.33 0.00 0.00 177.39 176.70 3kke n GLY 266 N 0.63 0.70 3.73 -0.72 0.00 -0.61 -5.06 105.19 103.86 3kke n GLY 266 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 4.40 0.14 0.99 1.43 -0.44 -4.99 118.68 120.20 3kke s LEU 267 Ca 0.00 2.46 -0.28 0.00 -1.03 0.00 0.00 54.13 55.28 3kke s LEU 267 Cb 0.00 -3.61 -0.07 0.00 0.03 0.00 0.00 46.19 42.54 3kke s LEU 267 CO 0.00 -0.60 0.89 -0.13 0.23 0.00 0.00 176.35 176.74 3kke s ARG 268 N 0.09 4.68 -0.13 1.70 0.52 -1.26 -4.12 118.95 120.43 3kke s ARG 268 Ca 0.59 1.35 0.02 0.00 -0.52 0.00 0.00 55.73 57.17 3kke s ARG 268 Cb -0.38 -3.33 0.00 0.00 0.52 0.00 0.00 34.95 31.76 3kke s ARG 268 CO 0.38 0.35 -0.21 0.08 0.02 0.00 0.00 175.30 175.92 3kke s VAL 269 N -0.47 2.24 -2.55 3.52 1.01 -1.26 -0.74 120.40 122.15 3kke s VAL 269 Ca 0.42 -0.93 0.25 0.00 0.00 0.00 0.00 61.98 61.73 3kke s VAL 269 Cb -0.23 -1.90 0.45 0.00 0.00 0.00 0.00 36.38 34.69 3kke s VAL 269 CO 0.29 0.54 1.57 -0.81 0.00 0.00 0.00 175.10 176.69 3kke n PRO 270 N 3.92 1.89 -0.00 2.72 -0.04 -1.26 -4.91 135.00 137.31 3kke n PRO 270 Ca -0.19 -1.30 -0.12 0.00 -0.04 0.00 0.00 63.50 61.85 3kke n PRO 270 Cb 0.52 -1.46 -0.07 0.00 -0.04 0.00 0.00 33.50 32.45 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 2.98 0.09 0.00 0.54 3.07 -1.90 -2.84 114.58 116.53 3kke h GLU 271 Ca 0.00 -0.02 -0.14 0.00 -0.50 0.00 0.00 59.36 58.71 3kke h GLU 271 Cb 0.64 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.51 3kke h GLU 271 CO 0.00 0.25 -0.80 -0.44 -1.40 0.00 0.00 179.01 176.61 3kke h ASP 272 N -0.08 0.00 -2.43 1.42 3.45 -1.31 -3.47 116.42 114.00 3kke h ASP 272 Ca 0.02 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.47 3kke h ASP 272 Cb 0.19 0.00 -0.23 0.00 -0.56 0.00 0.00 39.33 38.73 3kke h ASP 272 CO -0.00 0.58 -0.21 -0.22 -1.57 0.00 0.00 179.24 177.82 3kke s LEU 273 N -6.31 -0.85 0.24 1.55 2.96 -0.93 -4.48 118.68 110.86 3kke s LEU 273 Ca 0.02 1.30 -0.18 0.00 -0.22 0.00 0.00 54.13 55.04 3kke s LEU 273 Cb 0.08 1.89 -0.08 0.00 0.50 0.00 0.00 46.19 48.58 3kke s LEU 273 CO 0.77 -0.22 0.72 -0.44 -1.32 0.00 0.00 176.35 175.85 3kke s SER 274 N 2.49 6.99 -0.03 3.68 0.01 -0.98 -4.09 113.70 121.77 3kke s SER 274 Ca -0.05 1.37 0.01 0.00 1.31 0.00 0.00 55.95 58.59 3kke s SER 274 Cb -0.11 -2.40 0.02 0.00 0.21 0.00 0.00 66.02 63.74 3kke s SER 274 CO -0.16 -0.01 -0.01 -0.63 0.41 0.00 0.00 173.24 172.83 3kke s ILE 275 N -1.61 0.27 -0.05 1.44 1.01 0.71 -1.52 121.20 121.45 3kke s ILE 275 Ca 0.45 0.03 0.04 0.00 0.00 0.00 0.00 60.65 61.16 3kke s ILE 275 Cb -0.15 -0.34 0.00 0.00 0.01 0.00 0.00 42.46 41.98 3kke s ILE 275 CO 0.20 0.16 -0.17 -0.69 0.00 0.00 0.00 174.94 174.44 3kke s VAL 276 N 0.94 1.43 0.19 2.92 1.01 -0.94 -4.12 120.40 121.82 3kke s VAL 276 Ca -0.10 -0.70 0.07 0.00 0.00 0.00 0.00 61.98 61.25 3kke s VAL 276 Cb -0.13 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 3kke s VAL 276 CO -0.01 0.41 0.03 -0.83 0.00 0.00 0.00 175.10 174.71 3kke s GLY 277 N 0.18 1.70 -0.12 4.51 0.00 -0.64 -0.67 107.32 112.26 3kke s GLY 277 Ca -0.07 -1.38 -0.06 0.00 0.00 0.00 0.00 44.72 43.22 3kke s GLY 277 CO 0.03 -1.40 0.08 -0.42 0.00 0.00 0.00 173.10 171.39 3kke s ILE 278 N -1.82 4.98 0.19 0.90 1.01 -0.63 -1.69 121.20 124.14 3kke s ILE 278 Ca 0.29 0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.95 3kke s ILE 278 Cb -0.09 -3.17 0.00 0.00 0.01 0.00 0.00 42.46 39.21 3kke s ILE 278 CO 0.20 0.58 0.00 0.59 0.00 0.00 0.00 174.94 176.30 3kke n ASN 279 N 2.41 -3.34 -3.79 3.58 3.02 0.19 -1.59 115.26 115.73 3kke n ASN 279 Ca -0.19 0.41 -0.13 0.00 -0.03 0.00 0.00 54.58 54.65 3kke n ASN 279 Cb 0.54 -1.81 -0.12 0.00 -0.61 0.00 0.00 39.78 37.78 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 -2.54 -0.00 0.25 3.41 2.01 -1.26 -4.24 115.64 113.27 3kke s THR 280 Ca 0.00 0.01 0.02 0.00 0.31 0.00 0.00 61.69 62.03 3kke s THR 280 Cb 0.00 -0.34 -0.04 0.00 0.01 0.00 0.00 72.50 72.14 3kke s THR 280 CO 0.00 0.00 0.19 0.42 -0.69 0.00 0.00 174.62 174.54 3kke s THR 281 N 0.17 0.00 0.51 -0.82 -4.23 -1.26 -5.01 115.64 104.99 3kke s THR 281 Ca -0.00 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 58.72 3kke s THR 281 Cb -0.02 -2.50 0.35 0.00 1.34 0.00 0.00 72.50 71.67 3kke s THR 281 CO 0.00 0.00 2.03 4.11 -0.54 0.00 0.00 174.62 180.22 3kke h TRP 282 N 2.43 0.09 -0.14 3.99 5.08 -1.98 -2.41 115.95 123.01 3kke h TRP 282 Ca -0.32 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 59.62 3kke h TRP 282 Cb 1.24 -0.03 -0.00 0.00 -3.00 0.00 0.00 29.16 27.37 3kke h TRP 282 CO 0.89 0.04 -0.06 0.28 -1.28 0.00 0.00 178.44 178.31 3kke h VAL 283 N 0.08 1.31 -0.13 0.12 2.07 -1.98 -0.56 116.25 117.16 3kke h VAL 283 Ca 0.20 -1.09 -0.08 0.00 0.82 0.00 0.00 66.70 66.55 3kke h VAL 283 Cb 0.67 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 3kke h VAL 283 CO -0.02 0.32 -0.27 0.77 0.02 0.00 0.00 177.57 178.39 3kke h SER 284 N -0.05 0.23 1.86 0.57 4.64 -1.82 -1.34 113.55 117.64 3kke h SER 284 Ca 0.03 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3kke h SER 284 Cb 0.52 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3kke h SER 284 CO 0.02 0.51 0.00 0.44 -0.87 0.00 0.00 176.83 176.93 3kke h ASP 285 N 0.21 0.00 0.02 4.97 3.32 -1.36 0.30 116.42 123.88 3kke h ASP 285 Ca 0.03 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.74 3kke h ASP 285 Cb 0.59 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.10 3kke h ASP 285 CO 0.04 0.00 -1.89 0.41 -1.72 0.00 0.00 179.24 176.08 3kke n THR 286 N -2.99 1.56 -0.73 0.35 -1.04 -0.23 -4.85 114.28 106.36 3kke n THR 286 Ca 0.04 -0.28 -0.32 0.00 -2.04 0.00 0.00 64.05 61.45 3kke n THR 286 Cb 0.50 -1.89 0.15 0.00 -1.82 0.00 0.00 70.33 67.26 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 -4.14 0.00 -4.13 12.58 0.24 -0.67 -4.83 118.33 117.37 3kke n VAL 287 Ca -0.41 -0.21 -0.26 0.00 -2.04 0.00 0.00 64.34 61.42 3kke n VAL 287 Cb 0.83 -0.68 -0.17 0.00 -1.47 0.00 0.00 33.84 32.35 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 -2.38 1.43 0.35 6.34 5.04 -1.26 -1.81 117.35 125.06 3kke s TYR 288 Ca 0.58 -0.64 -0.27 0.00 -2.44 0.00 0.00 57.07 54.30 3kke s TYR 288 Cb -0.19 -1.15 -0.09 0.00 0.35 0.00 0.00 41.96 40.88 3kke s TYR 288 CO 0.66 -0.42 1.21 -1.25 -1.34 0.00 0.00 175.55 174.41 3kke s PRO 289 N 1.35 4.29 0.27 4.97 0.04 -1.26 -5.11 135.00 139.54 3kke s PRO 289 Ca -0.02 1.99 -0.29 0.00 0.04 0.00 0.00 61.00 62.71 3kke s PRO 289 Cb -0.14 -2.94 -0.10 0.00 0.04 0.00 0.00 34.50 31.37 3kke s PRO 289 CO -0.04 -0.17 1.29 0.00 0.04 0.00 0.00 177.00 178.12 3kke s ALA 290 N -1.25 3.50 -0.07 8.56 0.00 -0.75 -4.82 121.76 126.94 3kke s ALA 290 Ca 0.51 1.15 -0.30 0.00 0.00 0.00 0.00 51.96 53.33 3kke s ALA 290 Cb -0.35 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.28 3kke s ALA 290 CO 0.45 -0.53 1.18 -0.51 0.00 0.00 0.00 175.76 176.35 3kke s LEU 291 N -0.98 4.26 0.14 0.00 1.43 0.11 -1.18 118.68 122.46 3kke s LEU 291 Ca 0.52 1.77 -0.31 0.00 -1.03 0.00 0.00 54.13 55.08 3kke s LEU 291 Cb -0.37 -3.56 -0.09 0.00 0.03 0.00 0.00 46.19 42.20 3kke s LEU 291 CO 0.45 -0.59 1.48 -0.89 0.23 0.00 0.00 176.35 177.03 3kke s THR 292 N 2.32 2.95 0.13 5.49 2.01 -1.26 -4.65 115.64 122.63 3kke s THR 292 Ca 0.55 0.69 -0.02 0.00 0.31 0.00 0.00 61.69 63.22 3kke s THR 292 Cb -0.24 -3.44 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 3kke s THR 292 CO 0.21 0.06 0.08 0.42 -0.69 0.00 0.00 174.62 174.69 3kke s THR 293 N 1.07 0.10 -0.28 -0.82 -4.23 -1.11 -1.63 115.64 108.75 3kke s THR 293 Ca 0.67 -1.85 -0.03 0.00 -1.18 0.00 0.00 61.69 59.29 3kke s THR 293 Cb -0.40 -2.00 0.03 0.00 1.34 0.00 0.00 72.50 71.46 3kke s THR 293 CO 0.31 -0.47 0.00 -0.69 -0.54 0.00 0.00 174.62 173.24 3kke s VAL 294 N -4.03 3.26 -0.07 2.29 1.01 -0.68 -0.26 120.40 121.91 3kke s VAL 294 Ca 0.23 -1.04 -0.27 0.00 0.00 0.00 0.00 61.98 60.90 3kke s VAL 294 Cb 0.07 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 3kke s VAL 294 CO 0.01 0.06 0.86 -0.60 0.00 0.00 0.00 175.10 175.43 3kke s ARG 295 N 1.36 4.45 0.15 2.72 3.52 0.16 0.53 118.95 131.84 3kke s ARG 295 Ca -0.01 1.16 0.05 0.00 -0.13 0.00 0.00 55.73 56.81 3kke s ARG 295 Cb -0.18 -3.49 -0.04 0.00 -1.56 0.00 0.00 34.95 29.69 3kke s ARG 295 CO -0.01 -0.09 0.08 -0.51 -0.81 0.00 0.00 175.30 173.96 3kke s LEU 296 N 1.26 3.64 -1.37 -0.88 1.43 -1.26 -0.44 118.68 121.06 3kke s LEU 296 Ca 0.44 -0.19 -0.16 0.00 -1.03 0.00 0.00 54.13 53.19 3kke s LEU 296 Cb -0.19 -2.28 0.06 0.00 0.03 0.00 0.00 46.19 43.81 3kke s LEU 296 CO 0.21 0.09 1.97 -0.81 0.23 0.00 0.00 176.35 178.04 3kke n PRO 297 N -0.14 3.05 0.09 1.29 -0.04 -1.26 -4.74 135.00 133.26 3kke n PRO 297 Ca -0.09 -2.98 -0.04 0.00 -0.04 0.00 0.00 63.50 60.34 3kke n PRO 297 Cb 0.54 -3.36 0.13 0.00 -0.04 0.00 0.00 33.50 30.77 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 11.07 0.22 0.11 1.53 3.38 -1.96 -2.14 115.31 127.52 3kke h LEU 298 Ca 0.50 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.34 3kke h LEU 298 Cb 0.75 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3kke h LEU 298 CO 1.66 0.78 -0.05 -0.61 0.09 0.00 0.00 178.44 180.31 3kke h GLN 299 N 0.14 -0.14 -0.79 1.13 4.15 -1.85 -2.07 115.11 115.67 3kke h GLN 299 Ca -0.01 0.01 0.13 0.00 0.77 0.00 0.00 58.65 59.55 3kke h GLN 299 Cb 1.12 0.03 -0.09 0.00 0.21 0.00 0.00 27.48 28.75 3kke h GLN 299 CO 0.09 0.23 0.39 -0.09 -1.93 0.00 0.00 178.83 177.52 3kke h ARG 300 N -0.54 0.57 -0.65 1.69 9.65 -1.87 -0.63 114.38 122.60 3kke h ARG 300 Ca -0.01 -0.03 0.09 0.00 -1.10 0.00 0.00 59.98 58.92 3kke h ARG 300 Cb 0.43 -0.13 -0.07 0.00 -1.39 0.00 0.00 29.97 28.82 3kke h ARG 300 CO 0.02 0.38 0.29 1.25 2.80 0.00 0.00 179.97 184.71 3kke h LEU 301 N 0.59 0.35 0.04 3.80 5.85 -1.13 -0.49 115.31 124.31 3kke h LEU 301 Ca 0.42 0.07 0.00 0.00 0.84 0.00 0.00 57.88 59.21 3kke h LEU 301 Cb 0.56 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.60 3kke h LEU 301 CO -0.34 0.21 -0.03 1.23 -0.34 0.00 0.00 178.44 179.16 3kke h GLY 302 N 0.51 -0.07 0.31 3.75 0.00 -0.45 -1.25 103.07 105.87 3kke h GLY 302 Ca 0.32 0.03 0.06 0.00 0.00 0.00 0.00 47.33 47.74 3kke h GLY 302 CO -0.28 -0.03 -0.16 0.83 0.00 0.00 0.00 176.54 176.90 3kke h GLU 303 N -0.08 -0.15 -0.17 4.80 5.08 -0.33 -1.56 114.58 122.18 3kke h GLU 303 Ca -0.00 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 3kke h GLU 303 Cb 0.07 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 3kke h GLU 303 CO -0.00 -0.10 0.02 0.28 -1.00 0.00 0.00 179.01 178.21 3kke h VAL 304 N -0.15 1.23 -0.51 3.13 2.07 -1.07 0.02 116.25 120.97 3kke h VAL 304 Ca 0.13 -0.76 0.03 0.00 0.82 0.00 0.00 66.70 66.93 3kke h VAL 304 Cb 0.35 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 3kke h VAL 304 CO -0.32 0.23 0.28 0.00 0.02 0.00 0.00 177.57 177.78 3kke h ALA 305 N 0.80 0.66 -0.30 1.67 0.00 -1.09 0.11 119.26 121.10 3kke h ALA 305 Ca 0.05 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3kke h ALA 305 Cb 0.33 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3kke h ALA 305 CO 0.00 -0.04 0.05 0.00 0.00 0.00 0.00 179.25 179.27 3kke h ALA 306 N 1.25 1.53 -0.12 0.00 0.00 -1.03 -1.45 119.26 119.45 3kke h ALA 306 Ca 0.22 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 3kke h ALA 306 Cb 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3kke h ALA 306 CO -0.13 0.35 -0.33 -0.44 0.00 0.00 0.00 179.25 178.70 3kke h ASP 307 N 0.43 0.50 -0.35 0.00 3.32 0.68 -1.87 116.42 119.13 3kke h ASP 307 Ca 0.10 -0.59 -0.06 0.00 0.02 0.00 0.00 57.03 56.51 3kke h ASP 307 Cb 0.20 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 3kke h ASP 307 CO -0.00 1.00 0.04 0.58 -1.72 0.00 0.00 179.24 179.14 3kke h VAL 308 N 0.02 1.22 0.43 -1.35 2.07 -0.73 -2.15 116.25 115.75 3kke h VAL 308 Ca -0.01 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.65 3kke h VAL 308 Cb 0.94 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 3kke h VAL 308 CO 0.07 0.30 -0.20 0.25 0.02 0.00 0.00 177.57 178.01 3kke h LEU 309 N 0.65 -0.48 -1.62 2.57 5.85 -1.26 -2.78 115.31 118.24 3kke h LEU 309 Ca 0.14 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 3kke h LEU 309 Cb 0.35 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 3kke h LEU 309 CO 0.01 -0.14 -0.15 0.24 -0.34 0.00 0.00 178.44 178.05 3kke h MET 310 N -0.86 0.05 -0.01 1.25 2.86 -1.21 -0.82 114.93 116.19 3kke h MET 310 Ca -0.06 -0.01 -0.23 0.00 -2.06 0.00 0.00 59.70 57.34 3kke h MET 310 Cb 0.56 -0.01 0.01 0.00 0.06 0.00 0.00 31.60 32.21 3kke h MET 310 CO 0.10 0.21 -0.94 0.93 1.06 0.00 0.00 176.91 178.26 3kke h GLU 311 N 0.05 0.48 -0.80 1.72 5.08 -1.51 -2.94 114.58 116.67 3kke h GLU 311 Ca 0.01 -0.50 0.02 0.00 -1.00 0.00 0.00 59.36 57.88 3kke h GLU 311 Cb 0.30 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 3kke h GLU 311 CO 0.02 1.15 0.53 1.25 -1.00 0.00 0.00 179.01 180.95 3kke h HIS 312 N 0.28 0.98 0.00 4.33 2.76 -1.00 -0.59 115.15 121.91 3kke h HIS 312 Ca -0.09 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.09 3kke h HIS 312 Cb 1.58 -0.33 -0.00 0.00 1.55 0.00 0.00 27.41 30.21 3kke h HIS 312 CO 0.07 0.60 -0.07 -0.07 -1.30 0.00 0.00 177.93 177.16 3kke h LEU 313 N 1.05 0.00 -3.82 0.26 3.38 -1.10 -2.54 115.31 112.53 3kke h LEU 313 Ca 0.30 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.82 3kke h LEU 313 Cb -0.07 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 40.43 3kke h LEU 313 CO -0.07 0.07 0.45 0.61 0.09 0.00 0.00 178.44 179.58 3kke n GLY 314 N -1.07 4.83 0.00 0.83 0.00 -0.27 -4.97 105.19 104.54 3kke n GLY 314 Ca -0.02 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.68 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 -1.11 2.96 3.72 -0.02 0.00 -0.96 -5.01 105.19 104.77 3kke n GLY 315 Ca 0.53 -0.67 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 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 0.00 2.02 0.72 1.61 1.70 -0.96 -4.93 118.95 119.10 3kke s ARG 316 Ca 0.00 1.77 -0.11 0.00 -0.47 0.00 0.00 55.73 56.92 3kke s ARG 316 Cb 0.00 -1.82 0.02 0.00 -0.57 0.00 0.00 34.95 32.58 3kke s ARG 316 CO 0.00 -1.93 1.07 0.00 -1.08 0.00 0.00 175.30 173.37 3kke s ALA 317 N -2.01 2.66 0.25 7.88 0.00 -1.26 -3.86 121.76 125.42 3kke s ALA 317 Ca 0.74 -0.12 -0.19 0.00 0.00 0.00 0.00 51.96 52.39 3kke s ALA 317 Cb -0.29 -3.11 -0.08 0.00 0.00 0.00 0.00 23.12 19.63 3kke s ALA 317 CO 0.47 -1.27 0.74 -0.51 0.00 0.00 0.00 175.76 175.18 3kke s LEU 318 N -5.52 4.28 0.03 0.00 1.43 -1.26 -4.69 118.68 112.95 3kke s LEU 318 Ca 0.58 1.41 0.05 0.00 -1.03 0.00 0.00 54.13 55.15 3kke s LEU 318 Cb -0.13 -3.71 -0.02 0.00 0.03 0.00 0.00 46.19 42.36 3kke s LEU 318 CO 0.54 -0.02 -0.15 0.42 0.23 0.00 0.00 176.35 177.37 3kke s THR 319 N -1.62 1.19 -0.41 5.49 -4.23 -1.26 -4.68 115.64 110.12 3kke s THR 319 Ca 0.46 -0.95 -0.19 0.00 -1.18 0.00 0.00 61.69 59.83 3kke s THR 319 Cb -0.15 -1.06 0.02 0.00 1.34 0.00 0.00 72.50 72.65 3kke s THR 319 CO 0.20 0.09 0.52 -1.81 -0.54 0.00 0.00 174.62 173.08 3kke s ASP 320 N -0.99 6.26 0.10 3.99 1.01 -1.26 -1.89 116.67 123.90 3kke s ASP 320 Ca 0.03 -0.41 0.10 0.00 0.71 0.00 0.00 52.55 52.98 3kke s ASP 320 Cb -0.08 -2.26 -0.04 0.00 1.01 0.00 0.00 42.92 41.56 3kke s ASP 320 CO 0.01 -0.62 -0.26 -0.89 0.21 0.00 0.00 175.17 173.63 3kke s THR 321 N 2.42 2.12 -0.13 -1.27 2.01 -0.63 -4.98 115.64 115.17 3kke s THR 321 Ca 0.17 -1.61 0.02 0.00 0.31 0.00 0.00 61.69 60.58 3kke s THR 321 Cb -0.16 -1.86 0.00 0.00 0.01 0.00 0.00 72.50 70.49 3kke s THR 321 CO 0.15 0.14 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.34 3kke s VAL 322 N -1.00 2.35 -0.34 3.82 1.01 -1.26 -1.95 120.40 123.03 3kke s VAL 322 Ca 0.12 -0.89 -0.27 0.00 0.00 0.00 0.00 61.98 60.93 3kke s VAL 322 Cb -0.10 -1.95 0.01 0.00 0.00 0.00 0.00 36.38 34.35 3kke s VAL 322 CO 0.05 0.54 0.99 -0.69 0.00 0.00 0.00 175.10 175.99 3kke s VAL 323 N 0.61 4.56 -0.07 2.92 1.01 -0.52 -4.84 120.40 124.07 3kke s VAL 323 Ca -0.11 1.47 0.02 0.00 0.00 0.00 0.00 61.98 63.36 3kke s VAL 323 Cb -0.16 -4.36 -0.03 0.00 0.00 0.00 0.00 36.38 31.83 3kke s VAL 323 CO 0.03 -0.49 0.08 0.35 0.00 0.00 0.00 175.10 175.06 3kke n THR 324 N 5.91 0.00 -4.73 3.92 -2.24 -1.26 -3.17 114.28 112.71 3kke n THR 324 Ca 0.09 -0.31 -0.25 0.00 -2.27 0.00 0.00 64.05 61.32 3kke n THR 324 Cb 0.48 0.80 -0.16 0.00 -2.10 0.00 0.00 70.33 69.35 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 -1.55 1.67 0.83 -0.78 -1.52 -1.26 -3.54 119.66 113.51 3kke s GLN 325 Ca 0.00 -0.53 -0.13 0.00 -1.95 0.00 0.00 55.36 52.75 3kke s GLN 325 Cb 0.02 -1.44 0.09 0.00 -0.22 0.00 0.00 33.01 31.46 3kke s GLN 325 CO 0.09 0.18 1.19 -2.14 -0.25 0.00 0.00 175.29 174.36 3kke s PRO 326 N 0.18 1.54 0.70 2.91 0.02 -1.26 -5.03 135.00 134.06 3kke s PRO 326 Ca -0.06 1.69 -0.13 0.00 0.02 0.00 0.00 61.00 62.52 3kke s PRO 326 Cb -0.12 -1.77 0.02 0.00 0.02 0.00 0.00 34.50 32.65 3kke s PRO 326 CO 0.02 -2.27 1.10 0.95 -0.33 0.00 0.00 177.00 176.47 3kke s THR 327 N -2.28 3.37 0.77 0.99 -4.23 -1.23 -4.70 115.64 108.34 3kke s THR 327 Ca 0.71 0.55 -0.15 0.00 -1.18 0.00 0.00 61.69 61.63 3kke s THR 327 Cb -0.27 -3.08 0.04 0.00 1.34 0.00 0.00 72.50 70.54 3kke s THR 327 CO 0.52 -0.48 1.07 -2.65 -0.54 0.00 0.00 174.62 172.54 3kke n PRO 328 N -2.84 0.34 -4.10 3.99 -0.02 -1.26 -4.86 135.00 126.26 3kke n PRO 328 Ca 0.10 0.18 -0.32 0.00 -2.02 0.00 0.00 63.50 61.44 3kke n PRO 328 Cb 0.53 -2.32 -0.16 0.00 -0.02 0.00 0.00 33.50 31.52 3kke n PRO 328 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3kke s GLU 329 N -3.72 2.73 -0.23 -0.52 2.02 0.41 -4.95 118.70 114.43 3kke s GLU 329 Ca 0.73 -0.73 -0.28 0.00 0.02 0.00 0.00 54.97 54.71 3kke s GLU 329 Cb -0.31 -2.39 0.01 0.00 0.10 0.00 0.00 34.13 31.53 3kke s GLU 329 CO 0.51 -0.21 1.01 -1.17 0.02 0.00 0.00 175.26 175.41 3kke s LEU 330 N 1.35 4.10 -0.56 1.80 2.96 -1.26 0.39 118.68 127.46 3kke s LEU 330 Ca 0.05 1.32 -0.12 0.00 -0.22 0.00 0.00 54.13 55.15 3kke s LEU 330 Cb -0.13 -3.48 0.14 0.00 0.50 0.00 0.00 46.19 43.22 3kke s LEU 330 CO -0.12 -0.65 0.47 -0.76 -1.32 0.00 0.00 176.35 173.98 3kke s LEU 331 N 3.15 6.03 -0.23 -0.68 1.43 0.64 -4.99 118.68 124.03 3kke s LEU 331 Ca 0.43 -2.01 -0.29 0.00 -1.03 0.00 0.00 54.13 51.22 3kke s LEU 331 Cb -0.15 -2.12 -0.00 0.00 0.03 0.00 0.00 46.19 43.95 3kke s LEU 331 CO 0.06 -0.73 1.26 -0.69 0.23 0.00 0.00 176.35 176.48 3kke s VAL 332 N 1.23 4.26 0.00 -1.59 1.01 -1.26 -2.75 120.40 121.30 3kke s VAL 332 Ca 0.07 1.48 0.00 0.00 0.00 0.00 0.00 61.98 63.53 3kke s VAL 332 Cb -0.25 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.02 3kke s VAL 332 CO -0.00 -0.29 0.00 0.54 0.00 0.00 0.00 175.10 175.34 3kke n ARG 333 N 6.90 0.00 0.00 2.72 5.12 -1.26 -4.99 116.66 125.15 3kke n ARG 333 Ca 0.14 0.00 0.01 0.00 -1.93 0.00 0.00 57.85 56.07 3kke n ARG 333 Cb 0.46 0.00 0.01 0.00 -1.16 0.00 0.00 32.46 31.77 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 -0.33 -0.22 5.56 1.02 -0.33 -4.68 120.64 121.67 3kke n GLU 334 Ca 0.00 -0.60 0.11 0.00 -0.02 0.00 0.00 57.16 56.65 3kke n GLU 334 Cb 0.00 -1.02 0.26 0.00 -0.02 0.00 0.00 31.44 30.67 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 0.06 0.57 -4.89 2.62 -2.24 -1.08 -4.19 114.28 105.12 3kke n THR 335 Ca 0.01 -0.71 -0.28 0.00 -2.27 0.00 0.00 64.05 60.81 3kke n THR 335 Cb 0.05 0.68 -0.16 0.00 -2.10 0.00 0.00 70.33 68.80 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 -1.43 1.55 0.24 4.28 -4.23 -1.26 -0.21 115.64 114.58 3kke s THR 336 Ca 0.39 -0.75 -0.21 0.00 -1.18 0.00 0.00 61.69 59.93 3kke s THR 336 Cb 0.21 -1.35 0.04 0.00 1.34 0.00 0.00 72.50 72.74 3kke s THR 336 CO 0.30 0.45 0.66 0.00 -0.54 0.00 0.00 174.62 175.48 3kke s ALA 337 N 0.29 -1.29 0.64 3.99 0.00 -1.26 -4.96 121.76 119.16 3kke s ALA 337 Ca -0.11 -0.07 -0.18 0.00 0.00 0.00 0.00 51.96 51.60 3kke s ALA 337 Cb -0.15 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 23.81 3kke s ALA 337 CO 0.04 -0.94 0.95 -2.30 0.00 0.00 0.00 175.76 173.52 3kke n PRO 338 N -0.42 0.78 0.00 0.00 -0.02 -1.26 -4.78 135.00 129.30 3kke n PRO 338 Ca -0.08 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 3kke n PRO 338 Cb 0.61 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 3kke n PRO 338 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13