#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kap s LYS 3 N 0.00 4.00 -0.11 -1.46 1.02 -1.26 -2.70 119.74 119.23 3kap s LYS 3 Ca 0.00 -0.28 -0.02 0.00 0.02 0.00 0.00 55.97 55.69 3kap s LYS 3 Cb 0.00 -3.62 -0.03 0.00 -0.52 0.00 0.00 37.83 33.66 3kap s LYS 3 CO 0.00 -0.10 -0.04 0.08 -0.92 0.00 0.00 175.35 174.37 3kap s VAL 4 N 1.52 3.91 -0.14 3.17 1.01 0.06 -0.72 120.40 129.22 3kap s VAL 4 Ca 0.08 -0.38 -0.05 0.00 0.00 0.00 0.00 61.98 61.62 3kap s VAL 4 Cb -0.15 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 3kap s VAL 4 CO 0.09 0.56 0.05 -0.22 0.00 0.00 0.00 175.10 175.58 3kap s LEU 5 N -0.37 3.82 -0.21 3.92 2.96 -0.32 -1.32 118.68 127.15 3kap s LEU 5 Ca 0.06 0.16 -0.01 0.00 -0.22 0.00 0.00 54.13 54.12 3kap s LEU 5 Cb -0.12 -1.93 0.02 0.00 0.50 0.00 0.00 46.19 44.65 3kap s LEU 5 CO 0.02 0.28 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.58 3kap s ILE 6 N -0.28 2.60 -0.16 6.68 1.01 0.48 -0.82 121.20 130.71 3kap s ILE 6 Ca 0.08 -0.89 -0.00 0.00 0.00 0.00 0.00 60.65 59.84 3kap s ILE 6 Cb -0.12 -2.20 -0.00 0.00 0.01 0.00 0.00 42.46 40.15 3kap s ILE 6 CO 0.02 0.39 -0.14 -0.22 0.00 0.00 0.00 174.94 174.99 3kap s LEU 7 N 1.34 2.54 0.05 2.97 0.20 -0.21 -0.93 118.68 124.64 3kap s LEU 7 Ca 0.03 -0.45 0.02 0.00 0.69 0.00 0.00 54.13 54.42 3kap s LEU 7 Cb -0.15 -1.58 -0.03 0.00 -0.43 0.00 0.00 46.19 44.00 3kap s LEU 7 CO -0.08 0.08 -0.08 0.72 -0.29 0.00 0.00 176.35 176.70 3kap s PHE 8 N 0.85 0.70 -0.12 5.38 -0.71 -0.94 -1.77 117.98 121.37 3kap s PHE 8 Ca -0.04 -0.56 0.03 0.00 -1.04 0.00 0.00 56.93 55.32 3kap s PHE 8 Cb -0.15 -0.42 0.01 0.00 -1.21 0.00 0.00 43.02 41.25 3kap s PHE 8 CO -0.00 -0.09 -0.22 0.20 -1.34 0.00 0.00 175.22 173.76 3kap s GLY 9 N -1.78 1.30 -0.16 1.99 0.00 -0.91 0.20 107.32 107.96 3kap s GLY 9 Ca -0.07 -0.99 -0.06 0.00 0.00 0.00 0.00 44.72 43.60 3kap s GLY 9 CO -0.00 -0.12 0.34 -0.45 0.00 0.00 0.00 173.10 172.87 3kap s SER 10 N 0.63 -0.08 -0.06 1.64 0.15 -1.26 -3.80 113.70 110.93 3kap s SER 10 Ca -0.12 0.78 -0.01 0.00 0.70 0.00 0.00 55.95 57.29 3kap s SER 10 Cb -0.16 0.91 -0.26 0.00 -1.71 0.00 0.00 66.02 64.79 3kap s SER 10 CO 0.03 -0.22 0.61 0.28 1.20 0.00 0.00 173.24 175.13 3kap h SER 11 N 7.93 0.33 -0.12 5.45 0.02 -2.00 -3.40 113.55 121.77 3kap h SER 11 Ca -0.21 -0.61 0.00 0.00 -0.84 0.00 0.00 61.79 60.13 3kap h SER 11 Cb 1.13 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.56 3kap h SER 11 CO 0.18 1.53 0.00 0.35 -1.14 0.00 0.00 176.83 177.76 3kap n THR 12 N -3.38 0.51 -0.20 -2.27 -2.24 -1.26 -4.99 114.28 100.45 3kap n THR 12 Ca -0.23 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 60.79 3kap n THR 12 Cb 1.05 0.82 0.00 0.00 -2.10 0.00 0.00 70.33 70.10 3kap n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kap n GLY 13 N 0.27 0.63 0.07 3.38 0.00 -1.26 -5.01 105.19 103.27 3kap n GLY 13 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 3kap n GLY 13 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3kap h ASN 14 N 0.00 -0.03 0.38 1.61 2.35 -1.93 -1.32 115.58 116.63 3kap h ASN 14 Ca 0.00 -0.41 -0.10 0.00 -0.55 0.00 0.00 56.30 55.24 3kap h ASN 14 Cb 0.00 0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 3kap h ASN 14 CO 0.00 0.40 -0.43 0.74 -1.65 0.00 0.00 177.43 176.49 3kap h THR 15 N -0.47 1.32 -0.37 2.81 2.02 -1.87 -2.66 112.91 113.69 3kap h THR 15 Ca -0.00 -1.52 0.01 0.00 0.77 0.00 0.00 66.41 65.67 3kap h THR 15 Cb 0.44 1.78 -0.02 0.00 -1.74 0.00 0.00 68.15 68.61 3kap h THR 15 CO 0.01 0.44 0.24 -0.08 0.37 0.00 0.00 175.52 176.49 3kap h GLU 16 N 0.06 0.47 -0.31 6.66 4.81 -1.84 -0.89 114.58 123.54 3kap h GLU 16 Ca 0.00 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3kap h GLU 16 Cb 0.79 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.05 3kap h GLU 16 CO 0.06 0.31 0.17 0.66 -0.73 0.00 0.00 179.01 179.48 3kap h SER 17 N 0.49 0.37 -0.08 1.04 4.64 -0.89 -0.85 113.55 118.26 3kap h SER 17 Ca 0.14 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.42 3kap h SER 17 Cb -0.04 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 61.95 3kap h SER 17 CO -0.04 0.30 -0.03 0.40 -0.87 0.00 0.00 176.83 176.59 3kap h ILE 18 N 0.43 1.31 -0.98 0.95 2.04 -1.30 -1.30 117.51 118.66 3kap h ILE 18 Ca 0.11 -1.02 0.07 0.00 1.00 0.00 0.00 64.86 65.02 3kap h ILE 18 Cb 0.01 1.83 -0.07 0.00 -0.74 0.00 0.00 36.82 37.85 3kap h ILE 18 CO -0.02 0.28 0.63 0.00 0.00 0.00 0.00 178.15 179.04 3kap h ALA 19 N 0.64 1.36 -0.29 1.87 0.00 -0.42 -0.10 119.26 122.32 3kap h ALA 19 Ca 0.02 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3kap h ALA 19 Cb 0.46 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3kap h ALA 19 CO 0.01 0.40 0.02 0.37 0.00 0.00 0.00 179.25 180.06 3kap h GLN 20 N 1.13 0.50 -0.45 0.00 5.75 -1.10 -0.20 115.11 120.75 3kap h GLN 20 Ca 0.43 -0.15 -0.06 0.00 -0.15 0.00 0.00 58.65 58.71 3kap h GLN 20 Cb 0.18 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.66 3kap h GLN 20 CO -0.18 0.63 0.01 -0.22 -2.65 0.00 0.00 178.83 176.42 3kap h LYS 21 N 0.31 0.72 -0.53 1.69 1.63 -0.63 -2.25 116.57 117.51 3kap h LYS 21 Ca 0.09 -0.18 -0.12 0.00 -0.85 0.00 0.00 60.65 59.59 3kap h LYS 21 Cb 0.39 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.91 3kap h LYS 21 CO 0.01 0.73 -0.14 -0.07 -3.45 0.00 0.00 179.45 176.53 3kap h LEU 22 N 0.68 1.03 -0.31 5.20 4.07 -0.84 -1.58 115.31 123.56 3kap h LEU 22 Ca 0.14 -0.36 0.04 0.00 0.08 0.00 0.00 57.88 57.78 3kap h LEU 22 Cb 0.41 -0.28 -0.04 0.00 1.08 0.00 0.00 40.66 41.83 3kap h LEU 22 CO 0.02 1.15 0.08 -0.08 -1.08 0.00 0.00 178.44 178.53 3kap h GLU 23 N 0.90 0.19 -0.01 1.13 4.22 -0.66 0.39 114.58 120.74 3kap h GLU 23 Ca 0.13 -0.01 0.01 0.00 0.08 0.00 0.00 59.36 59.57 3kap h GLU 23 Cb 0.71 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 3kap h GLU 23 CO 0.05 0.13 -0.06 1.49 -2.18 0.00 0.00 179.01 178.44 3kap h GLU 24 N 0.20 -0.10 -0.12 1.92 4.81 -1.10 -0.31 114.58 119.87 3kap h GLU 24 Ca 0.14 0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.24 3kap h GLU 24 Cb 0.14 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 3kap h GLU 24 CO -0.17 -0.07 -0.55 -0.07 -0.73 0.00 0.00 179.01 177.42 3kap h LEU 25 N -0.11 0.38 -0.23 1.64 3.38 -1.08 -1.21 115.31 118.09 3kap h LEU 25 Ca 0.03 -0.20 -0.21 0.00 0.09 0.00 0.00 57.88 57.58 3kap h LEU 25 Cb 0.15 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3kap h LEU 25 CO -0.07 0.86 -0.88 0.58 0.09 0.00 0.00 178.44 179.01 3kap h VAL 26 N 0.27 1.39 -0.55 1.22 2.07 -0.81 -2.55 116.25 117.29 3kap h VAL 26 Ca 0.00 -2.34 -0.08 0.00 0.82 0.00 0.00 66.70 65.11 3kap h VAL 26 Cb 1.04 2.31 -0.02 0.00 -1.52 0.00 0.00 31.29 33.11 3kap h VAL 26 CO 0.09 0.70 0.05 0.00 0.02 0.00 0.00 177.57 178.43 3kap h ALA 27 N 0.78 0.73 -0.43 1.67 0.00 -1.01 -2.79 119.26 118.21 3kap h ALA 27 Ca -0.07 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.60 3kap h ALA 27 Cb 1.50 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 3kap h ALA 27 CO 0.15 0.51 0.29 0.00 0.00 0.00 0.00 179.25 180.20 3kap h ALA 28 N 0.98 1.79 0.00 0.00 0.00 -1.13 0.73 119.26 121.62 3kap h ALA 28 Ca 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3kap h ALA 28 Cb 0.47 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3kap h ALA 28 CO 0.02 0.17 0.00 0.41 0.00 0.00 0.00 179.25 179.85 3kap n GLY 29 N -1.49 -0.63 0.50 0.00 0.00 -0.97 -4.86 105.19 97.74 3kap n GLY 29 Ca 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3kap n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kap n GLY 30 N 0.20 1.02 3.38 -0.02 0.00 0.24 -5.10 105.19 104.92 3kap n GLY 30 Ca 0.14 -0.23 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 3kap n GLY 30 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kap s HIS 31 N -2.30 2.21 -0.11 1.61 3.76 -1.18 -4.79 115.29 114.49 3kap s HIS 31 Ca 0.00 -0.39 -0.30 0.00 -0.15 0.00 0.00 55.06 54.23 3kap s HIS 31 Cb 0.00 -1.17 -0.01 0.00 1.11 0.00 0.00 32.58 32.50 3kap s HIS 31 CO 0.00 0.35 1.06 -2.00 -0.85 0.00 0.00 174.74 173.30 3kap s GLU 32 N -2.18 4.39 -0.04 1.40 2.12 -1.10 -4.45 118.70 118.84 3kap s GLU 32 Ca 0.14 1.46 0.03 0.00 0.36 0.00 0.00 54.97 56.96 3kap s GLU 32 Cb -0.09 -3.56 0.00 0.00 0.26 0.00 0.00 34.13 30.74 3kap s GLU 32 CO 0.06 -0.38 -0.12 0.08 -0.54 0.00 0.00 175.26 174.36 3kap s VAL 33 N 2.19 1.07 -0.13 3.70 1.01 -1.26 -0.76 120.40 126.23 3kap s VAL 33 Ca 0.50 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.98 3kap s VAL 33 Cb -0.19 -0.95 -0.01 0.00 0.00 0.00 0.00 36.38 35.23 3kap s VAL 33 CO 0.18 0.33 -0.16 -0.89 0.00 0.00 0.00 175.10 174.56 3kap s THR 34 N 0.25 2.77 -0.26 3.92 2.01 -0.44 -4.98 115.64 118.92 3kap s THR 34 Ca -0.06 -0.76 -0.11 0.00 0.31 0.00 0.00 61.69 61.07 3kap s THR 34 Cb -0.11 -2.15 -0.05 0.00 0.01 0.00 0.00 72.50 70.20 3kap s THR 34 CO 0.02 0.53 0.21 -0.22 -0.69 0.00 0.00 174.62 174.47 3kap s LEU 35 N 0.43 4.06 -0.09 4.42 0.20 -1.26 -0.39 118.68 126.06 3kap s LEU 35 Ca -0.12 0.09 -0.00 0.00 0.69 0.00 0.00 54.13 54.79 3kap s LEU 35 Cb -0.16 -2.17 0.02 0.00 -0.43 0.00 0.00 46.19 43.45 3kap s LEU 35 CO 0.05 -0.02 -0.06 -0.22 -0.29 0.00 0.00 176.35 175.81 3kap s LEU 36 N 1.52 1.11 0.21 -0.68 2.96 -0.10 -4.98 118.68 118.71 3kap s LEU 36 Ca 0.09 -0.22 -0.30 0.00 -0.22 0.00 0.00 54.13 53.48 3kap s LEU 36 Cb -0.15 -0.67 -0.08 0.00 0.50 0.00 0.00 46.19 45.78 3kap s LEU 36 CO 0.08 -0.11 1.07 0.21 -1.32 0.00 0.00 176.35 176.28 3kap s ASN 37 N 1.52 7.33 0.55 3.68 3.84 -1.26 -2.21 114.94 128.40 3kap s ASN 37 Ca 0.00 2.10 0.23 0.00 0.21 0.00 0.00 52.86 55.39 3kap s ASN 37 Cb -0.13 -2.61 1.53 0.00 -0.55 0.00 0.00 41.25 39.48 3kap s ASN 37 CO -0.05 -0.14 2.19 0.00 -2.79 0.00 0.00 177.10 176.31 3kap h ALA 38 N 4.67 1.81 -0.26 1.71 0.00 -0.57 -1.41 119.26 125.22 3kap h ALA 38 Ca -0.45 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.54 3kap h ALA 38 Cb 1.21 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3kap h ALA 38 CO 0.70 -0.04 0.21 0.00 0.00 0.00 0.00 179.25 180.13 3kap h ALA 39 N 1.98 2.12 0.00 0.00 0.00 -1.80 -2.48 119.26 119.07 3kap h ALA 39 Ca 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3kap h ALA 39 Cb 0.06 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3kap h ALA 39 CO -0.00 -0.35 -0.29 -0.85 0.00 0.00 0.00 179.25 177.76 3kap n GLU 40 N -4.22 1.33 -4.18 0.00 0.28 -0.53 -5.03 120.64 108.28 3kap n GLU 40 Ca 0.03 -2.84 -0.23 0.00 -0.16 0.00 0.00 57.16 53.97 3kap n GLU 40 Cb 0.36 -1.46 -0.06 0.00 1.43 0.00 0.00 31.44 31.72 3kap n GLU 40 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3kap s ALA 41 N -2.83 3.42 -0.07 -1.84 0.00 -0.94 -4.98 121.76 114.53 3kap s ALA 41 Ca 0.34 -1.49 0.02 0.00 0.00 0.00 0.00 51.96 50.82 3kap s ALA 41 Cb 0.32 -1.10 0.02 0.00 0.00 0.00 0.00 23.12 22.35 3kap s ALA 41 CO -0.03 0.28 -0.10 -1.12 0.00 0.00 0.00 175.76 174.79 3kap s SER 42 N -3.72 1.67 0.31 0.00 0.01 -1.26 -5.02 113.70 105.69 3kap s SER 42 Ca 0.32 -0.27 0.03 0.00 1.31 0.00 0.00 55.95 57.34 3kap s SER 42 Cb -0.07 -0.76 0.52 0.00 0.21 0.00 0.00 66.02 65.92 3kap s SER 42 CO 0.23 -0.00 1.82 0.00 0.41 0.00 0.00 173.24 175.70 3kap h ALA 43 N 7.15 1.27 -2.02 1.44 0.00 -1.92 -3.39 119.26 121.79 3kap h ALA 43 Ca -0.32 -0.25 -0.58 0.00 0.00 0.00 0.00 54.91 53.76 3kap h ALA 43 Cb 1.17 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 3kap h ALA 43 CO 0.47 0.49 1.43 0.16 0.00 0.00 0.00 179.25 181.79 3kap s ASP 44 N -6.75 5.64 -1.42 0.00 1.47 -1.26 -1.66 116.67 112.69 3kap s ASP 44 Ca -0.08 1.94 -0.10 0.00 1.18 0.00 0.00 52.55 55.50 3kap s ASP 44 Cb 0.15 -2.51 0.06 0.00 -0.34 0.00 0.00 42.92 40.28 3kap s ASP 44 CO 0.78 -1.80 0.65 0.59 0.68 0.00 0.00 175.17 176.06 3kap n ASN 45 N 10.95 -4.49 -0.04 2.11 5.03 0.57 -4.89 115.26 124.50 3kap n ASN 45 Ca 0.28 -0.48 0.02 0.00 0.87 0.00 0.00 54.58 55.26 3kap n ASN 45 Cb 0.45 -3.66 0.36 0.00 -1.02 0.00 0.00 39.78 35.91 3kap n ASN 45 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 3kap h LEU 46 N -1.36 0.56 -0.11 3.41 5.85 -0.94 -2.44 115.31 120.28 3kap h LEU 46 Ca -0.49 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.19 3kap h LEU 46 Cb 1.33 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.22 3kap h LEU 46 CO 0.58 0.46 -0.01 0.00 -0.34 0.00 0.00 178.44 179.13 3kap n ALA 47 N -2.47 2.66 -1.98 1.25 0.00 -0.24 -4.85 120.51 114.89 3kap n ALA 47 Ca 0.04 -0.22 -0.42 0.00 0.00 0.00 0.00 53.44 52.83 3kap n ALA 47 Cb 0.10 -1.47 -0.03 0.00 0.00 0.00 0.00 19.45 18.05 3kap n ALA 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3kap s ASP 48 N -2.09 6.65 0.00 0.00 -0.00 -0.92 -1.60 116.67 118.71 3kap s ASP 48 Ca 0.44 2.40 0.00 0.00 -0.00 0.00 0.00 52.55 55.39 3kap s ASP 48 Cb 0.22 -2.56 0.00 0.00 -0.00 0.00 0.00 42.92 40.58 3kap s ASP 48 CO 0.38 -0.87 0.00 0.61 -0.00 0.00 0.00 175.17 175.29 3kap n GLY 49 N 3.97 0.69 3.51 0.21 0.00 -1.26 -5.05 105.19 107.26 3kap n GLY 49 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 3kap n GLY 49 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kap s TYR 50 N -2.60 2.57 -0.12 1.61 2.02 -0.63 -4.83 117.35 115.37 3kap s TYR 50 Ca 0.00 -0.25 0.17 0.00 -0.37 0.00 0.00 57.07 56.63 3kap s TYR 50 Cb 0.00 -1.34 -0.21 0.00 -0.40 0.00 0.00 41.96 40.01 3kap s TYR 50 CO 0.00 0.42 0.54 -0.25 -1.57 0.00 0.00 175.55 174.69 3kap n ASP 51 N 0.65 0.50 -3.82 2.29 9.92 0.10 -4.96 116.55 121.23 3kap n ASP 51 Ca -0.14 0.22 -0.12 0.00 -0.53 0.00 0.00 54.79 54.22 3kap n ASP 51 Cb 0.53 0.63 -0.11 0.00 -0.64 0.00 0.00 41.12 41.53 3kap n ASP 51 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3kap s ALA 52 N -2.85 -0.48 -0.11 2.24 0.00 -1.16 -2.45 121.76 116.96 3kap s ALA 52 Ca -0.06 0.40 0.02 0.00 0.00 0.00 0.00 51.96 52.32 3kap s ALA 52 Cb 0.09 -0.21 0.01 0.00 0.00 0.00 0.00 23.12 23.01 3kap s ALA 52 CO 0.83 -0.13 -0.16 0.08 0.00 0.00 0.00 175.76 176.38 3kap s VAL 53 N -0.31 1.53 -0.30 0.00 1.01 -0.65 -1.18 120.40 120.51 3kap s VAL 53 Ca -0.04 -0.67 -0.08 0.00 0.00 0.00 0.00 61.98 61.19 3kap s VAL 53 Cb -0.03 -1.39 -0.00 0.00 0.00 0.00 0.00 36.38 34.96 3kap s VAL 53 CO 0.01 0.45 0.11 -0.76 0.00 0.00 0.00 175.10 174.90 3kap s LEU 54 N 0.92 3.89 0.03 3.92 1.43 0.00 -2.34 118.68 126.53 3kap s LEU 54 Ca -0.08 -0.57 0.08 0.00 -1.03 0.00 0.00 54.13 52.53 3kap s LEU 54 Cb -0.15 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.11 3kap s LEU 54 CO -0.01 -0.17 -0.24 -0.04 0.23 0.00 0.00 176.35 176.12 3kap s MET 55 N 1.56 1.95 -0.03 1.70 -1.94 -0.46 -1.04 119.30 121.04 3kap s MET 55 Ca 0.04 -1.03 -0.29 0.00 -1.71 0.00 0.00 55.69 52.70 3kap s MET 55 Cb -0.17 -2.06 0.08 0.00 2.01 0.00 0.00 34.83 34.70 3kap s MET 55 CO 0.04 0.53 0.75 0.20 -0.01 0.00 0.00 175.02 176.53 3kap s GLY 56 N -1.15 -0.52 0.11 -0.03 0.00 -0.73 -2.00 107.32 103.01 3kap s GLY 56 Ca 0.12 1.30 -0.26 0.00 0.00 0.00 0.00 44.72 45.89 3kap s GLY 56 CO 0.02 0.80 0.86 0.00 0.00 0.00 0.00 173.10 174.78 3kap s SER 58 N -2.74 6.03 0.10 0.00 1.04 -1.25 -4.37 113.70 112.50 3kap s SER 58 Ca 0.08 1.52 0.08 0.00 0.48 0.00 0.00 55.95 58.11 3kap s SER 58 Cb -0.02 -2.49 -0.04 0.00 0.10 0.00 0.00 66.02 63.58 3kap s SER 58 CO -0.04 -1.01 -0.15 0.00 0.98 0.00 0.00 173.24 173.03 3kap s ALA 59 N -3.02 2.78 -0.00 5.32 0.00 -1.26 -1.34 121.76 124.24 3kap s ALA 59 Ca 0.57 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 51.24 3kap s ALA 59 Cb -0.12 -0.76 0.00 0.00 0.00 0.00 0.00 23.12 22.24 3kap s ALA 59 CO 0.50 0.61 0.61 0.91 0.00 0.00 0.00 175.76 178.39 3kap n TRP 60 N 0.85 0.00 -0.05 0.00 7.02 0.11 -4.90 117.44 120.47 3kap n TRP 60 Ca -0.15 -0.11 0.03 0.00 -1.02 0.00 0.00 57.50 56.25 3kap n TRP 60 Cb 0.52 -0.01 0.07 0.00 -2.42 0.00 0.00 31.31 29.48 3kap n TRP 60 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3kap n GLY 61 N -0.11 2.43 7.00 6.99 0.00 -1.25 -4.87 105.19 115.38 3kap n GLY 61 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3kap n GLY 61 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3kap n MET 62 N 0.06 0.00 0.06 1.61 2.81 -1.26 -1.81 117.12 118.58 3kap n MET 62 Ca 0.06 0.00 0.03 0.00 -1.81 0.00 0.00 57.70 55.98 3kap n MET 62 Cb 0.32 0.00 0.42 0.00 -0.71 0.00 0.00 33.22 33.25 3kap n MET 62 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 3kap h GLU 63 N 0.00 0.41 -6.28 0.03 3.07 -1.97 -3.37 114.58 106.47 3kap h GLU 63 Ca 0.00 -0.05 -0.58 0.00 -0.50 0.00 0.00 59.36 58.23 3kap h GLU 63 Cb 0.00 -0.08 -0.10 0.00 -0.84 0.00 0.00 28.75 27.73 3kap h GLU 63 CO 0.00 0.35 -0.64 -0.51 -1.40 0.00 0.00 179.01 176.82 3kap s ASP 64 N -6.78 4.79 -0.11 1.42 1.11 -0.75 -4.98 116.67 111.37 3kap s ASP 64 Ca -0.07 -0.45 -0.28 0.00 0.18 0.00 0.00 52.55 51.92 3kap s ASP 64 Cb 0.17 -1.01 -0.02 0.00 1.07 0.00 0.00 42.92 43.13 3kap s ASP 64 CO 0.73 0.05 0.95 -0.22 1.18 0.00 0.00 175.17 177.85 3kap s LEU 65 N -3.27 4.24 -0.06 1.23 2.96 -1.26 -3.83 118.68 118.70 3kap s LEU 65 Ca 0.29 1.44 -0.01 0.00 -0.22 0.00 0.00 54.13 55.63 3kap s LEU 65 Cb -0.08 -3.46 0.03 0.00 0.50 0.00 0.00 46.19 43.18 3kap s LEU 65 CO 0.20 -0.40 0.00 -0.70 -1.32 0.00 0.00 176.35 174.13 3kap s GLU 66 N 1.89 0.51 0.50 1.98 2.12 -1.26 -4.87 118.70 119.57 3kap s GLU 66 Ca 0.46 0.11 -0.12 0.00 0.36 0.00 0.00 54.97 55.77 3kap s GLU 66 Cb -0.18 -0.83 -0.06 0.00 0.26 0.00 0.00 34.13 33.32 3kap s GLU 66 CO 0.17 -0.25 0.91 -0.51 -0.54 0.00 0.00 175.26 175.04 3kap s LEU 67 N 1.72 3.60 0.09 2.70 1.02 -1.26 0.05 118.68 126.60 3kap s LEU 67 Ca 0.01 1.33 -0.36 0.00 0.02 0.00 0.00 54.13 55.13 3kap s LEU 67 Cb -0.13 -4.27 -0.18 0.00 0.02 0.00 0.00 46.19 41.63 3kap s LEU 67 CO -0.04 -0.59 1.08 1.67 0.02 0.00 0.00 176.35 178.49 3kap n GLN 68 N -1.83 0.57 -0.31 1.70 0.00 -0.45 -4.60 117.38 112.46 3kap n GLN 68 Ca 0.04 0.20 0.16 0.00 -0.00 0.00 0.00 57.00 57.40 3kap n GLN 68 Cb 0.54 -1.67 0.34 0.00 0.00 0.00 0.00 30.24 29.46 3kap n GLN 68 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.06 176.62 3kap h ASP 69 N 3.16 0.32 0.87 1.69 3.45 -1.95 0.11 116.42 124.08 3kap h ASP 69 Ca -0.45 0.17 -0.13 0.00 0.43 0.00 0.00 57.03 57.05 3kap h ASP 69 Cb 1.39 0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 40.30 3kap h ASP 69 CO 0.68 -0.05 -0.60 0.44 -1.57 0.00 0.00 179.24 178.14 3kap h ASP 70 N 0.36 0.00 0.38 6.45 3.32 -1.93 -3.33 116.42 121.67 3kap h ASP 70 Ca 0.60 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 57.33 3kap h ASP 70 Cb 1.20 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.73 3kap h ASP 70 CO -0.57 0.60 -1.72 0.15 -1.72 0.00 0.00 179.24 175.99 3kap h PHE 71 N 0.00 0.31 -0.66 4.55 3.04 -1.17 -3.41 116.94 119.60 3kap h PHE 71 Ca -0.01 -0.23 0.13 0.00 3.98 0.00 0.00 57.97 61.85 3kap h PHE 71 Cb 1.20 -0.01 -0.09 0.00 2.56 0.00 0.00 35.95 39.60 3kap h PHE 71 CO 0.00 1.38 0.19 0.00 -2.02 0.00 0.00 178.31 177.85 3kap h ALA 72 N 0.54 0.84 -0.50 2.41 0.00 -1.23 -0.41 119.26 120.91 3kap h ALA 72 Ca -0.31 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 3kap h ALA 72 Cb 2.02 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.94 3kap h ALA 72 CO 0.11 -0.28 0.31 -1.00 0.00 0.00 0.00 179.25 178.39 3kap h PRO 73 N 0.32 0.67 -0.33 0.00 0.13 -1.78 -1.23 132.00 129.78 3kap h PRO 73 Ca 0.36 -0.05 -0.15 0.00 -0.87 0.00 0.00 66.00 65.28 3kap h PRO 73 Cb 0.54 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.52 3kap h PRO 73 CO -0.42 0.47 -0.40 -0.07 -0.23 0.00 0.00 178.00 177.36 3kap h LEU 74 N 0.69 0.86 -0.15 1.56 4.07 -1.40 -1.74 115.31 119.20 3kap h LEU 74 Ca 0.18 -0.39 -0.00 0.00 0.08 0.00 0.00 57.88 57.75 3kap h LEU 74 Cb -0.04 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.46 3kap h LEU 74 CO -0.04 1.15 0.08 0.15 -1.08 0.00 0.00 178.44 178.70 3kap h PHE 75 N 0.66 0.20 -0.07 1.13 3.04 -0.69 -2.07 116.94 119.14 3kap h PHE 75 Ca 0.05 -0.00 0.02 0.00 3.98 0.00 0.00 57.97 62.02 3kap h PHE 75 Cb 0.96 -0.07 -0.00 0.00 2.56 0.00 0.00 35.95 39.40 3kap h PHE 75 CO 0.05 0.21 0.05 -0.44 -2.02 0.00 0.00 178.31 176.16 3kap h ASP 76 N 0.14 0.00 -0.67 0.41 3.45 -1.00 -2.23 116.42 116.53 3kap h ASP 76 Ca 0.05 0.00 -0.28 0.00 0.43 0.00 0.00 57.03 57.24 3kap h ASP 76 Cb 0.07 0.00 -0.16 0.00 -0.56 0.00 0.00 39.33 38.68 3kap h ASP 76 CO -0.01 0.00 0.27 -0.62 -1.57 0.00 0.00 179.24 177.31 3kap n GLU 77 N -4.48 2.70 0.21 3.56 1.02 -0.67 -4.63 120.64 118.34 3kap n GLU 77 Ca -0.01 -3.07 0.10 0.00 -0.02 0.00 0.00 57.16 54.16 3kap n GLU 77 Cb 0.16 -2.06 0.65 0.00 -0.02 0.00 0.00 31.44 30.16 3kap n GLU 77 CO 0.00 0.00 0.00 1.98 1.18 0.00 0.00 177.13 180.29 3kap h MET 78 N 1.63 0.00 -0.13 3.49 4.05 -0.75 -0.43 114.93 122.79 3kap h MET 78 Ca 0.34 -0.00 0.04 0.00 -0.28 0.00 0.00 59.70 59.80 3kap h MET 78 Cb 2.23 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 33.02 3kap h MET 78 CO 0.71 0.00 0.12 1.49 0.23 0.00 0.00 176.91 179.45 3kap h GLU 79 N 0.00 0.00 0.00 0.39 4.81 -1.85 -2.38 114.58 115.56 3kap h GLU 79 Ca 0.05 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3kap h GLU 79 Cb 0.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.57 3kap h GLU 79 CO -0.00 0.00 -0.31 0.09 -0.73 0.00 0.00 179.01 178.06 3kap n ASN 80 N -4.13 0.35 0.19 1.04 4.13 -0.17 -4.30 115.26 112.36 3kap n ASN 80 Ca 0.00 0.08 0.05 0.00 1.68 0.00 0.00 54.58 56.39 3kap n ASN 80 Cb 0.23 -0.06 0.35 0.00 -1.54 0.00 0.00 39.78 38.76 3kap n ASN 80 CO 0.00 0.00 0.00 0.24 0.28 0.00 0.00 177.26 177.78 3kap h MET 81 N 0.00 0.00 -1.17 3.52 2.86 -1.38 0.16 114.93 118.92 3kap h MET 81 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3kap h MET 81 Cb 0.53 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.19 3kap h MET 81 CO 0.00 0.39 0.00 0.41 1.06 0.00 0.00 176.91 178.77 3kap n GLY 82 N 0.04 0.64 0.03 8.32 0.00 -1.26 -1.08 105.19 111.88 3kap n GLY 82 Ca -0.01 -0.39 0.12 0.00 0.00 0.00 0.00 46.02 45.75 3kap n GLY 82 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kap n LEU 83 N -0.58 0.58 -4.71 0.99 4.32 -1.26 -4.69 117.00 111.65 3kap n LEU 83 Ca 0.00 0.13 -0.42 0.00 -0.02 0.00 0.00 56.01 55.70 3kap n LEU 83 Cb 0.35 -0.22 -0.03 0.00 -1.62 0.00 0.00 43.42 41.90 3kap n LEU 83 CO 0.00 0.03 1.36 -0.75 -1.22 0.00 0.00 177.39 176.81 3kap s LYS 84 N -3.09 4.15 0.00 3.23 2.20 -1.25 -0.78 119.74 124.21 3kap s LYS 84 Ca 0.08 2.52 0.00 0.00 -0.36 0.00 0.00 55.97 58.22 3kap s LYS 84 Cb 0.15 -3.26 0.00 0.00 -1.51 0.00 0.00 37.83 33.22 3kap s LYS 84 CO 0.71 -0.74 0.00 0.41 -0.36 0.00 0.00 175.35 175.37 3kap n GLY 85 N 3.99 3.10 3.81 5.54 0.00 0.57 -4.91 105.19 117.28 3kap n GLY 85 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 3kap n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kap s LYS 86 N -0.22 3.24 0.24 1.61 3.01 0.04 -4.65 119.74 123.01 3kap s LYS 86 Ca 0.00 1.15 -0.16 0.00 -1.01 0.00 0.00 55.97 55.95 3kap s LYS 86 Cb 0.00 -2.02 -0.08 0.00 -1.01 0.00 0.00 37.83 34.72 3kap s LYS 86 CO 0.00 -0.87 0.67 0.15 0.51 0.00 0.00 175.35 175.81 3kap s LYS 87 N -4.29 4.07 -0.01 1.68 1.02 -1.02 -0.16 119.74 121.03 3kap s LYS 87 Ca 0.62 0.67 -0.09 0.00 0.02 0.00 0.00 55.97 57.19 3kap s LYS 87 Cb -0.15 -2.73 0.01 0.00 -0.52 0.00 0.00 37.83 34.44 3kap s LYS 87 CO 0.41 0.33 0.20 -1.17 -0.92 0.00 0.00 175.35 174.19 3kap s LEU 88 N -2.37 1.31 0.00 3.17 0.20 0.27 -1.64 118.68 119.62 3kap s LEU 88 Ca 0.46 -0.04 -0.05 0.00 0.69 0.00 0.00 54.13 55.19 3kap s LEU 88 Cb -0.14 0.85 -0.00 0.00 -0.43 0.00 0.00 46.19 46.47 3kap s LEU 88 CO 0.19 -0.35 0.09 0.00 -0.29 0.00 0.00 176.35 176.00 3kap s ALA 89 N -1.16 -0.20 0.12 5.97 0.00 -0.99 -0.58 121.76 124.93 3kap s ALA 89 Ca -0.12 -0.21 0.07 0.00 0.00 0.00 0.00 51.96 51.69 3kap s ALA 89 Cb -0.06 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.11 3kap s ALA 89 CO 0.02 -0.18 -0.05 0.00 0.00 0.00 0.00 175.76 175.55 3kap s ALA 90 N -1.26 3.11 0.10 0.00 0.00 -1.26 -1.35 121.76 121.10 3kap s ALA 90 Ca -0.14 -1.25 -0.08 0.00 0.00 0.00 0.00 51.96 50.49 3kap s ALA 90 Cb -0.08 -0.99 -0.01 0.00 0.00 0.00 0.00 23.12 22.05 3kap s ALA 90 CO 0.01 0.61 0.19 -0.59 0.00 0.00 0.00 175.76 175.98 3kap s PHE 91 N -1.39 0.24 -0.12 0.00 -0.12 -0.85 -1.07 117.98 114.67 3kap s PHE 91 Ca 0.24 -0.67 -0.30 0.00 -0.05 0.00 0.00 56.93 56.16 3kap s PHE 91 Cb -0.11 -0.09 0.10 0.00 -0.63 0.00 0.00 43.02 42.29 3kap s PHE 91 CO 0.16 -0.57 0.86 0.00 -0.05 0.00 0.00 175.22 175.62 3kap s ALA 92 N -3.89 -1.86 -0.02 1.99 0.00 -0.54 -2.80 121.76 114.65 3kap s ALA 92 Ca 0.08 1.50 -0.01 0.00 0.00 0.00 0.00 51.96 53.53 3kap s ALA 92 Cb 0.05 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.67 3kap s ALA 92 CO -0.08 -0.33 0.10 0.45 0.00 0.00 0.00 175.76 175.89 3kap s SER 93 N -1.04 5.80 0.00 0.00 0.15 -1.26 -2.00 113.70 115.36 3kap s SER 93 Ca -0.05 0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.79 3kap s SER 93 Cb -0.01 -1.70 0.00 0.00 -1.71 0.00 0.00 66.02 62.60 3kap s SER 93 CO 0.05 0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.38 3kap n GLY 94 N 1.25 2.42 2.79 9.45 0.00 0.14 -4.30 105.19 116.94 3kap n GLY 94 Ca -0.13 -1.10 -0.17 0.00 0.00 0.00 0.00 46.02 44.62 3kap n GLY 94 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kap s ASP 95 N -0.77 0.56 0.31 1.61 3.68 -1.26 -3.07 116.67 117.73 3kap s ASP 95 Ca 0.00 0.20 0.25 0.00 2.13 0.00 0.00 52.55 55.12 3kap s ASP 95 Cb 0.00 0.07 1.08 0.00 -1.45 0.00 0.00 42.92 42.62 3kap s ASP 95 CO 0.00 -0.21 1.75 0.24 0.13 0.00 0.00 175.17 177.08 3kap h MET 96 N 7.96 0.00 0.00 4.34 2.86 -1.98 -1.93 114.93 126.18 3kap h MET 96 Ca -0.25 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.39 3kap h MET 96 Cb 1.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.78 3kap h MET 96 CO 0.27 0.00 0.00 0.93 1.06 0.00 0.00 176.91 179.17 3kap h GLU 97 N 0.00 0.00 -6.15 1.72 4.39 -2.03 -3.45 114.58 109.06 3kap h GLU 97 Ca 0.00 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.16 3kap h GLU 97 Cb 0.32 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.92 3kap h GLU 97 CO 0.00 0.00 -0.51 0.71 -1.16 0.00 0.00 179.01 178.05 3kap s TYR 98 N -3.87 3.28 0.82 4.33 2.02 -0.73 -5.10 117.35 118.09 3kap s TYR 98 Ca -0.02 0.01 -0.10 0.00 -0.37 0.00 0.00 57.07 56.58 3kap s TYR 98 Cb 0.11 -1.55 0.08 0.00 -0.40 0.00 0.00 41.96 40.20 3kap s TYR 98 CO 0.43 0.51 1.10 -1.21 -1.57 0.00 0.00 175.55 174.81 3kap s GLU 99 N -3.35 1.89 -1.35 -0.62 2.02 -1.26 -3.71 118.70 112.32 3kap s GLU 99 Ca 0.33 1.24 -0.01 0.00 0.02 0.00 0.00 54.97 56.55 3kap s GLU 99 Cb -0.10 -1.85 0.00 0.00 0.10 0.00 0.00 34.13 32.29 3kap s GLU 99 CO 0.26 -1.92 0.63 0.72 0.02 0.00 0.00 175.26 174.97 3kap n HIS 100 N -3.72 -1.85 -1.62 1.61 8.25 -1.26 -4.52 115.22 112.11 3kap n HIS 100 Ca 0.10 0.82 -0.48 0.00 -0.26 0.00 0.00 57.72 57.89 3kap n HIS 100 Cb 0.53 -4.19 -0.05 0.00 1.12 0.00 0.00 29.99 27.40 3kap n HIS 100 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 3kap n TYR 101 N -4.32 2.14 -3.32 4.41 9.36 -1.24 -1.07 117.16 123.11 3kap n TYR 101 Ca -0.29 0.01 -0.23 0.00 3.32 0.00 0.00 57.90 60.71 3kap n TYR 101 Cb 0.67 -2.66 0.00 0.00 -0.63 0.00 0.00 39.34 36.73 3kap n TYR 101 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3kap h GLY 103 N -1.03 0.00 1.98 0.00 0.00 -1.46 -1.55 103.07 101.01 3kap h GLY 103 Ca -0.44 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.85 3kap h GLY 103 CO 0.54 0.00 -0.18 0.00 0.00 0.00 0.00 176.54 176.90 3kap h ALA 104 N 1.56 1.68 0.79 3.60 0.00 -1.86 -3.06 119.26 121.98 3kap h ALA 104 Ca 0.10 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3kap h ALA 104 Cb 0.72 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.49 3kap h ALA 104 CO -0.00 0.24 -0.38 0.28 0.00 0.00 0.00 179.25 179.39 3kap h VAL 105 N 0.02 0.00 -0.55 0.00 2.07 -1.58 0.01 116.25 116.22 3kap h VAL 105 Ca 0.00 -0.13 0.10 0.00 0.82 0.00 0.00 66.70 67.49 3kap h VAL 105 Cb 0.33 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.07 3kap h VAL 105 CO 0.02 0.00 0.37 1.55 0.02 0.00 0.00 177.57 179.54 3kap h PRO 106 N -1.20 0.33 -0.36 1.57 0.13 -1.76 -1.78 132.00 128.94 3kap h PRO 106 Ca -0.11 -0.02 -0.16 0.00 -0.87 0.00 0.00 66.00 64.84 3kap h PRO 106 Cb 0.82 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 31.87 3kap h PRO 106 CO 0.18 0.22 -0.40 0.00 -0.23 0.00 0.00 178.00 177.77 3kap h ALA 107 N 1.72 0.53 -0.16 -0.56 0.00 -1.36 -1.17 119.26 118.26 3kap h ALA 107 Ca 0.25 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 3kap h ALA 107 Cb 0.55 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3kap h ALA 107 CO -0.06 0.64 -0.14 0.82 0.00 0.00 0.00 179.25 180.51 3kap h ILE 108 N 0.71 1.34 -0.39 0.00 2.04 -0.75 -1.88 117.51 118.57 3kap h ILE 108 Ca 0.05 -1.28 0.02 0.00 1.00 0.00 0.00 64.86 64.65 3kap h ILE 108 Cb 0.99 1.83 -0.03 0.00 -0.74 0.00 0.00 36.82 38.87 3kap h ILE 108 CO 0.10 0.38 0.22 -0.33 0.00 0.00 0.00 178.15 178.51 3kap h GLU 109 N 0.02 0.43 0.21 2.37 5.08 -1.23 0.99 114.58 122.45 3kap h GLU 109 Ca 0.03 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3kap h GLU 109 Cb 0.66 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.82 3kap h GLU 109 CO 0.04 0.28 -0.10 1.49 -1.00 0.00 0.00 179.01 179.72 3kap h GLU 110 N 0.44 -0.28 -0.80 2.33 4.81 -1.26 -1.01 114.58 118.82 3kap h GLU 110 Ca 0.16 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 3kap h GLU 110 Cb 0.03 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.44 3kap h GLU 110 CO -0.09 -0.16 0.46 -0.22 -0.73 0.00 0.00 179.01 178.27 3kap h LYS 111 N -0.31 1.09 -0.47 1.92 1.63 -1.13 -2.38 116.57 116.92 3kap h LYS 111 Ca -0.03 -0.11 -0.06 0.00 -0.85 0.00 0.00 60.65 59.59 3kap h LYS 111 Cb 0.24 -0.22 -0.02 0.00 -0.60 0.00 0.00 32.23 31.63 3kap h LYS 111 CO 0.05 0.79 0.04 0.00 -3.45 0.00 0.00 179.45 176.87 3kap h ALA 112 N 1.25 0.63 -0.52 5.00 0.00 -0.67 -2.33 119.26 122.61 3kap h ALA 112 Ca 0.28 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.99 3kap h ALA 112 Cb -0.01 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.56 3kap h ALA 112 CO -0.05 0.39 0.26 0.00 0.00 0.00 0.00 179.25 179.85 3kap h ARG 113 N 0.66 0.49 -0.19 0.00 3.08 -1.02 -1.69 114.38 115.72 3kap h ARG 113 Ca 0.14 -0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.21 3kap h ARG 113 Cb 0.44 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 3kap h ARG 113 CO 0.02 0.32 0.14 0.78 -1.07 0.00 0.00 179.97 180.16 3kap h GLY 114 N 0.50 0.00 -2.21 0.04 0.00 -0.92 -1.23 103.07 99.25 3kap h GLY 114 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 3kap h GLY 114 CO -0.17 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.41 3kap n LEU 115 N -4.41 3.22 0.00 3.11 4.77 -0.75 -4.94 117.00 118.01 3kap n LEU 115 Ca 0.01 -1.60 0.00 0.00 -0.03 0.00 0.00 56.01 54.40 3kap n LEU 115 Cb 0.27 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 3kap n LEU 115 CO 0.34 0.80 0.00 0.61 -1.33 0.00 0.00 177.39 177.81 3kap n GLY 116 N 1.46 0.77 3.85 -0.72 0.00 -0.46 -3.74 105.19 106.34 3kap n GLY 116 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 3kap n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kap s ALA 117 N -2.10 3.09 -0.40 4.61 0.00 -0.71 -0.32 121.76 125.93 3kap s ALA 117 Ca 0.00 0.09 -0.13 0.00 0.00 0.00 0.00 51.96 51.92 3kap s ALA 117 Cb 0.00 -3.08 0.03 0.00 0.00 0.00 0.00 23.12 20.07 3kap s ALA 117 CO 0.00 -0.32 0.27 -2.00 0.00 0.00 0.00 175.76 173.71 3kap s GLU 118 N -4.31 2.88 -0.29 0.00 2.12 0.78 -4.37 118.70 115.52 3kap s GLU 118 Ca 0.57 -1.11 -0.21 0.00 0.36 0.00 0.00 54.97 54.59 3kap s GLU 118 Cb -0.10 -3.88 -0.01 0.00 0.26 0.00 0.00 34.13 30.39 3kap s GLU 118 CO 0.36 -0.77 0.65 0.14 -0.54 0.00 0.00 175.26 175.10 3kap s VAL 119 N 1.61 4.94 0.27 3.70 -7.23 -1.26 -0.56 120.40 121.86 3kap s VAL 119 Ca 0.03 0.98 0.02 0.00 -1.81 0.00 0.00 61.98 61.20 3kap s VAL 119 Cb -0.20 -4.00 0.05 0.00 0.56 0.00 0.00 36.38 32.80 3kap s VAL 119 CO 0.08 -0.10 1.70 0.40 -0.31 0.00 0.00 175.10 176.87 3kap h ILE 120 N 5.51 1.27 -2.88 -0.62 5.03 -1.21 -3.47 117.51 121.13 3kap h ILE 120 Ca -0.26 -1.33 0.02 0.00 -0.12 0.00 0.00 64.86 63.17 3kap h ILE 120 Cb 1.12 1.39 0.00 0.00 -3.03 0.00 0.00 36.82 36.29 3kap h ILE 120 CO 0.80 0.42 0.36 0.00 -0.68 0.00 0.00 178.15 179.05 3kap s GLU 122 N -2.08 4.57 0.65 0.00 0.41 -1.26 -4.71 118.70 116.27 3kap s GLU 122 Ca 0.18 1.87 -0.16 0.00 -0.41 0.00 0.00 54.97 56.45 3kap s GLU 122 Cb -0.04 -3.19 -0.01 0.00 -1.78 0.00 0.00 34.13 29.11 3kap s GLU 122 CO 0.10 0.09 1.15 0.20 -0.49 0.00 0.00 175.26 176.31 3kap s GLY 123 N -0.57 2.35 0.14 -1.39 0.00 -1.26 -4.91 107.32 101.69 3kap s GLY 123 Ca 0.47 0.73 -0.29 0.00 0.00 0.00 0.00 44.72 45.63 3kap s GLY 123 CO 0.41 1.10 0.93 -2.27 0.00 0.00 0.00 173.10 173.28 3kap s LEU 124 N -4.65 4.54 -0.15 0.66 2.96 -0.23 -4.93 118.68 116.87 3kap s LEU 124 Ca 0.71 1.80 -0.00 0.00 -0.22 0.00 0.00 54.13 56.42 3kap s LEU 124 Cb -0.24 -3.55 0.03 0.00 0.50 0.00 0.00 46.19 42.93 3kap s LEU 124 CO 0.39 0.01 -0.08 -0.54 -1.32 0.00 0.00 176.35 174.80 3kap s LYS 125 N -0.34 1.68 0.04 1.98 1.02 -1.26 -1.46 119.74 121.39 3kap s LYS 125 Ca 0.44 -0.49 0.04 0.00 0.02 0.00 0.00 55.97 55.99 3kap s LYS 125 Cb -0.24 -1.95 -0.02 0.00 -0.52 0.00 0.00 37.83 35.10 3kap s LYS 125 CO 0.30 -0.35 -0.12 0.42 -0.92 0.00 0.00 175.35 174.67 3kap s ILE 126 N 1.60 0.96 -0.10 2.17 1.01 -0.85 -5.02 121.20 120.97 3kap s ILE 126 Ca 0.02 -0.95 -0.18 0.00 0.00 0.00 0.00 60.65 59.54 3kap s ILE 126 Cb -0.14 -0.89 -0.04 0.00 0.01 0.00 0.00 42.46 41.40 3kap s ILE 126 CO -0.08 -0.05 0.49 -1.61 0.00 0.00 0.00 174.94 173.69 3kap s GLU 127 N -1.13 4.33 3.21 2.79 2.02 -1.26 -0.68 118.70 127.97 3kap s GLU 127 Ca -0.00 0.48 0.00 0.00 0.02 0.00 0.00 54.97 55.47 3kap s GLU 127 Cb -0.08 -3.42 0.00 0.00 0.10 0.00 0.00 34.13 30.73 3kap s GLU 127 CO 0.01 0.19 0.00 0.41 0.02 0.00 0.00 175.26 175.89 3kap n GLY 128 N 3.15 -0.25 3.94 -1.39 0.00 -1.18 -4.78 105.19 104.68 3kap n GLY 128 Ca -0.07 -1.08 -0.23 0.00 0.00 0.00 0.00 46.02 44.64 3kap n GLY 128 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3kap s ASP 129 N -4.00 4.84 0.40 1.61 -4.77 -1.26 -4.69 116.67 108.80 3kap s ASP 129 Ca 0.00 -1.05 0.11 0.00 -3.30 0.00 0.00 52.55 48.31 3kap s ASP 129 Cb 0.00 0.21 0.91 0.00 -1.09 0.00 0.00 42.92 42.94 3kap s ASP 129 CO 0.00 -1.09 1.94 0.00 0.70 0.00 0.00 175.17 176.72 3kap h ALA 130 N 0.64 1.91 0.00 2.11 0.00 -1.84 -0.61 119.26 121.47 3kap h ALA 130 Ca -0.36 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3kap h ALA 130 Cb 1.29 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3kap h ALA 130 CO 0.53 -0.07 0.00 -1.13 0.00 0.00 0.00 179.25 178.58 3kap n SER 131 N -4.49 0.00 0.14 0.00 3.41 -1.26 -2.61 113.62 108.81 3kap n SER 131 Ca 0.12 -0.14 0.05 0.00 -0.26 0.00 0.00 58.87 58.65 3kap n SER 131 Cb 0.38 -0.26 0.04 0.00 -0.26 0.00 0.00 64.21 64.11 3kap n SER 131 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3kap h SER 132 N 0.00 0.00 -1.35 4.04 4.64 -1.42 -3.40 113.55 116.06 3kap h SER 132 Ca 0.00 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.87 3kap h SER 132 Cb 0.22 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 62.00 3kap h SER 132 CO 0.00 0.36 -0.91 -0.67 -0.87 0.00 0.00 176.83 174.74 3kap n ASP 133 N -3.11 -0.82 0.22 4.97 4.64 -1.07 -5.00 116.55 116.37 3kap n ASP 133 Ca 0.01 -2.90 0.05 0.00 -1.38 0.00 0.00 54.79 50.57 3kap n ASP 133 Cb 0.69 0.17 0.49 0.00 -1.04 0.00 0.00 41.12 41.43 3kap n ASP 133 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 3kap h PRO 134 N 3.98 0.00 0.00 -0.67 0.13 -1.75 -2.58 132.00 131.12 3kap h PRO 134 Ca -0.00 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.94 3kap h PRO 134 Cb 0.93 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.04 3kap h PRO 134 CO 0.42 0.22 -0.86 -0.44 -0.23 0.00 0.00 178.00 177.10 3kap h ASP 135 N 0.00 0.16 -0.00 1.44 3.45 -1.94 -1.05 116.42 118.47 3kap h ASP 135 Ca -0.00 -0.13 -0.20 0.00 0.43 0.00 0.00 57.03 57.12 3kap h ASP 135 Cb 0.40 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 39.13 3kap h ASP 135 CO 0.03 0.95 -0.74 0.00 -1.57 0.00 0.00 179.24 177.91 3kap h ALA 136 N 1.04 0.44 -0.05 3.45 0.00 -1.87 -1.16 119.26 121.12 3kap h ALA 136 Ca -0.03 -0.59 -0.00 0.00 0.00 0.00 0.00 54.91 54.28 3kap h ALA 136 Cb 1.50 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 3kap h ALA 136 CO 0.12 0.71 0.02 0.28 0.00 0.00 0.00 179.25 180.39 3kap h VAL 137 N 0.45 1.10 -0.72 0.00 2.07 -1.41 -1.64 116.25 116.09 3kap h VAL 137 Ca -0.04 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.20 3kap h VAL 137 Cb 1.34 1.20 -0.04 0.00 -1.52 0.00 0.00 31.29 32.28 3kap h VAL 137 CO 0.14 0.08 0.46 0.28 0.02 0.00 0.00 177.57 178.56 3kap h SER 138 N -0.04 0.85 -0.30 0.57 0.02 -1.12 -1.52 113.55 112.01 3kap h SER 138 Ca 0.02 -0.04 -0.11 0.00 -0.84 0.00 0.00 61.79 60.82 3kap h SER 138 Cb 0.11 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 3kap h SER 138 CO -0.00 0.63 -0.20 0.00 -1.14 0.00 0.00 176.83 176.12 3kap h ALA 139 N 1.25 0.90 -0.43 3.77 0.00 -1.11 -1.67 119.26 121.97 3kap h ALA 139 Ca 0.26 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3kap h ALA 139 Cb -0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3kap h ALA 139 CO -0.05 0.62 0.07 0.35 0.00 0.00 0.00 179.25 180.24 3kap h PHE 140 N 0.68 0.76 -0.79 0.00 3.04 -1.01 -0.41 116.94 119.20 3kap h PHE 140 Ca 0.10 -0.11 -0.00 0.00 3.98 0.00 0.00 57.97 61.94 3kap h PHE 140 Cb 0.70 -0.21 -0.04 0.00 2.56 0.00 0.00 35.95 38.97 3kap h PHE 140 CO 0.04 0.73 0.48 0.00 -2.02 0.00 0.00 178.31 177.53 3kap h ALA 141 N 0.94 1.00 -0.52 2.41 0.00 -1.07 -0.51 119.26 121.50 3kap h ALA 141 Ca 0.13 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3kap h ALA 141 Cb 0.38 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3kap h ALA 141 CO 0.01 0.46 0.31 0.93 0.00 0.00 0.00 179.25 180.97 3kap h GLU 142 N 1.08 0.61 -0.81 0.00 5.08 -1.16 0.90 114.58 120.27 3kap h GLU 142 Ca 0.28 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.58 3kap h GLU 142 Cb -0.05 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.03 3kap h GLU 142 CO -0.05 0.40 0.42 -0.44 -1.00 0.00 0.00 179.01 178.33 3kap h ASP 143 N 0.63 1.03 -0.15 1.42 3.32 -0.28 -2.69 116.42 119.71 3kap h ASP 143 Ca 0.21 -0.11 -0.20 0.00 0.02 0.00 0.00 57.03 56.96 3kap h ASP 143 Cb 0.02 -0.26 0.01 0.00 0.22 0.00 0.00 39.33 39.31 3kap h ASP 143 CO -0.09 0.85 -0.68 -0.37 -1.72 0.00 0.00 179.24 177.23 3kap h VAL 144 N 1.15 1.30 -0.66 -1.35 -1.51 -0.40 -3.11 116.25 111.68 3kap h VAL 144 Ca 0.28 -1.91 0.02 0.00 -1.23 0.00 0.00 66.70 63.86 3kap h VAL 144 Cb 0.07 2.02 -0.03 0.00 -2.13 0.00 0.00 31.29 31.22 3kap h VAL 144 CO -0.04 0.60 0.43 0.25 -1.23 0.00 0.00 177.57 177.58 3kap h LEU 145 N 0.42 0.72 -1.17 4.19 5.85 -0.72 -0.19 115.31 124.41 3kap h LEU 145 Ca -0.04 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.60 3kap h LEU 145 Cb 1.32 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 3kap h LEU 145 CO 0.14 0.52 -0.28 0.11 -0.34 0.00 0.00 178.44 178.59 3kap h LYS 146 N 0.85 0.00 0.00 1.25 1.57 -1.48 -3.10 116.57 115.66 3kap h LYS 146 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 3kap h LYS 146 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.27 3kap h LYS 146 CO -0.06 0.28 -0.81 1.63 -0.57 0.00 0.00 179.45 179.92 3kap n LYS 147 N -3.53 0.10 0.00 3.15 4.76 -0.20 -5.13 118.16 117.31 3kap n LYS 147 Ca -0.00 -0.00 0.15 0.00 -2.87 0.00 0.00 58.31 55.58 3kap n LYS 147 Cb 0.43 -1.53 0.89 0.00 -1.84 0.00 0.00 35.03 32.98 3kap n LYS 147 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31