#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fax s LYS 2 N 0.00 0.17 -0.10 0.03 1.02 -1.26 -0.77 119.74 118.82 2fax s LYS 2 Ca 0.00 -0.23 0.02 0.00 0.02 0.00 0.00 55.97 55.78 2fax s LYS 2 Cb 0.00 0.07 0.01 0.00 -0.52 0.00 0.00 37.83 37.39 2fax s LYS 2 CO 0.00 -0.03 -0.15 0.42 -0.92 0.00 0.00 175.35 174.67 2fax s ILE 3 N -0.63 1.48 -0.13 2.17 1.01 0.13 -3.54 121.20 121.69 2fax s ILE 3 Ca -0.07 -0.63 0.02 0.00 0.00 0.00 0.00 60.65 59.97 2fax s ILE 3 Cb -0.04 -1.35 -0.00 0.00 0.01 0.00 0.00 42.46 41.08 2fax s ILE 3 CO -0.00 0.44 -0.19 -0.69 0.00 0.00 0.00 174.94 174.49 2fax s VAL 4 N 0.95 2.45 0.13 2.92 1.01 -0.10 0.25 120.40 128.01 2fax s VAL 4 Ca -0.07 -0.87 -0.06 0.00 0.00 0.00 0.00 61.98 60.98 2fax s VAL 4 Cb -0.15 -1.99 -0.02 0.00 0.00 0.00 0.00 36.38 34.22 2fax s VAL 4 CO -0.01 0.54 0.18 -0.72 0.00 0.00 0.00 175.10 175.09 2fax s TYR 5 N 0.51 0.45 -0.05 5.22 1.13 -0.81 -0.75 117.35 123.06 2fax s TYR 5 Ca -0.12 -0.85 0.04 0.00 -1.41 0.00 0.00 57.07 54.72 2fax s TYR 5 Cb -0.17 -0.18 0.00 0.00 -1.10 0.00 0.00 41.96 40.52 2fax s TYR 5 CO 0.05 -0.61 -0.15 -0.46 -2.51 0.00 0.00 175.55 171.87 2fax s TRP 6 N -3.96 1.61 -0.06 -3.49 -0.00 -0.53 0.04 118.94 112.55 2fax s TRP 6 Ca 0.15 -0.49 -0.03 0.00 -0.00 0.00 0.00 56.10 55.73 2fax s TRP 6 Cb 0.05 -1.10 0.04 0.00 -0.00 0.00 0.00 33.47 32.46 2fax s TRP 6 CO -0.03 -0.19 0.14 0.45 -0.00 0.00 0.00 176.95 177.32 2fax s SER 7 N 0.19 -0.05 0.02 5.86 0.15 -1.26 -3.87 113.70 114.73 2fax s SER 7 Ca -0.06 0.28 0.16 0.00 0.70 0.00 0.00 55.95 57.02 2fax s SER 7 Cb -0.12 0.17 -0.17 0.00 -1.71 0.00 0.00 66.02 64.18 2fax s SER 7 CO 0.03 -0.15 0.73 0.61 1.20 0.00 0.00 173.24 175.65 2fax n GLY 8 N 4.26 -1.13 0.00 9.45 0.00 -1.26 -4.46 105.19 112.06 2fax n GLY 8 Ca -0.26 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.64 2fax n GLY 8 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2fax n THR 9 N -2.91 0.00 0.00 2.61 -2.24 -1.26 -5.02 114.28 105.46 2fax n THR 9 Ca -0.13 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 2fax n THR 9 Cb 0.91 1.29 0.00 0.00 -2.10 0.00 0.00 70.33 70.43 2fax n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2fax n GLY 10 N 0.17 0.55 0.06 3.38 0.00 -1.26 -5.00 105.19 103.09 2fax n GLY 10 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2fax n GLY 10 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2fax h ASN 11 N 0.00 -0.02 0.46 1.61 -0.26 -1.94 -0.38 115.58 115.06 2fax h ASN 11 Ca 0.00 -0.35 -0.10 0.00 -0.56 0.00 0.00 56.30 55.29 2fax h ASN 11 Cb 0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.25 2fax h ASN 11 CO 0.00 0.34 -0.48 0.74 -1.06 0.00 0.00 177.43 176.97 2fax h THR 12 N -0.38 1.34 -0.46 2.81 2.02 -1.88 -1.93 112.91 114.43 2fax h THR 12 Ca -0.00 -1.64 -0.04 0.00 0.77 0.00 0.00 66.41 65.50 2fax h THR 12 Cb 0.37 1.88 -0.02 0.00 -1.74 0.00 0.00 68.15 68.63 2fax h THR 12 CO 0.00 0.47 0.14 -0.08 0.37 0.00 0.00 175.52 176.43 2fax h GLU 13 N 0.01 0.71 -0.84 6.66 4.81 -1.81 -0.18 114.58 123.94 2fax h GLU 13 Ca -0.00 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 59.04 2fax h GLU 13 Cb 0.85 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.09 2fax h GLU 13 CO 0.06 0.69 0.41 -0.22 -0.73 0.00 0.00 179.01 179.22 2fax h LYS 14 N 0.61 1.21 -0.39 1.92 1.63 -0.74 -1.40 116.57 119.40 2fax h LYS 14 Ca 0.15 -0.17 0.02 0.00 -0.85 0.00 0.00 60.65 59.80 2fax h LYS 14 Cb 0.27 -0.22 -0.03 0.00 -0.60 0.00 0.00 32.23 31.65 2fax h LYS 14 CO -0.00 0.92 0.22 0.52 -3.45 0.00 0.00 179.45 177.66 2fax h MET 15 N 1.19 0.44 -0.84 1.90 2.86 -0.89 -1.61 114.93 117.98 2fax h MET 15 Ca 0.29 -0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.93 2fax h MET 15 Cb 0.10 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 31.62 2fax h MET 15 CO -0.04 0.29 0.54 0.00 1.06 0.00 0.00 176.91 178.76 2fax h ALA 16 N 1.18 1.10 -0.68 6.32 0.00 -0.49 0.20 119.26 126.90 2fax h ALA 16 Ca 0.16 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 2fax h ALA 16 Cb 0.02 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 2fax h ALA 16 CO -0.08 0.39 0.15 0.93 0.00 0.00 0.00 179.25 180.65 2fax h GLU 17 N 1.07 1.08 -0.16 0.00 5.08 -0.77 -0.84 114.58 120.03 2fax h GLU 17 Ca 0.33 -0.26 -0.19 0.00 -1.00 0.00 0.00 59.36 58.24 2fax h GLU 17 Cb -0.02 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.08 2fax h GLU 17 CO -0.10 0.96 -0.66 -0.07 -1.00 0.00 0.00 179.01 178.13 2fax h LEU 18 N 1.02 0.73 -0.63 1.33 3.38 -0.79 -0.77 115.31 119.58 2fax h LEU 18 Ca 0.21 -0.44 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 2fax h LEU 18 Cb 0.37 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 2fax h LEU 18 CO 0.00 1.20 0.20 0.40 0.09 0.00 0.00 178.44 180.34 2fax h ILE 19 N 0.46 1.25 -0.40 1.22 2.04 -0.78 -1.60 117.51 119.69 2fax h ILE 19 Ca -0.02 -0.84 -0.01 0.00 1.00 0.00 0.00 64.86 65.00 2fax h ILE 19 Cb 1.25 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 2fax h ILE 19 CO 0.13 0.32 0.23 0.00 0.00 0.00 0.00 178.15 178.83 2fax h ALA 20 N 1.08 0.51 -0.73 1.87 0.00 -1.03 -1.91 119.26 119.05 2fax h ALA 20 Ca 0.21 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.14 2fax h ALA 20 Cb 0.28 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.84 2fax h ALA 20 CO -0.01 0.03 0.37 -0.22 0.00 0.00 0.00 179.25 179.42 2fax h LYS 21 N 0.52 0.61 -0.54 0.00 3.64 -0.72 -0.36 116.57 119.73 2fax h LYS 21 Ca 0.14 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.46 2fax h LYS 21 Cb 0.04 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 2fax h LYS 21 CO -0.02 0.40 0.23 0.78 -2.27 0.00 0.00 179.45 178.57 2fax h GLY 22 N 0.63 0.85 1.00 5.01 0.00 -0.75 0.10 103.07 109.91 2fax h GLY 22 Ca 0.36 -0.45 -0.04 0.00 0.00 0.00 0.00 47.33 47.20 2fax h GLY 22 CO -0.27 0.42 0.22 -2.22 0.00 0.00 0.00 176.54 174.70 2fax h ILE 23 N 0.72 1.24 -0.50 2.60 2.04 -0.86 -1.94 117.51 120.81 2fax h ILE 23 Ca 0.18 -0.77 -0.08 0.00 1.00 0.00 0.00 64.86 65.20 2fax h ILE 23 Cb 0.17 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 2fax h ILE 23 CO -0.02 0.30 0.01 0.40 0.00 0.00 0.00 178.15 178.84 2fax h ILE 24 N 0.86 1.26 0.00 -0.67 2.04 -0.78 -2.39 117.51 117.84 2fax h ILE 24 Ca 0.20 -1.06 -0.02 0.00 1.00 0.00 0.00 64.86 64.98 2fax h ILE 24 Cb 0.24 0.96 -0.00 0.00 -0.74 0.00 0.00 36.82 37.28 2fax h ILE 24 CO -0.01 0.37 -0.11 -0.33 0.00 0.00 0.00 178.15 178.07 2fax h GLU 25 N 0.74 0.00 0.00 2.37 5.08 -0.59 0.27 114.58 122.45 2fax h GLU 25 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2fax h GLU 25 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2fax h GLU 25 CO 0.02 0.11 0.00 0.43 -1.00 0.00 0.00 179.01 178.58 2fax n SER 26 N -4.35 0.00 0.00 1.42 7.64 -0.75 -4.89 113.62 112.69 2fax n SER 26 Ca -0.03 -0.53 0.00 0.00 1.01 0.00 0.00 58.87 59.33 2fax n SER 26 Cb 0.19 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 2fax n SER 26 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2fax n GLY 27 N 0.66 0.89 3.66 0.23 0.00 0.96 -5.08 105.19 106.52 2fax n GLY 27 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 2fax n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fax s LYS 28 N -0.92 2.31 0.24 1.61 1.02 -1.00 -5.01 119.74 117.99 2fax s LYS 28 Ca 0.00 -1.43 -0.06 0.00 0.02 0.00 0.00 55.97 54.51 2fax s LYS 28 Cb 0.00 -2.17 -0.06 0.00 -0.52 0.00 0.00 37.83 35.09 2fax s LYS 28 CO 0.00 0.34 0.51 0.34 -0.92 0.00 0.00 175.35 175.62 2fax s ASP 29 N -3.69 6.49 -0.25 2.83 2.15 -1.26 -3.52 116.67 119.41 2fax s ASP 29 Ca 0.32 0.71 -0.20 0.00 0.43 0.00 0.00 52.55 53.81 2fax s ASP 29 Cb -0.06 -2.14 0.07 0.00 -0.30 0.00 0.00 42.92 40.49 2fax s ASP 29 CO 0.20 -0.11 0.65 0.54 -0.17 0.00 0.00 175.17 176.28 2fax s VAL 30 N -1.93 -0.00 -0.12 1.11 0.11 -1.26 0.16 120.40 118.47 2fax s VAL 30 Ca 0.44 0.01 -0.04 0.00 -2.93 0.00 0.00 61.98 59.46 2fax s VAL 30 Cb -0.11 -0.91 -0.03 0.00 -1.53 0.00 0.00 36.38 33.79 2fax s VAL 30 CO 0.27 0.00 0.02 0.20 -3.33 0.00 0.00 175.10 172.26 2fax s ASN 31 N 0.75 5.36 -0.24 3.54 -0.87 0.05 -4.89 114.94 118.63 2fax s ASN 31 Ca -0.03 0.13 -0.09 0.00 -1.57 0.00 0.00 52.86 51.30 2fax s ASN 31 Cb -0.05 -1.67 -0.04 0.00 -0.02 0.00 0.00 41.25 39.47 2fax s ASN 31 CO -0.05 0.31 0.11 -0.89 -2.57 0.00 0.00 177.10 174.01 2fax s THR 32 N -0.48 4.81 -0.11 1.60 2.01 -1.26 -0.69 115.64 121.52 2fax s THR 32 Ca 0.09 -0.01 0.02 0.00 0.31 0.00 0.00 61.69 62.10 2fax s THR 32 Cb -0.12 -3.25 0.01 0.00 0.01 0.00 0.00 72.50 69.16 2fax s THR 32 CO 0.02 0.34 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.50 2fax s ILE 33 N 1.36 1.52 0.36 1.82 1.01 0.14 -4.95 121.20 122.46 2fax s ILE 33 Ca 0.06 -0.66 -0.27 0.00 0.00 0.00 0.00 60.65 59.78 2fax s ILE 33 Cb -0.15 -1.38 -0.09 0.00 0.01 0.00 0.00 42.46 40.85 2fax s ILE 33 CO 0.05 0.44 1.19 0.21 0.00 0.00 0.00 174.94 176.84 2fax s ASN 34 N 0.93 6.74 0.47 3.58 3.84 -1.26 -1.92 114.94 127.33 2fax s ASN 34 Ca -0.08 2.43 0.20 0.00 0.21 0.00 0.00 52.86 55.63 2fax s ASN 34 Cb -0.15 -2.63 1.21 0.00 -0.55 0.00 0.00 41.25 39.13 2fax s ASN 34 CO -0.01 -0.53 1.94 1.62 -2.79 0.00 0.00 177.10 177.34 2fax h VAL 35 N 2.68 0.75 0.00 -5.21 3.04 -0.74 0.06 116.25 116.83 2fax h VAL 35 Ca -0.48 -0.08 0.00 0.00 -1.01 0.00 0.00 66.70 65.13 2fax h VAL 35 Cb 1.23 0.49 0.00 0.00 -2.01 0.00 0.00 31.29 31.00 2fax h VAL 35 CO 0.64 0.04 0.00 0.77 -1.01 0.00 0.00 177.57 178.02 2fax h SER 36 N 0.24 0.00 -0.24 3.17 4.64 -1.90 -2.49 113.55 116.96 2fax h SER 36 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 2fax h SER 36 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 2fax h SER 36 CO -0.07 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.36 2fax n ASP 37 N -2.45 2.65 -4.76 4.97 8.00 -0.00 -5.04 116.55 119.92 2fax n ASP 37 Ca 0.01 -1.80 -0.39 0.00 0.71 0.00 0.00 54.79 53.32 2fax n ASP 37 Cb 0.21 -0.15 0.01 0.00 -0.02 0.00 0.00 41.12 41.17 2fax n ASP 37 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2fax s VAL 38 N -1.04 2.42 -0.30 2.53 0.11 -0.94 -4.95 120.40 118.23 2fax s VAL 38 Ca 0.22 0.34 -0.02 0.00 -2.93 0.00 0.00 61.98 59.59 2fax s VAL 38 Cb 0.13 -3.19 0.05 0.00 -1.53 0.00 0.00 36.38 31.84 2fax s VAL 38 CO 0.18 0.02 0.01 0.21 -3.33 0.00 0.00 175.10 172.19 2fax s ASN 39 N -0.89 4.93 0.17 3.54 3.84 -1.26 -5.02 114.94 120.24 2fax s ASN 39 Ca 0.64 -1.27 -0.15 0.00 0.21 0.00 0.00 52.86 52.30 2fax s ASN 39 Cb -0.38 -1.72 0.11 0.00 -0.55 0.00 0.00 41.25 38.70 2fax s ASN 39 CO 0.47 -0.27 1.75 0.40 -2.79 0.00 0.00 177.10 176.67 2fax h ILE 40 N 6.44 0.88 -0.68 -5.21 1.08 -1.99 -1.96 117.51 116.08 2fax h ILE 40 Ca -0.21 -0.11 -0.05 0.00 -0.39 0.00 0.00 64.86 64.10 2fax h ILE 40 Cb 1.06 0.52 -0.03 0.00 -3.07 0.00 0.00 36.82 35.31 2fax h ILE 40 CO 0.54 0.06 0.23 0.44 -0.69 0.00 0.00 178.15 178.73 2fax h ASP 41 N 0.33 0.96 0.39 1.72 3.32 -1.99 -0.52 116.42 120.64 2fax h ASP 41 Ca 0.20 -0.16 -0.12 0.00 0.02 0.00 0.00 57.03 56.97 2fax h ASP 41 Cb 0.17 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 2fax h ASP 41 CO -0.19 0.88 -0.52 -0.33 -1.72 0.00 0.00 179.24 177.36 2fax h GLU 42 N 1.00 0.14 -0.09 3.56 5.08 -1.97 -3.05 114.58 119.25 2fax h GLU 42 Ca 0.23 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 2fax h GLU 42 Cb 0.25 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 2fax h GLU 42 CO -0.01 0.63 -0.10 1.25 -1.00 0.00 0.00 179.01 179.77 2fax h LEU 43 N 0.11 0.25 -0.68 1.33 5.85 -0.60 -3.11 115.31 118.47 2fax h LEU 43 Ca 0.00 -0.50 0.00 0.00 0.84 0.00 0.00 57.88 58.23 2fax h LEU 43 Cb 0.95 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.91 2fax h LEU 43 CO 0.07 0.70 0.00 0.18 -0.34 0.00 0.00 178.44 179.05 2fax n LEU 44 N -4.65 0.34 0.20 2.25 4.77 -0.27 -1.34 117.00 118.29 2fax n LEU 44 Ca -0.07 0.63 0.09 0.00 -0.03 0.00 0.00 56.01 56.64 2fax n LEU 44 Cb 0.33 -0.64 0.13 0.00 -2.33 0.00 0.00 43.42 40.91 2fax n LEU 44 CO 0.37 -0.65 0.70 -1.13 -1.33 0.00 0.00 177.39 175.36 2fax h ASN 45 N 0.00 0.00 -3.99 -1.43 -1.24 -1.46 -3.47 115.58 104.00 2fax h ASN 45 Ca 0.00 0.00 -0.51 0.00 0.71 0.00 0.00 56.30 56.50 2fax h ASN 45 Cb 0.11 0.00 0.07 0.00 0.73 0.00 0.00 38.32 39.23 2fax h ASN 45 CO 0.00 0.13 0.52 -1.61 -1.29 0.00 0.00 177.43 175.18 2fax s GLU 46 N -3.15 3.79 0.23 6.67 0.41 -0.45 -4.95 118.70 121.25 2fax s GLU 46 Ca 0.06 1.88 0.03 0.00 -0.41 0.00 0.00 54.97 56.52 2fax s GLU 46 Cb 0.06 -2.49 0.25 0.00 -1.78 0.00 0.00 34.13 30.16 2fax s GLU 46 CO 0.69 -0.56 1.57 0.22 -0.49 0.00 0.00 175.26 176.69 2fax h ASP 47 N 2.19 0.37 -3.42 -0.19 3.58 -1.90 -3.43 116.42 113.62 2fax h ASP 47 Ca -0.49 -0.20 -0.47 0.00 0.42 0.00 0.00 57.03 56.29 2fax h ASP 47 Cb 1.25 -0.10 -0.34 0.00 1.72 0.00 0.00 39.33 41.86 2fax h ASP 47 CO 0.61 0.85 -0.80 -0.63 -2.88 0.00 0.00 179.24 176.39 2fax s ILE 48 N -3.90 0.88 -0.27 2.25 1.01 -1.26 -3.80 121.20 116.11 2fax s ILE 48 Ca -0.05 -0.32 -0.14 0.00 0.00 0.00 0.00 60.65 60.15 2fax s ILE 48 Cb 0.12 -0.84 -0.04 0.00 0.01 0.00 0.00 42.46 41.71 2fax s ILE 48 CO 0.81 0.30 0.31 -0.76 0.00 0.00 0.00 174.94 175.60 2fax s LEU 49 N 0.84 4.03 -0.36 2.97 1.43 -0.32 -4.61 118.68 122.66 2fax s LEU 49 Ca -0.12 0.19 -0.07 0.00 -1.03 0.00 0.00 54.13 53.10 2fax s LEU 49 Cb -0.15 -2.32 0.05 0.00 0.03 0.00 0.00 46.19 43.80 2fax s LEU 49 CO 0.01 -0.14 0.14 -0.63 0.23 0.00 0.00 176.35 175.97 2fax s ILE 50 N 1.96 3.89 -0.09 -0.59 1.01 -1.23 -0.33 121.20 125.81 2fax s ILE 50 Ca 0.12 -1.21 0.04 0.00 0.00 0.00 0.00 60.65 59.60 2fax s ILE 50 Cb -0.16 -3.26 -0.01 0.00 0.01 0.00 0.00 42.46 39.05 2fax s ILE 50 CO 0.10 -0.27 -0.22 -0.76 0.00 0.00 0.00 174.94 173.80 2fax s LEU 51 N 1.40 2.23 0.02 2.97 1.43 -0.23 -0.92 118.68 125.58 2fax s LEU 51 Ca -0.00 -0.49 0.03 0.00 -1.03 0.00 0.00 54.13 52.64 2fax s LEU 51 Cb -0.20 -1.45 -0.02 0.00 0.03 0.00 0.00 46.19 44.56 2fax s LEU 51 CO 0.03 0.19 -0.10 -0.83 0.23 0.00 0.00 176.35 175.86 2fax s GLY 52 N 0.18 0.56 -0.28 -3.19 0.00 0.07 -1.64 107.32 103.02 2fax s GLY 52 Ca -0.13 -0.60 -0.21 0.00 0.00 0.00 0.00 44.72 43.78 2fax s GLY 52 CO 0.07 -0.57 0.83 0.00 0.00 0.00 0.00 173.10 173.42 2fax s SER 54 N 0.82 3.45 -0.20 0.00 1.04 -1.25 -4.31 113.70 113.24 2fax s SER 54 Ca -0.03 1.29 -0.29 0.00 0.48 0.00 0.00 55.95 57.40 2fax s SER 54 Cb -0.05 -1.96 -0.00 0.00 0.10 0.00 0.00 66.02 64.11 2fax s SER 54 CO -0.09 -2.63 1.15 0.00 0.98 0.00 0.00 173.24 172.65 2fax s ALA 55 N -3.04 3.67 0.43 5.32 0.00 -0.66 -4.36 121.76 123.12 2fax s ALA 55 Ca 0.63 0.30 0.07 0.00 0.00 0.00 0.00 51.96 52.96 2fax s ALA 55 Cb -0.17 -3.59 -0.05 0.00 0.00 0.00 0.00 23.12 19.31 2fax s ALA 55 CO 0.56 -1.13 0.16 -1.64 0.00 0.00 0.00 175.76 173.71 2fax s MET 56 N 3.36 2.19 0.00 0.00 -1.94 -0.20 -4.86 119.30 117.85 2fax s MET 56 Ca 0.49 -1.92 0.00 0.00 -1.71 0.00 0.00 55.69 52.55 2fax s MET 56 Cb -0.18 -1.91 0.00 0.00 2.01 0.00 0.00 34.83 34.74 2fax s MET 56 CO 0.10 -0.15 0.00 0.41 -0.01 0.00 0.00 175.02 175.37 2fax n GLY 57 N -1.23 0.00 3.35 -0.03 0.00 -1.26 -0.77 105.19 105.25 2fax n GLY 57 Ca -0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 2fax n GLY 57 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2fax n ASP 58 N 0.00 -4.78 -3.51 1.61 8.00 -1.26 -3.69 116.55 112.92 2fax n ASP 58 Ca 0.00 -0.52 -0.20 0.00 0.71 0.00 0.00 54.79 54.78 2fax n ASP 58 Cb 0.00 -4.67 0.06 0.00 -0.02 0.00 0.00 41.12 36.49 2fax n ASP 58 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2fax n GLU 59 N -4.38 -4.08 -4.36 -1.24 -0.58 -0.51 -4.99 120.64 100.50 2fax n GLU 59 Ca -0.08 0.72 -0.18 0.00 -0.42 0.00 0.00 57.16 57.20 2fax n GLU 59 Cb 0.59 -5.37 -0.10 0.00 -0.57 0.00 0.00 31.44 25.98 2fax n GLU 59 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 2fax s VAL 60 N -3.49 0.83 0.59 2.62 -7.23 0.05 -3.99 120.40 109.79 2fax s VAL 60 Ca 0.19 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.19 2fax s VAL 60 Cb -0.04 -2.62 -0.03 0.00 0.56 0.00 0.00 36.38 34.24 2fax s VAL 60 CO 0.78 -0.07 1.09 -0.76 -0.31 0.00 0.00 175.10 175.83 2fax s LEU 61 N -3.36 3.55 0.20 1.32 1.43 -1.26 -1.03 118.68 119.53 2fax s LEU 61 Ca 0.35 1.97 -0.33 0.00 -1.03 0.00 0.00 54.13 55.10 2fax s LEU 61 Cb 0.08 -4.55 -0.13 0.00 0.03 0.00 0.00 46.19 41.61 2fax s LEU 61 CO 0.13 -1.29 1.53 1.21 0.23 0.00 0.00 176.35 178.16 2fax n GLU 62 N -1.89 2.19 0.10 1.70 0.00 -1.26 -4.76 120.64 116.71 2fax n GLU 62 Ca 0.10 0.78 -0.17 0.00 0.00 0.00 0.00 57.16 57.87 2fax n GLU 62 Cb 0.52 -2.52 -0.14 0.00 0.00 0.00 0.00 31.44 29.30 2fax n GLU 62 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 2fax h GLU 63 N 5.30 0.30 -0.00 5.31 5.08 -1.97 0.39 114.58 128.99 2fax h GLU 63 Ca -0.45 -0.51 -0.16 0.00 -1.00 0.00 0.00 59.36 57.24 2fax h GLU 63 Cb 1.26 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.67 2fax h GLU 63 CO 0.84 1.23 -0.76 0.66 -1.00 0.00 0.00 179.01 179.98 2fax h SER 64 N 0.08 0.00 0.00 1.42 4.64 -2.01 -3.40 113.55 114.29 2fax h SER 64 Ca -0.16 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 2fax h SER 64 Cb 2.00 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.09 2fax h SER 64 CO 0.21 0.76 -0.48 -0.62 -0.87 0.00 0.00 176.83 175.84 2fax n GLU 65 N -3.64 0.00 -0.01 4.77 1.02 -1.26 -4.77 120.64 116.75 2fax n GLU 65 Ca -0.01 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.01 2fax n GLU 65 Cb 0.74 -0.31 -0.08 0.00 -0.02 0.00 0.00 31.44 31.76 2fax n GLU 65 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2fax h PHE 66 N 0.00 0.08 -0.15 -0.32 3.57 -1.83 -2.81 116.94 115.49 2fax h PHE 66 Ca 0.00 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.54 2fax h PHE 66 Cb 0.48 -0.02 -0.06 0.00 2.79 0.00 0.00 35.95 39.13 2fax h PHE 66 CO 0.00 0.35 -0.26 1.49 -2.23 0.00 0.00 178.31 177.66 2fax h GLU 67 N -0.21 -0.30 -0.01 1.11 4.57 -1.14 -1.09 114.58 117.51 2fax h GLU 67 Ca 0.01 0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.20 2fax h GLU 67 Cb 0.32 0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 28.98 2fax h GLU 67 CO 0.00 -0.20 -0.06 -1.00 -1.18 0.00 0.00 179.01 176.57 2fax h PRO 68 N -0.32 0.01 -0.23 0.92 0.13 -1.76 -0.74 132.00 130.02 2fax h PRO 68 Ca 0.11 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.22 2fax h PRO 68 Cb 0.48 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.59 2fax h PRO 68 CO -0.33 0.08 0.07 0.35 -0.23 0.00 0.00 178.00 177.93 2fax h PHE 69 N 0.01 0.37 -0.70 1.56 3.57 -1.02 -0.47 116.94 120.26 2fax h PHE 69 Ca 0.00 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 2fax h PHE 69 Cb 0.12 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 2fax h PHE 69 CO 0.00 0.43 0.37 0.82 -2.23 0.00 0.00 178.31 177.71 2fax h ILE 70 N 0.20 1.22 -0.63 1.41 1.08 -0.45 -2.04 117.51 118.30 2fax h ILE 70 Ca 0.07 -0.56 -0.00 0.00 -0.39 0.00 0.00 64.86 63.98 2fax h ILE 70 Cb 0.24 0.31 -0.03 0.00 -3.07 0.00 0.00 36.82 34.27 2fax h ILE 70 CO -0.00 0.24 0.38 -0.33 -0.69 0.00 0.00 178.15 177.75 2fax h GLU 71 N 0.96 0.85 -0.68 2.37 4.39 -0.99 0.15 114.58 121.63 2fax h GLU 71 Ca 0.24 -0.07 -0.06 0.00 0.34 0.00 0.00 59.36 59.81 2fax h GLU 71 Cb 0.05 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.49 2fax h GLU 71 CO -0.04 0.60 0.17 1.49 -1.16 0.00 0.00 179.01 180.08 2fax h GLU 72 N 0.85 1.09 0.00 2.33 4.81 -0.57 -2.97 114.58 120.12 2fax h GLU 72 Ca 0.23 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2fax h GLU 72 Cb -0.03 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.20 2fax h GLU 72 CO -0.04 0.96 -0.30 0.44 -0.73 0.00 0.00 179.01 179.34 2fax n ILE 73 N -4.28 0.33 -0.36 2.32 -5.35 -0.82 -4.38 119.36 106.83 2fax n ILE 73 Ca 0.05 -0.20 0.30 0.00 -0.27 0.00 0.00 62.75 62.63 2fax n ILE 73 Cb 0.25 -0.29 0.61 0.00 -1.74 0.00 0.00 39.64 38.46 2fax n ILE 73 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 2fax h SER 74 N 0.00 0.28 -0.01 7.28 4.64 -0.79 -0.24 113.55 124.71 2fax h SER 74 Ca 0.00 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2fax h SER 74 Cb 0.67 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 2fax h SER 74 CO 0.00 0.01 -0.04 0.35 -0.87 0.00 0.00 176.83 176.27 2fax n THR 75 N -4.51 0.00 -1.04 2.95 -2.24 -1.26 -4.22 114.28 103.96 2fax n THR 75 Ca 0.28 -0.37 0.09 0.00 -2.27 0.00 0.00 64.05 61.79 2fax n THR 75 Cb 1.12 1.03 0.20 0.00 -2.10 0.00 0.00 70.33 70.57 2fax n THR 75 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2fax n LYS 76 N 0.70 2.03 -0.13 -0.78 5.02 -0.10 -4.69 118.16 120.21 2fax n LYS 76 Ca 0.16 -2.71 0.03 0.00 -2.02 0.00 0.00 58.31 53.77 2fax n LYS 76 Cb 0.48 -1.66 0.05 0.00 -0.02 0.00 0.00 35.03 33.88 2fax n LYS 76 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 2fax n ILE 77 N -1.02 0.93 -1.87 -0.18 -5.35 -1.21 -5.00 119.36 105.66 2fax n ILE 77 Ca 0.19 -1.05 -0.42 0.00 -0.27 0.00 0.00 62.75 61.19 2fax n ILE 77 Cb 0.76 0.34 -0.02 0.00 -1.74 0.00 0.00 39.64 38.97 2fax n ILE 77 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2fax s SER 78 N -1.46 6.50 0.00 7.28 0.15 -1.24 -1.49 113.70 123.44 2fax s SER 78 Ca 0.11 2.77 0.00 0.00 0.70 0.00 0.00 55.95 59.53 2fax s SER 78 Cb 0.09 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 2fax s SER 78 CO 0.01 -0.85 0.00 0.61 1.20 0.00 0.00 173.24 174.21 2fax n GLY 79 N 2.98 2.30 3.75 9.45 0.00 0.16 -4.94 105.19 118.89 2fax n GLY 79 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 2fax n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fax s LYS 80 N -0.25 4.82 0.17 1.61 1.02 -0.55 -4.65 119.74 121.90 2fax s LYS 80 Ca 0.00 1.54 -0.30 0.00 0.02 0.00 0.00 55.97 57.23 2fax s LYS 80 Cb 0.00 -3.26 -0.07 0.00 -0.52 0.00 0.00 37.83 33.98 2fax s LYS 80 CO 0.00 0.47 1.00 0.15 -0.92 0.00 0.00 175.35 176.05 2fax s LYS 81 N -1.23 4.70 0.02 1.68 1.02 -1.25 -0.63 119.74 124.05 2fax s LYS 81 Ca 0.42 1.55 0.00 0.00 0.02 0.00 0.00 55.97 57.96 2fax s LYS 81 Cb -0.27 -3.32 -0.02 0.00 -0.52 0.00 0.00 37.83 33.70 2fax s LYS 81 CO 0.34 0.25 -0.03 0.14 -0.92 0.00 0.00 175.35 175.12 2fax s VAL 82 N -0.39 0.13 -0.06 3.17 -7.23 -0.19 -1.18 120.40 114.65 2fax s VAL 82 Ca 0.46 -0.83 0.02 0.00 -1.81 0.00 0.00 61.98 59.82 2fax s VAL 82 Cb -0.26 -0.26 0.01 0.00 0.56 0.00 0.00 36.38 36.43 2fax s VAL 82 CO 0.32 -0.44 -0.11 0.00 -0.31 0.00 0.00 175.10 174.55 2fax s ALA 83 N -1.31 1.18 0.04 1.32 0.00 0.55 -1.27 121.76 122.26 2fax s ALA 83 Ca -0.14 -0.38 0.07 0.00 0.00 0.00 0.00 51.96 51.51 2fax s ALA 83 Cb -0.09 -0.54 -0.03 0.00 0.00 0.00 0.00 23.12 22.46 2fax s ALA 83 CO -0.01 0.11 -0.17 -0.51 0.00 0.00 0.00 175.76 175.18 2fax s LEU 84 N 0.65 2.67 0.25 0.00 1.43 -1.26 -1.07 118.68 121.34 2fax s LEU 84 Ca -0.13 -0.40 -0.15 0.00 -1.03 0.00 0.00 54.13 52.41 2fax s LEU 84 Cb -0.15 -1.55 0.00 0.00 0.03 0.00 0.00 46.19 44.52 2fax s LEU 84 CO 0.03 0.26 0.54 0.72 0.23 0.00 0.00 176.35 178.13 2fax s PHE 85 N -0.94 0.19 0.00 0.29 -0.71 -0.66 -1.48 117.98 114.68 2fax s PHE 85 Ca 0.15 -0.57 0.00 0.00 -1.04 0.00 0.00 56.93 55.47 2fax s PHE 85 Cb -0.11 0.33 0.00 0.00 -1.21 0.00 0.00 43.02 42.04 2fax s PHE 85 CO 0.06 -1.05 0.00 0.41 -1.34 0.00 0.00 175.22 173.30 2fax n GLY 86 N -0.40 2.05 3.92 1.99 0.00 -0.57 -1.59 105.19 110.59 2fax n GLY 86 Ca -0.03 -0.80 -0.30 0.00 0.00 0.00 0.00 46.02 44.89 2fax n GLY 86 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2fax s SER 87 N 0.00 6.38 0.22 1.61 0.15 -1.26 -2.29 113.70 118.52 2fax s SER 87 Ca 0.00 0.32 -0.02 0.00 0.70 0.00 0.00 55.95 56.95 2fax s SER 87 Cb 0.00 -1.98 -0.03 0.00 -1.71 0.00 0.00 66.02 62.30 2fax s SER 87 CO 0.00 0.12 0.20 -0.72 1.20 0.00 0.00 173.24 174.04 2fax s TYR 88 N -1.59 1.09 0.00 3.44 1.13 -0.63 -1.65 117.35 119.14 2fax s TYR 88 Ca 0.36 -1.30 0.00 0.00 -1.41 0.00 0.00 57.07 54.72 2fax s TYR 88 Cb -0.12 -0.45 0.00 0.00 -1.10 0.00 0.00 41.96 40.29 2fax s TYR 88 CO 0.28 -0.72 0.00 0.41 -2.51 0.00 0.00 175.55 173.00 2fax n GLY 89 N -0.32 0.57 0.04 5.49 0.00 -1.26 -0.58 105.19 109.13 2fax n GLY 89 Ca 0.02 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.17 2fax n GLY 89 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2fax n TRP 90 N 0.00 0.37 -0.77 1.61 2.14 -1.26 -4.82 117.44 114.70 2fax n TRP 90 Ca 0.00 0.11 0.00 0.00 2.07 0.00 0.00 57.50 59.68 2fax n TRP 90 Cb 0.00 -0.68 0.00 0.00 -0.81 0.00 0.00 31.31 29.82 2fax n TRP 90 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 2fax n GLY 91 N 1.41 -0.28 0.39 -1.67 0.00 -1.26 -5.05 105.19 98.73 2fax n GLY 91 Ca 0.06 -1.74 0.04 0.00 0.00 0.00 0.00 46.02 44.39 2fax n GLY 91 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2fax n ASP 92 N -1.02 1.01 0.00 1.61 5.68 -1.26 -5.00 116.55 117.58 2fax n ASP 92 Ca 0.00 -2.49 0.00 0.00 -0.50 0.00 0.00 54.79 51.80 2fax n ASP 92 Cb 0.00 -0.30 0.00 0.00 -1.14 0.00 0.00 41.12 39.68 2fax n ASP 92 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2fax n GLY 93 N -0.57 1.20 0.23 6.12 0.00 -1.26 -5.02 105.19 105.90 2fax n GLY 93 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.08 2fax n GLY 93 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2fax h LYS 94 N 2.12 0.47 -0.52 1.61 1.63 -1.94 -0.80 116.57 119.15 2fax h LYS 94 Ca 0.00 -0.03 0.03 0.00 -0.85 0.00 0.00 60.65 59.80 2fax h LYS 94 Cb 0.00 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 31.49 2fax h LYS 94 CO 0.00 0.31 0.34 0.11 -3.45 0.00 0.00 179.45 176.77 2fax h TRP 95 N 0.49 0.56 0.03 1.91 0.09 -1.95 -1.12 115.95 115.97 2fax h TRP 95 Ca 0.29 0.01 -0.24 0.00 0.09 0.00 0.00 58.89 59.04 2fax h TRP 95 Cb 0.29 -0.19 0.00 0.00 0.08 0.00 0.00 29.16 29.34 2fax h TRP 95 CO -0.13 0.33 -1.01 1.98 0.09 0.00 0.00 178.44 179.69 2fax h MET 96 N 0.58 0.36 -0.59 0.12 4.05 -1.55 0.64 114.93 118.54 2fax h MET 96 Ca 0.21 -0.43 -0.01 0.00 -0.28 0.00 0.00 59.70 59.19 2fax h MET 96 Cb 0.11 0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 31.01 2fax h MET 96 CO -0.05 1.12 0.34 0.00 0.23 0.00 0.00 176.91 178.55 2fax h ARG 97 N 0.18 0.81 -0.40 0.39 3.08 -0.55 0.78 114.38 118.67 2fax h ARG 97 Ca -0.09 -0.08 -0.15 0.00 0.07 0.00 0.00 59.98 59.72 2fax h ARG 97 Cb 1.67 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 31.55 2fax h ARG 97 CO 0.17 0.60 -0.34 -0.44 -1.07 0.00 0.00 179.97 178.89 2fax h ASP 98 N 0.80 0.97 -0.71 7.04 3.32 -1.12 -1.43 116.42 125.28 2fax h ASP 98 Ca 0.21 -0.42 -0.01 0.00 0.02 0.00 0.00 57.03 56.83 2fax h ASP 98 Cb 0.01 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.26 2fax h ASP 98 CO -0.04 1.21 0.42 0.15 -1.72 0.00 0.00 179.24 179.27 2fax h PHE 99 N 0.76 0.94 -0.21 4.55 3.57 -0.49 0.42 116.94 126.48 2fax h PHE 99 Ca 0.07 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 2fax h PHE 99 Cb 0.93 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 2fax h PHE 99 CO 0.06 0.64 0.01 1.49 -2.23 0.00 0.00 178.31 178.28 2fax h GLU 100 N 0.97 0.37 -0.82 1.11 4.81 -0.72 -1.60 114.58 118.69 2fax h GLU 100 Ca 0.25 -0.11 0.05 0.00 -0.13 0.00 0.00 59.36 59.42 2fax h GLU 100 Cb -0.02 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.26 2fax h GLU 100 CO -0.05 0.55 0.51 1.49 -0.73 0.00 0.00 179.01 180.78 2fax h GLU 101 N 0.14 0.93 0.20 1.92 4.81 -1.00 -1.62 114.58 119.97 2fax h GLU 101 Ca 0.06 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 2fax h GLU 101 Cb 0.37 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.54 2fax h GLU 101 CO 0.01 0.62 -0.11 -0.09 -0.73 0.00 0.00 179.01 178.71 2fax h ARG 102 N 0.96 -0.28 -0.53 1.92 2.43 -0.61 -0.29 114.38 117.99 2fax h ARG 102 Ca 0.35 0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.49 2fax h ARG 102 Cb 0.11 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 2fax h ARG 102 CO -0.15 -0.19 0.13 0.52 -1.51 0.00 0.00 179.97 178.78 2fax h MET 103 N -0.29 0.81 -0.90 0.20 2.86 -1.10 -1.10 114.93 115.41 2fax h MET 103 Ca -0.02 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 57.44 2fax h MET 103 Cb 0.23 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.72 2fax h MET 103 CO 0.04 0.73 0.50 -0.91 1.06 0.00 0.00 176.91 178.32 2fax h ASN 104 N 0.78 1.12 0.56 1.22 2.35 -1.03 -1.45 115.58 119.12 2fax h ASN 104 Ca 0.17 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 2fax h ASN 104 Cb 0.28 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.36 2fax h ASN 104 CO -0.00 0.90 -0.03 1.23 -1.65 0.00 0.00 177.43 177.88 2fax h GLY 105 N 1.26 0.00 0.03 2.83 0.00 0.20 -0.67 103.07 106.72 2fax h GLY 105 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 2fax h GLY 105 CO -0.05 0.00 -0.07 -1.72 0.00 0.00 0.00 176.54 174.70 2fax n TYR 106 N -3.19 0.00 -0.46 5.60 4.01 -0.72 -4.92 117.16 117.49 2fax n TYR 106 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 2fax n TYR 106 Cb 0.22 -0.05 0.00 0.00 -0.31 0.00 0.00 39.34 39.20 2fax n TYR 106 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2fax n GLY 107 N 1.20 0.74 3.85 2.72 0.00 -0.26 -3.72 105.19 109.74 2fax n GLY 107 Ca 0.18 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 2fax n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fax s VAL 109 N -2.50 4.78 -0.53 0.00 1.01 0.19 -4.41 120.40 118.94 2fax s VAL 109 Ca 0.56 -0.87 -0.29 0.00 0.00 0.00 0.00 61.98 61.38 2fax s VAL 109 Cb -0.10 -3.71 0.03 0.00 0.00 0.00 0.00 36.38 32.60 2fax s VAL 109 CO 0.30 -0.31 1.17 -0.69 0.00 0.00 0.00 175.10 175.57 2fax s VAL 110 N 1.58 4.10 -0.13 2.92 1.01 -1.26 -1.02 120.40 127.60 2fax s VAL 110 Ca 0.03 1.05 0.27 0.00 0.00 0.00 0.00 61.98 63.33 2fax s VAL 110 Cb -0.20 -4.67 0.33 0.00 0.00 0.00 0.00 36.38 31.84 2fax s VAL 110 CO 0.07 -1.19 1.78 -0.37 0.00 0.00 0.00 175.10 175.39 2fax h VAL 111 N 6.20 0.11 -4.19 2.92 -1.51 -1.57 -3.47 116.25 114.75 2fax h VAL 111 Ca -0.24 -0.88 -0.14 0.00 -1.23 0.00 0.00 66.70 64.21 2fax h VAL 111 Cb 1.06 1.79 -0.14 0.00 -2.13 0.00 0.00 31.29 31.87 2fax h VAL 111 CO 1.16 0.05 -0.55 -1.61 -1.23 0.00 0.00 177.57 175.40 2fax s GLU 112 N -3.44 0.89 0.22 5.19 0.41 -1.26 -5.08 118.70 115.64 2fax s GLU 112 Ca 0.04 -1.27 -0.31 0.00 -0.41 0.00 0.00 54.97 53.02 2fax s GLU 112 Cb 0.07 0.28 -0.10 0.00 -1.78 0.00 0.00 34.13 32.60 2fax s GLU 112 CO 0.62 -0.26 1.49 0.99 -0.49 0.00 0.00 175.26 177.61 2fax s THR 113 N -3.98 2.61 0.36 3.63 2.01 -1.26 -4.79 115.64 114.22 2fax s THR 113 Ca 0.16 0.48 -0.28 0.00 0.31 0.00 0.00 61.69 62.37 2fax s THR 113 Cb 0.06 -3.31 -0.12 0.00 0.01 0.00 0.00 72.50 69.15 2fax s THR 113 CO -0.03 0.06 1.39 -2.65 -0.69 0.00 0.00 174.62 172.70 2fax n PRO 114 N 2.88 2.40 -3.25 4.92 -0.02 -1.26 -4.88 135.00 135.79 2fax n PRO 114 Ca 0.09 0.84 -0.40 0.00 -2.02 0.00 0.00 63.50 62.01 2fax n PRO 114 Cb 0.39 -2.50 -0.08 0.00 -0.02 0.00 0.00 33.50 31.29 2fax n PRO 114 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2fax s LEU 115 N -1.57 4.11 -0.07 2.45 2.96 -0.55 -4.98 118.68 121.04 2fax s LEU 115 Ca 0.54 0.37 0.04 0.00 -0.22 0.00 0.00 54.13 54.86 2fax s LEU 115 Cb -0.52 -2.62 0.00 0.00 0.50 0.00 0.00 46.19 43.56 2fax s LEU 115 CO 0.63 -0.32 -0.17 0.27 -1.32 0.00 0.00 176.35 175.44 2fax s ILE 116 N 2.31 1.51 -0.03 6.68 -4.36 -1.26 -1.52 121.20 124.53 2fax s ILE 116 Ca 0.20 -0.72 0.04 0.00 -0.26 0.00 0.00 60.65 59.90 2fax s ILE 116 Cb -0.16 -1.32 -0.00 0.00 1.25 0.00 0.00 42.46 42.23 2fax s ILE 116 CO 0.10 0.44 -0.14 -0.69 0.24 0.00 0.00 174.94 174.89 2fax s VAL 117 N 0.35 1.14 -0.14 8.37 1.01 -0.97 -5.01 120.40 125.15 2fax s VAL 117 Ca -0.12 -0.57 -0.29 0.00 0.00 0.00 0.00 61.98 61.00 2fax s VAL 117 Cb -0.15 -0.98 -0.01 0.00 0.00 0.00 0.00 36.38 35.24 2fax s VAL 117 CO 0.05 0.33 0.98 -1.58 0.00 0.00 0.00 175.10 174.88 2fax s GLN 118 N 0.01 4.37 3.84 2.72 0.74 -1.26 -1.60 119.66 128.48 2fax s GLN 118 Ca -0.01 1.32 0.00 0.00 0.05 0.00 0.00 55.36 56.72 2fax s GLN 118 Cb -0.09 -3.56 0.00 0.00 1.10 0.00 0.00 33.01 30.45 2fax s GLN 118 CO 0.01 -0.37 0.00 0.09 -0.55 0.00 0.00 175.29 174.47 2fax n ASN 119 N 5.27 0.00 -4.76 6.67 3.02 0.25 -4.54 115.26 121.18 2fax n ASN 119 Ca 0.09 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.23 2fax n ASN 119 Cb 0.48 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.62 2fax n ASN 119 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2fax s GLU 120 N 0.00 4.48 0.12 3.52 2.12 -1.26 -4.74 118.70 122.94 2fax s GLU 120 Ca 0.00 2.01 -0.24 0.00 0.36 0.00 0.00 54.97 57.09 2fax s GLU 120 Cb 0.00 -3.15 -0.06 0.00 0.26 0.00 0.00 34.13 31.18 2fax s GLU 120 CO 0.00 -0.04 1.42 -1.35 -0.54 0.00 0.00 175.26 174.75 2fax h PRO 121 N 4.01 -0.05 0.00 4.30 0.11 -1.84 -3.44 132.00 135.09 2fax h PRO 121 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2fax h PRO 121 Cb 1.22 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2fax h PRO 121 CO 0.69 -0.03 0.00 -3.47 -0.21 0.00 0.00 178.00 174.97 2fax n ASP 122 N -4.75 0.00 0.27 -2.05 2.03 -1.26 -0.99 116.55 109.81 2fax n ASP 122 Ca 0.01 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.44 2fax n ASP 122 Cb 0.21 0.00 0.78 0.00 -0.72 0.00 0.00 41.12 41.40 2fax n ASP 122 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2fax h GLU 123 N 0.00 0.00 -0.39 -0.67 4.39 -1.99 -1.87 114.58 114.06 2fax h GLU 123 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2fax h GLU 123 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2fax h GLU 123 CO 0.00 0.06 0.00 0.00 -1.16 0.00 0.00 179.01 177.91 2fax n ALA 124 N -2.34 2.57 -0.16 3.43 0.00 -0.16 -4.35 120.51 119.51 2fax n ALA 124 Ca -0.02 -0.51 -0.06 0.00 0.00 0.00 0.00 53.44 52.85 2fax n ALA 124 Cb 0.16 -0.99 0.03 0.00 0.00 0.00 0.00 19.45 18.65 2fax n ALA 124 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2fax h GLU 125 N 1.51 0.54 -0.45 0.00 5.08 -1.50 -2.02 114.58 117.74 2fax h GLU 125 Ca 0.00 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 2fax h GLU 125 Cb 0.50 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 2fax h GLU 125 CO 0.04 0.36 0.08 0.37 -1.00 0.00 0.00 179.01 178.85 2fax h GLN 126 N 0.56 0.69 -0.89 2.33 5.75 -1.84 -1.74 115.11 119.95 2fax h GLN 126 Ca 0.20 -0.14 0.03 0.00 -0.15 0.00 0.00 58.65 58.59 2fax h GLN 126 Cb 0.04 -0.10 -0.05 0.00 1.07 0.00 0.00 27.48 28.43 2fax h GLN 126 CO -0.10 0.65 0.59 -0.44 -2.65 0.00 0.00 178.83 176.88 2fax h ASP 127 N 0.66 0.97 -0.16 -0.69 3.32 -1.67 0.14 116.42 118.99 2fax h ASP 127 Ca 0.15 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 2fax h ASP 127 Cb 0.30 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 2fax h ASP 127 CO 0.00 0.68 0.03 0.00 -1.72 0.00 0.00 179.24 178.23 2fax h ILE 129 N 0.05 0.96 -0.19 0.00 2.04 -0.75 -2.61 117.51 117.02 2fax h ILE 129 Ca 0.05 -0.18 -0.05 0.00 1.00 0.00 0.00 64.86 65.68 2fax h ILE 129 Cb 0.29 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 2fax h ILE 129 CO 0.00 0.10 -0.09 -0.33 0.00 0.00 0.00 178.15 177.83 2fax h GLU 130 N 0.54 0.30 -0.48 2.37 4.39 -0.59 -1.00 114.58 120.10 2fax h GLU 130 Ca 0.23 -0.06 -0.05 0.00 0.34 0.00 0.00 59.36 59.82 2fax h GLU 130 Cb 0.13 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 2fax h GLU 130 CO -0.16 0.40 0.10 0.35 -1.16 0.00 0.00 179.01 178.55 2fax h PHE 131 N 0.29 0.82 -0.76 4.33 3.57 -0.96 -0.27 116.94 123.95 2fax h PHE 131 Ca 0.06 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 2fax h PHE 131 Cb 0.34 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.82 2fax h PHE 131 CO 0.01 0.75 0.46 0.78 -2.23 0.00 0.00 178.31 178.07 2fax h GLY 132 N 0.65 1.11 1.43 2.40 0.00 -1.02 -1.73 103.07 105.91 2fax h GLY 132 Ca 0.15 -0.47 -0.05 0.00 0.00 0.00 0.00 47.33 46.96 2fax h GLY 132 CO 0.00 0.45 0.07 0.50 0.00 0.00 0.00 176.54 177.57 2fax h LYS 133 N 1.04 0.72 -0.37 4.80 1.57 -0.73 -0.75 116.57 122.85 2fax h LYS 133 Ca 0.27 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.87 2fax h LYS 133 Cb -0.03 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 2fax h LYS 133 CO -0.05 0.68 0.13 0.87 -0.57 0.00 0.00 179.45 180.51 2fax h LYS 134 N 0.69 0.56 -0.71 3.15 1.57 -0.44 -1.58 116.57 119.81 2fax h LYS 134 Ca 0.15 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 2fax h LYS 134 Cb 0.32 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 2fax h LYS 134 CO 0.00 0.57 0.32 0.82 -0.57 0.00 0.00 179.45 180.59 2fax h ILE 135 N 0.45 1.24 0.00 1.86 2.04 -0.98 -2.27 117.51 119.85 2fax h ILE 135 Ca 0.12 -0.70 -0.04 0.00 1.00 0.00 0.00 64.86 65.24 2fax h ILE 135 Cb 0.23 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 2fax h ILE 135 CO -0.01 0.29 -0.19 0.00 0.00 0.00 0.00 178.15 178.24 2fax h ALA 136 N 1.15 1.29 0.00 1.87 0.00 -0.90 -2.62 119.26 120.06 2fax h ALA 136 Ca 0.24 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2fax h ALA 136 Cb 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2fax h ALA 136 CO -0.03 0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.46 2fax n ALA 137 N -2.33 2.04 0.97 0.00 0.00 -0.62 -5.08 120.51 115.50 2fax n ALA 137 Ca -0.02 -0.01 0.08 0.00 0.00 0.00 0.00 53.44 53.49 2fax n ALA 137 Cb 0.30 -1.42 0.46 0.00 0.00 0.00 0.00 19.45 18.79 2fax n ALA 137 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61