#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3eey s THR 2 N 0.00 0.97 0.05 1.96 2.01 -1.26 -5.12 115.64 114.25 3eey s THR 2 Ca 0.00 -0.70 -0.30 0.00 0.31 0.00 0.00 61.69 61.00 3eey s THR 2 Cb 0.00 -0.84 -0.07 0.00 0.01 0.00 0.00 72.50 71.59 3eey s THR 2 CO 0.00 0.14 1.60 -0.63 -0.69 0.00 0.00 174.62 175.04 3eey s ILE 3 N -0.53 3.22 0.57 1.82 1.01 -1.26 -5.00 121.20 121.04 3eey s ILE 3 Ca 0.03 0.63 -0.13 0.00 0.00 0.00 0.00 60.65 61.17 3eey s ILE 3 Cb -0.06 -3.40 -0.06 0.00 0.01 0.00 0.00 42.46 38.95 3eey s ILE 3 CO 0.00 -0.01 1.00 -0.54 0.00 0.00 0.00 174.94 175.40 3eey s LYS 4 N 2.71 3.74 1.14 2.79 1.02 -1.26 -5.07 119.74 124.80 3eey s LYS 4 Ca 0.72 0.82 -0.17 0.00 0.02 0.00 0.00 55.97 57.36 3eey s LYS 4 Cb -0.38 -2.11 0.26 0.00 -0.52 0.00 0.00 37.83 35.08 3eey s LYS 4 CO 0.31 -0.43 1.11 0.54 -0.92 0.00 0.00 175.35 175.95 3eey s ASN 5 N -3.71 1.45 0.23 2.83 4.22 -1.26 -4.67 114.94 114.03 3eey s ASN 5 Ca 0.56 0.80 -0.07 0.00 -2.14 0.00 0.00 52.86 52.01 3eey s ASN 5 Cb -0.11 -1.18 0.27 0.00 1.28 0.00 0.00 41.25 41.52 3eey s ASN 5 CO 0.44 -3.81 1.85 0.28 -2.04 0.00 0.00 177.10 173.82 3eey h SER 6 N -2.37 0.81 -0.65 3.54 0.02 -1.95 0.55 113.55 113.50 3eey h SER 6 Ca -0.48 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.47 3eey h SER 6 Cb 1.31 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 63.65 3eey h SER 6 CO 0.42 0.54 0.40 0.25 -1.14 0.00 0.00 176.83 177.30 3eey h LEU 7 N 0.95 0.78 -0.54 5.07 5.85 -1.92 -1.40 115.31 124.09 3eey h LEU 7 Ca 0.33 -0.05 -0.14 0.00 0.84 0.00 0.00 57.88 58.86 3eey h LEU 7 Cb 0.08 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 3eey h LEU 7 CO -0.14 0.60 -0.38 1.23 -0.34 0.00 0.00 178.44 179.40 3eey h GLY 8 N 0.89 0.82 1.90 3.75 0.00 -1.71 -3.17 103.07 105.53 3eey h GLY 8 Ca 0.24 -0.82 -0.11 0.00 0.00 0.00 0.00 47.33 46.64 3eey h GLY 8 CO -0.05 0.74 -0.49 1.46 0.00 0.00 0.00 176.54 178.20 3eey h GLN 9 N 0.62 0.11 -0.83 4.80 4.20 -0.70 -2.85 115.11 120.46 3eey h GLN 9 Ca 0.05 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 3eey h GLN 9 Cb 0.93 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.67 3eey h GLN 9 CO 0.09 0.58 0.47 0.66 -0.67 0.00 0.00 178.83 179.96 3eey h SER 10 N 0.09 1.03 -0.58 1.46 4.64 -1.23 -0.42 113.55 118.54 3eey h SER 10 Ca 0.00 -0.09 -0.09 0.00 -0.47 0.00 0.00 61.79 61.14 3eey h SER 10 Cb 0.91 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.72 3eey h SER 10 CO 0.07 0.82 -0.00 0.45 -0.87 0.00 0.00 176.83 177.30 3eey h HIS 11 N 1.15 1.12 -0.67 4.77 3.86 -1.57 -1.36 115.15 122.46 3eey h HIS 11 Ca 0.29 -0.19 -0.01 0.00 -1.16 0.00 0.00 60.37 59.30 3eey h HIS 11 Cb 0.01 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 28.15 3eey h HIS 11 CO 0.00 1.00 0.38 -0.44 0.86 0.00 0.00 177.93 179.73 3eey h ASP 12 N 0.91 0.83 -0.30 2.45 3.32 -1.24 -0.43 116.42 121.97 3eey h ASP 12 Ca 0.16 -0.09 -0.10 0.00 0.02 0.00 0.00 57.03 57.02 3eey h ASP 12 Cb 0.55 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 3eey h ASP 12 CO 0.03 0.68 -0.17 1.88 -1.72 0.00 0.00 179.24 179.94 3eey h TYR 13 N 0.92 0.84 -0.27 4.55 -1.99 -0.92 -2.65 116.97 117.45 3eey h TYR 13 Ca 0.24 -0.17 -0.07 0.00 2.00 0.00 0.00 58.73 60.73 3eey h TYR 13 Cb 0.02 -0.21 -0.01 0.00 2.00 0.00 0.00 36.73 38.54 3eey h TYR 13 CO -0.01 0.87 -0.09 0.82 -0.00 0.00 0.00 178.16 179.75 3eey h ILE 14 N 0.67 1.29 -0.71 -2.88 1.08 -1.09 -3.05 117.51 112.82 3eey h ILE 14 Ca 0.10 -1.14 0.09 0.00 -0.39 0.00 0.00 64.86 63.53 3eey h ILE 14 Cb 0.66 1.47 -0.05 0.00 -3.07 0.00 0.00 36.82 35.84 3eey h ILE 14 CO 0.05 0.36 0.47 0.11 -0.69 0.00 0.00 178.15 178.44 3eey h LYS 15 N 0.28 0.60 0.00 2.37 1.57 -0.99 0.11 116.57 120.51 3eey h LYS 15 Ca 0.06 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 3eey h LYS 15 Cb 0.58 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 3eey h LYS 15 CO 0.03 0.40 -0.21 0.00 -0.57 0.00 0.00 179.45 179.10 3eey h MET 16 N 0.62 0.00 0.00 3.15 -0.00 -1.44 -3.35 114.93 113.91 3eey h MET 16 Ca 0.32 0.00 -0.37 0.00 -0.00 0.00 0.00 59.70 59.66 3eey h MET 16 Cb 0.44 0.00 -0.07 0.00 -0.00 0.00 0.00 31.60 31.98 3eey h MET 16 CO -0.11 0.21 -2.36 1.19 -0.00 0.00 0.00 176.91 175.84 3eey n PHE 17 N -3.20 0.08 -3.21 -0.10 3.72 -0.78 -4.95 117.46 109.03 3eey n PHE 17 Ca 0.02 0.03 -0.40 0.00 -0.05 0.00 0.00 57.45 57.05 3eey n PHE 17 Cb 0.55 -1.01 -0.07 0.00 -0.94 0.00 0.00 39.48 38.01 3eey n PHE 17 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3eey s VAL 18 N -2.50 5.06 0.52 -4.37 1.01 0.32 -5.01 120.40 115.42 3eey s VAL 18 Ca -0.14 0.94 0.06 0.00 0.00 0.00 0.00 61.98 62.84 3eey s VAL 18 Cb 0.07 -3.85 0.03 0.00 0.00 0.00 0.00 36.38 32.62 3eey s VAL 18 CO 0.79 0.09 0.41 -1.59 0.00 0.00 0.00 175.10 174.79 3eey s LYS 19 N 2.26 2.29 0.21 2.72 -2.85 -1.26 -4.84 119.74 118.27 3eey s LYS 19 Ca 0.22 -1.92 -0.30 0.00 -1.00 0.00 0.00 55.97 52.97 3eey s LYS 19 Cb -0.16 -2.16 -0.08 0.00 -2.06 0.00 0.00 37.83 33.38 3eey s LYS 19 CO 0.09 -0.54 1.08 -1.21 0.10 0.00 0.00 175.35 174.87 3eey s GLU 20 N -4.26 4.63 0.00 1.78 2.02 -1.25 -3.38 118.70 118.24 3eey s GLU 20 Ca 0.38 1.72 0.00 0.00 0.02 0.00 0.00 54.97 57.08 3eey s GLU 20 Cb -0.02 -3.25 0.00 0.00 0.10 0.00 0.00 34.13 30.96 3eey s GLU 20 CO 0.23 0.16 0.00 0.41 0.02 0.00 0.00 175.26 176.08 3eey n GLY 21 N 1.74 0.65 3.81 -1.39 0.00 0.87 -4.96 105.19 105.91 3eey n GLY 21 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 3eey n GLY 21 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3eey s ASP 22 N -2.84 4.72 -0.25 1.61 1.01 -1.22 -4.44 116.67 115.26 3eey s ASP 22 Ca 0.00 1.41 -0.07 0.00 0.71 0.00 0.00 52.55 54.60 3eey s ASP 22 Cb 0.00 -2.18 -0.03 0.00 1.01 0.00 0.00 42.92 41.73 3eey s ASP 22 CO 0.00 -1.84 0.06 -0.89 0.21 0.00 0.00 175.17 172.71 3eey s THR 23 N -3.12 4.20 0.25 -1.27 2.01 -1.26 -1.87 115.64 114.59 3eey s THR 23 Ca 0.60 -0.22 0.07 0.00 0.31 0.00 0.00 61.69 62.46 3eey s THR 23 Cb -0.14 -2.97 -0.05 0.00 0.01 0.00 0.00 72.50 69.35 3eey s THR 23 CO 0.55 0.34 -0.10 0.68 -0.69 0.00 0.00 174.62 175.40 3eey s VAL 24 N 1.60 1.73 -0.08 3.82 -7.23 -0.18 -0.52 120.40 119.55 3eey s VAL 24 Ca 0.06 -2.18 0.02 0.00 -1.81 0.00 0.00 61.98 58.08 3eey s VAL 24 Cb -0.15 -2.28 0.01 0.00 0.56 0.00 0.00 36.38 34.53 3eey s VAL 24 CO 0.03 -0.42 -0.13 -0.69 -0.31 0.00 0.00 175.10 173.58 3eey s VAL 25 N -2.97 1.22 -0.44 1.32 1.01 0.14 -1.40 120.40 119.29 3eey s VAL 25 Ca 0.27 -0.51 -0.15 0.00 0.00 0.00 0.00 61.98 61.58 3eey s VAL 25 Cb 0.01 -1.12 0.04 0.00 0.00 0.00 0.00 36.38 35.32 3eey s VAL 25 CO 0.10 0.38 0.34 -0.62 0.00 0.00 0.00 175.10 175.30 3eey s ASP 26 N 0.78 6.12 0.16 3.32 -1.08 0.25 -0.98 116.67 125.24 3eey s ASP 26 Ca -0.12 -1.10 0.25 0.00 -0.52 0.00 0.00 52.55 51.07 3eey s ASP 26 Cb -0.16 -2.17 0.63 0.00 -1.46 0.00 0.00 42.92 39.76 3eey s ASP 26 CO 0.02 -0.54 1.59 0.00 0.52 0.00 0.00 175.17 176.76 3eey n ALA 27 N 5.18 2.57 -3.49 3.66 0.00 -0.62 -1.61 120.51 126.20 3eey n ALA 27 Ca -0.12 -0.12 -0.28 0.00 0.00 0.00 0.00 53.44 52.92 3eey n ALA 27 Cb 0.45 -1.34 -0.11 0.00 0.00 0.00 0.00 19.45 18.45 3eey n ALA 27 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3eey s THR 28 N -3.12 0.62 0.11 0.00 -4.23 -1.25 -4.53 115.64 103.24 3eey s THR 28 Ca 0.09 -2.54 -0.26 0.00 -1.18 0.00 0.00 61.69 57.80 3eey s THR 28 Cb 0.13 -1.44 -0.10 0.00 1.34 0.00 0.00 72.50 72.43 3eey s THR 28 CO 0.65 -1.12 1.66 0.00 -0.54 0.00 0.00 174.62 175.27 3eey n GLY 30 N -1.32 3.78 0.05 0.00 0.00 -1.26 -1.38 105.19 105.06 3eey n GLY 30 Ca -0.07 0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.09 3eey n GLY 30 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3eey n ASN 31 N 6.05 0.43 0.00 1.61 3.02 -1.26 -4.46 115.26 120.66 3eey n ASN 31 Ca 0.00 0.40 0.00 0.00 -0.03 0.00 0.00 54.58 54.95 3eey n ASN 31 Cb 0.00 -0.45 0.00 0.00 -0.61 0.00 0.00 39.78 38.72 3eey n ASN 31 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3eey n GLY 32 N 1.41 1.03 0.16 7.41 0.00 -0.48 -3.78 105.19 110.93 3eey n GLY 32 Ca 0.06 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.00 3eey n GLY 32 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3eey h ASN 33 N 0.00 0.36 0.55 1.61 2.35 -1.92 -0.64 115.58 117.89 3eey h ASN 33 Ca 0.00 -0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.60 3eey h ASN 33 Cb 0.00 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 3eey h ASN 33 CO 0.00 0.26 -0.66 0.44 -1.65 0.00 0.00 177.43 175.82 3eey h ASP 34 N 0.44 0.11 -0.35 5.81 3.32 -1.94 -1.86 116.42 121.95 3eey h ASP 34 Ca 0.13 -0.07 -0.06 0.00 0.02 0.00 0.00 57.03 57.05 3eey h ASP 34 Cb -0.02 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 3eey h ASP 34 CO -0.05 0.74 -0.02 0.74 -1.72 0.00 0.00 179.24 178.93 3eey h THR 35 N 0.07 1.26 -0.46 0.35 2.02 -1.79 0.47 112.91 114.83 3eey h THR 35 Ca -0.01 -1.02 -0.08 0.00 0.77 0.00 0.00 66.41 66.07 3eey h THR 35 Cb 1.18 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 68.80 3eey h THR 35 CO 0.09 0.34 -0.02 0.00 0.37 0.00 0.00 175.52 176.30 3eey h ALA 36 N 0.85 0.62 -0.18 6.16 0.00 -1.11 -0.87 119.26 124.74 3eey h ALA 36 Ca 0.10 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.75 3eey h ALA 36 Cb 0.49 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3eey h ALA 36 CO 0.02 0.44 -0.02 0.35 0.00 0.00 0.00 179.25 180.04 3eey h PHE 37 N 0.67 -0.04 -0.60 0.00 3.57 -1.25 -1.77 116.94 117.52 3eey h PHE 37 Ca 0.13 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.57 3eey h PHE 37 Cb 0.53 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.29 3eey h PHE 37 CO 0.04 -0.05 0.11 -0.07 -2.23 0.00 0.00 178.31 176.11 3eey h LEU 38 N 0.04 0.92 -0.86 0.59 3.38 -0.81 -2.79 115.31 115.78 3eey h LEU 38 Ca 0.09 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 3eey h LEU 38 Cb 0.12 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3eey h LEU 38 CO -0.16 0.92 0.26 0.00 0.09 0.00 0.00 178.44 179.55 3eey h ALA 39 N 1.19 1.08 -0.08 1.53 0.00 -0.98 -2.67 119.26 119.34 3eey h ALA 39 Ca 0.19 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 3eey h ALA 39 Cb 0.39 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3eey h ALA 39 CO 0.01 0.64 -0.48 0.66 0.00 0.00 0.00 179.25 180.08 3eey h SER 40 N 1.07 0.23 0.60 0.00 4.64 -1.18 -2.99 113.55 115.91 3eey h SER 40 Ca 0.24 -0.11 -0.14 0.00 -0.47 0.00 0.00 61.79 61.32 3eey h SER 40 Cb 0.25 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.26 3eey h SER 40 CO -0.01 0.68 -0.64 -0.07 -0.87 0.00 0.00 176.83 175.91 3eey h LEU 41 N 0.17 0.05 0.00 5.97 3.38 -1.33 -3.34 115.31 120.21 3eey h LEU 41 Ca 0.01 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3eey h LEU 41 Cb 0.91 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.65 3eey h LEU 41 CO 0.07 0.68 -1.14 0.55 0.09 0.00 0.00 178.44 178.69 3eey n VAL 42 N -3.79 0.43 -3.79 1.22 3.14 -1.02 -3.95 118.33 110.57 3eey n VAL 42 Ca -0.01 -0.47 0.00 0.00 -2.96 0.00 0.00 64.34 60.89 3eey n VAL 42 Cb 0.64 -0.18 -0.00 0.00 -1.06 0.00 0.00 33.84 33.23 3eey n VAL 42 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3eey n GLY 43 N 1.23 -2.03 0.21 7.55 0.00 -1.14 -0.09 105.19 110.92 3eey n GLY 43 Ca -0.00 -1.40 -0.08 0.00 0.00 0.00 0.00 46.02 44.54 3eey n GLY 43 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3eey h GLU 44 N 0.00 0.48 -0.28 1.61 5.08 -1.96 -3.13 114.58 116.38 3eey h GLU 44 Ca 0.00 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 3eey h GLU 44 Cb 0.01 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3eey h GLU 44 CO 0.00 0.89 0.00 0.09 -1.00 0.00 0.00 179.01 178.99 3eey n ASN 45 N -3.96 2.22 -4.96 1.42 3.02 -1.26 -4.89 115.26 106.85 3eey n ASN 45 Ca -0.03 -1.84 -0.20 0.00 -0.03 0.00 0.00 54.58 52.48 3eey n ASN 45 Cb 0.59 -0.18 0.06 0.00 -0.61 0.00 0.00 39.78 39.63 3eey n ASN 45 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3eey s GLY 46 N -1.40 1.78 -0.04 7.41 0.00 -1.18 -4.62 107.32 109.27 3eey s GLY 46 Ca 0.33 -1.93 -0.01 0.00 0.00 0.00 0.00 44.72 43.10 3eey s GLY 46 CO 0.26 -1.52 0.06 -1.60 0.00 0.00 0.00 173.10 170.31 3eey s ARG 47 N -4.70 -0.02 -0.18 2.90 6.06 -0.78 -4.77 118.95 117.46 3eey s ARG 47 Ca 0.61 0.29 -0.01 0.00 -2.50 0.00 0.00 55.73 54.12 3eey s ARG 47 Cb -0.07 -0.30 -0.00 0.00 0.06 0.00 0.00 34.95 34.64 3eey s ARG 47 CO 0.39 -0.22 -0.13 0.08 -2.50 0.00 0.00 175.30 172.92 3eey s VAL 48 N 1.43 2.78 -0.19 7.11 1.01 -0.47 -1.01 120.40 131.06 3eey s VAL 48 Ca -0.05 -0.71 -0.14 0.00 0.00 0.00 0.00 61.98 61.07 3eey s VAL 48 Cb -0.12 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 3eey s VAL 48 CO -0.04 0.49 0.32 -0.36 0.00 0.00 0.00 175.10 175.52 3eey s PHE 49 N 1.08 3.40 -0.01 5.22 0.08 -0.49 -0.33 117.98 126.92 3eey s PHE 49 Ca -0.00 0.54 0.06 0.00 0.12 0.00 0.00 56.93 57.65 3eey s PHE 49 Cb -0.15 -2.41 -0.03 0.00 -0.57 0.00 0.00 43.02 39.87 3eey s PHE 49 CO -0.03 0.10 -0.20 0.20 -0.10 0.00 0.00 175.22 175.19 3eey s GLY 50 N 0.82 1.46 -0.02 4.36 0.00 -0.07 -0.59 107.32 113.28 3eey s GLY 50 Ca 0.16 -1.10 0.03 0.00 0.00 0.00 0.00 44.72 43.81 3eey s GLY 50 CO 0.06 -0.93 -0.10 -1.36 0.00 0.00 0.00 173.10 170.77 3eey s PHE 51 N -0.75 1.00 0.07 1.90 0.08 -0.64 -0.70 117.98 118.94 3eey s PHE 51 Ca 0.12 -0.24 -0.21 0.00 0.12 0.00 0.00 56.93 56.71 3eey s PHE 51 Cb -0.10 -0.70 0.05 0.00 -0.57 0.00 0.00 43.02 41.70 3eey s PHE 51 CO 0.01 -0.09 0.51 0.34 -0.10 0.00 0.00 175.22 175.89 3eey s ASP 52 N 0.10 -0.42 0.00 1.36 -1.08 -1.10 -0.84 116.67 114.68 3eey s ASP 52 Ca -0.02 0.08 0.24 0.00 -0.52 0.00 0.00 52.55 52.33 3eey s ASP 52 Cb -0.08 0.50 0.32 0.00 -1.46 0.00 0.00 42.92 42.20 3eey s ASP 52 CO 0.00 -0.77 1.30 2.30 0.52 0.00 0.00 175.17 178.53 3eey n ILE 53 N 0.22 0.00 -4.55 4.11 -5.35 -1.26 -2.51 119.36 110.03 3eey n ILE 53 Ca -0.18 -0.25 -0.34 0.00 -0.27 0.00 0.00 62.75 61.71 3eey n ILE 53 Cb 0.61 0.99 -0.11 0.00 -1.74 0.00 0.00 39.64 39.40 3eey n ILE 53 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3eey s GLN 54 N -2.38 2.79 0.24 6.28 -0.21 -1.26 -4.96 119.66 120.16 3eey s GLN 54 Ca 0.23 -0.52 0.03 0.00 0.02 0.00 0.00 55.36 55.11 3eey s GLN 54 Cb 0.19 -2.64 0.28 0.00 1.00 0.00 0.00 33.01 31.84 3eey s GLN 54 CO 0.50 0.67 1.59 -0.44 -2.12 0.00 0.00 175.29 175.50 3eey h ASP 55 N 5.16 0.38 -0.74 5.90 3.32 -2.00 -2.62 116.42 125.82 3eey h ASP 55 Ca -0.49 -0.19 -0.04 0.00 0.02 0.00 0.00 57.03 56.33 3eey h ASP 55 Cb 1.18 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.59 3eey h ASP 55 CO 0.53 0.82 0.30 0.50 -1.72 0.00 0.00 179.24 179.68 3eey h LYS 56 N 0.27 1.10 -0.16 3.56 3.64 -1.99 -2.28 116.57 120.72 3eey h LYS 56 Ca 0.01 -0.20 -0.18 0.00 -1.27 0.00 0.00 60.65 59.01 3eey h LYS 56 Cb 0.99 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.63 3eey h LYS 56 CO 0.08 0.90 -0.64 0.00 -2.27 0.00 0.00 179.45 177.52 3eey h ALA 57 N 1.15 0.58 -0.49 5.00 0.00 -1.78 -2.27 119.26 121.44 3eey h ALA 57 Ca 0.25 -0.56 -0.12 0.00 0.00 0.00 0.00 54.91 54.48 3eey h ALA 57 Cb 0.20 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3eey h ALA 57 CO -0.02 0.71 -0.17 0.82 0.00 0.00 0.00 179.25 180.59 3eey h ILE 58 N 0.43 1.27 -0.34 0.00 1.08 -1.44 -2.48 117.51 116.04 3eey h ILE 58 Ca -0.01 -1.33 -0.09 0.00 -0.39 0.00 0.00 64.86 63.05 3eey h ILE 58 Cb 1.22 1.09 -0.01 0.00 -3.07 0.00 0.00 36.82 36.05 3eey h ILE 58 CO 0.12 0.46 -0.12 0.00 -0.69 0.00 0.00 178.15 177.92 3eey h ALA 59 N 0.88 0.47 -0.77 1.87 0.00 -1.40 -0.58 119.26 119.74 3eey h ALA 59 Ca 0.12 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 3eey h ALA 59 Cb 0.74 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 3eey h ALA 59 CO 0.06 0.35 0.35 -0.91 0.00 0.00 0.00 179.25 179.10 3eey h ASN 60 N 0.46 1.01 -0.22 0.00 2.35 -1.45 -0.25 115.58 117.48 3eey h ASN 60 Ca 0.08 -0.13 -0.16 0.00 -0.55 0.00 0.00 56.30 55.55 3eey h ASN 60 Cb 0.64 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 3eey h ASN 60 CO 0.04 0.87 -0.44 0.74 -1.65 0.00 0.00 177.43 176.99 3eey h THR 61 N 1.10 1.29 -0.60 2.81 2.02 -1.36 -0.62 112.91 117.55 3eey h THR 61 Ca 0.26 -1.62 -0.04 0.00 0.77 0.00 0.00 66.41 65.79 3eey h THR 61 Cb 0.14 1.51 -0.03 0.00 -1.74 0.00 0.00 68.15 68.03 3eey h THR 61 CO -0.03 0.53 0.23 0.74 0.37 0.00 0.00 175.52 177.36 3eey h THR 62 N 0.63 1.23 -0.13 3.16 2.02 -0.83 -1.83 112.91 117.16 3eey h THR 62 Ca 0.04 -0.73 -0.01 0.00 0.77 0.00 0.00 66.41 66.49 3eey h THR 62 Cb 1.00 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 3eey h THR 62 CO 0.10 0.28 0.05 0.50 0.37 0.00 0.00 175.52 176.82 3eey h LYS 63 N 0.84 0.19 -0.16 6.66 3.64 -0.95 -2.30 116.57 124.49 3eey h LYS 63 Ca 0.20 -0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.59 3eey h LYS 63 Cb 0.21 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 31.94 3eey h LYS 63 CO -0.02 0.31 -0.30 0.87 -2.27 0.00 0.00 179.45 178.04 3eey h LYS 64 N 0.04 -0.34 -0.19 1.90 1.79 -1.02 -2.37 116.57 116.39 3eey h LYS 64 Ca 0.04 0.02 -0.14 0.00 -2.18 0.00 0.00 60.65 58.40 3eey h LYS 64 Cb 0.19 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.90 3eey h LYS 64 CO -0.00 -0.23 -0.47 -0.07 -1.08 0.00 0.00 179.45 177.60 3eey h LEU 65 N -0.36 0.52 -0.52 2.94 3.38 -1.34 -2.84 115.31 117.10 3eey h LEU 65 Ca 0.11 -0.25 -0.13 0.00 0.09 0.00 0.00 57.88 57.70 3eey h LEU 65 Cb 0.52 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3eey h LEU 65 CO -0.36 0.91 -0.17 0.74 0.09 0.00 0.00 178.44 179.65 3eey h THR 66 N 0.38 1.27 -0.04 0.22 2.02 -1.38 0.32 112.91 115.71 3eey h THR 66 Ca 0.02 -1.33 -0.04 0.00 0.77 0.00 0.00 66.41 65.83 3eey h THR 66 Cb 0.97 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 3eey h THR 66 CO 0.09 0.47 -0.14 0.44 0.37 0.00 0.00 175.52 176.74 3eey h ASP 67 N 0.90 0.05 -0.59 4.18 5.19 -1.31 -2.73 116.42 122.11 3eey h ASP 67 Ca 0.13 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 3eey h ASP 67 Cb 0.74 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.24 3eey h ASP 67 CO 0.06 0.20 0.00 0.18 -3.12 0.00 0.00 179.24 176.56 3eey n LEU 68 N -4.34 3.74 -3.35 1.55 4.77 -1.08 -4.97 117.00 113.33 3eey n LEU 68 Ca -0.02 -1.80 -0.22 0.00 -0.03 0.00 0.00 56.01 53.94 3eey n LEU 68 Cb 0.23 -0.39 0.07 0.00 -2.33 0.00 0.00 43.42 41.00 3eey n LEU 68 CO 0.36 0.89 0.23 -3.20 -1.33 0.00 0.00 177.39 174.34 3eey n ASN 69 N 1.56 -5.92 0.00 -1.43 5.15 -0.89 -4.93 115.26 108.80 3eey n ASN 69 Ca 0.22 -0.50 0.00 0.00 -0.60 0.00 0.00 54.58 53.70 3eey n ASN 69 Cb 0.61 -4.68 0.00 0.00 -0.53 0.00 0.00 39.78 35.18 3eey n ASN 69 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3eey n LEU 70 N -4.63 0.43 0.28 1.20 4.77 0.11 -4.74 117.00 114.42 3eey n LEU 70 Ca -0.00 -0.69 0.19 0.00 -0.03 0.00 0.00 56.01 55.48 3eey n LEU 70 Cb 0.56 0.00 0.92 0.00 -2.33 0.00 0.00 43.42 42.57 3eey n LEU 70 CO 0.60 0.11 1.06 -0.29 -1.33 0.00 0.00 177.39 177.54 3eey h ILE 71 N 0.02 0.00 -0.13 -0.08 6.09 -1.84 -3.12 117.51 118.45 3eey h ILE 71 Ca 0.00 -0.19 -0.11 0.00 -1.37 0.00 0.00 64.86 63.19 3eey h ILE 71 Cb 0.01 1.11 -0.01 0.00 0.47 0.00 0.00 36.82 38.40 3eey h ILE 71 CO 0.00 0.00 -0.41 0.44 -3.07 0.00 0.00 178.15 175.11 3eey h ASP 72 N 0.00 0.30 0.03 2.19 3.32 -1.90 -3.01 116.42 117.35 3eey h ASP 72 Ca 0.00 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.92 3eey h ASP 72 Cb 0.20 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3eey h ASP 72 CO 0.00 0.68 -0.11 -2.11 -1.72 0.00 0.00 179.24 175.98 3eey n ARG 73 N -4.02 1.63 -4.28 3.56 1.85 -1.18 -4.91 116.66 109.30 3eey n ARG 73 Ca -0.02 -1.14 -0.34 0.00 -1.00 0.00 0.00 57.85 55.35 3eey n ARG 73 Cb 0.49 -1.48 -0.13 0.00 -1.05 0.00 0.00 32.46 30.29 3eey n ARG 73 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3eey s VAL 74 N -2.16 3.64 -0.44 8.89 1.01 -1.14 -1.37 120.40 128.84 3eey s VAL 74 Ca 0.30 -0.43 -0.14 0.00 0.00 0.00 0.00 61.98 61.71 3eey s VAL 74 Cb 0.20 -2.61 0.06 0.00 0.00 0.00 0.00 36.38 34.03 3eey s VAL 74 CO 0.39 0.47 0.34 -0.89 0.00 0.00 0.00 175.10 175.41 3eey s THR 75 N 0.76 5.10 -0.15 3.92 2.01 0.56 -4.97 115.64 122.86 3eey s THR 75 Ca -0.02 -0.97 -0.19 0.00 0.31 0.00 0.00 61.69 60.81 3eey s THR 75 Cb -0.15 -3.99 -0.04 0.00 0.01 0.00 0.00 72.50 68.34 3eey s THR 75 CO 0.02 -0.48 0.54 -0.76 -0.69 0.00 0.00 174.62 173.25 3eey s LEU 76 N 1.63 4.22 -0.14 4.42 1.43 -1.26 -0.90 118.68 128.08 3eey s LEU 76 Ca 0.04 0.81 0.02 0.00 -1.03 0.00 0.00 54.13 53.97 3eey s LEU 76 Cb -0.22 -2.77 0.01 0.00 0.03 0.00 0.00 46.19 43.24 3eey s LEU 76 CO 0.07 -0.11 -0.19 -0.63 0.23 0.00 0.00 176.35 175.71 3eey s ILE 77 N 1.18 1.88 -1.23 -0.59 1.01 0.12 -4.96 121.20 118.60 3eey s ILE 77 Ca 0.27 -0.86 -0.14 0.00 0.00 0.00 0.00 60.65 59.92 3eey s ILE 77 Cb -0.16 -1.68 0.16 0.00 0.01 0.00 0.00 42.46 40.79 3eey s ILE 77 CO 0.11 0.51 1.52 1.17 0.00 0.00 0.00 174.94 178.25 3eey n LYS 78 N 4.21 3.36 -3.85 2.79 4.81 -1.26 -2.71 118.16 125.50 3eey n LYS 78 Ca -0.20 -3.74 -0.09 0.00 -0.87 0.00 0.00 58.31 53.41 3eey n LYS 78 Cb 0.51 -3.09 -0.04 0.00 0.02 0.00 0.00 35.03 32.43 3eey n LYS 78 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 3eey s ASP 79 N 2.84 -0.18 0.50 3.14 -1.08 -1.04 -4.95 116.67 115.90 3eey s ASP 79 Ca 0.44 -0.67 -0.21 0.00 -0.52 0.00 0.00 52.55 51.59 3eey s ASP 79 Cb -0.01 0.59 -0.07 0.00 -1.46 0.00 0.00 42.92 41.97 3eey s ASP 79 CO 0.01 -1.10 1.10 -0.83 0.52 0.00 0.00 175.17 174.87 3eey s GLY 80 N -2.93 2.62 0.59 2.66 0.00 -1.26 -3.46 107.32 105.54 3eey s GLY 80 Ca 0.14 0.75 0.36 0.00 0.00 0.00 0.00 44.72 45.98 3eey s GLY 80 CO 0.02 1.12 2.18 1.12 0.00 0.00 0.00 173.10 177.54 3eey h HIS 81 N 1.55 0.00 0.00 1.90 2.07 -1.92 -1.81 115.15 116.94 3eey h HIS 81 Ca -0.50 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.02 3eey h HIS 81 Cb 1.24 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.22 3eey h HIS 81 CO 0.54 0.03 0.00 -0.56 -3.07 0.00 0.00 177.93 174.87 3eey h GLN 82 N 0.00 0.00 -0.51 5.12 -0.00 -1.91 -2.57 115.11 115.24 3eey h GLN 82 Ca -0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 58.65 58.54 3eey h GLN 82 Cb 0.24 0.00 -0.06 0.00 -0.00 0.00 0.00 27.48 27.65 3eey h GLN 82 CO 0.00 0.00 0.10 0.09 -0.00 0.00 0.00 178.83 179.02 3eey n ASN 83 N -2.73 4.40 0.28 0.06 3.02 -0.68 -4.61 115.26 115.00 3eey n ASN 83 Ca -0.01 -3.18 0.15 0.00 -0.03 0.00 0.00 54.58 51.51 3eey n ASN 83 Cb 0.14 -0.66 0.79 0.00 -0.61 0.00 0.00 39.78 39.44 3eey n ASN 83 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3eey h MET 84 N 2.40 0.00 0.00 3.52 -0.00 -1.59 -2.60 114.93 116.67 3eey h MET 84 Ca 0.13 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.81 3eey h MET 84 Cb 1.91 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 33.50 3eey h MET 84 CO 0.49 0.08 -0.10 0.38 -0.00 0.00 0.00 176.91 177.76 3eey h ASP 85 N 0.00 0.00 1.08 -0.10 2.03 -1.85 -2.53 116.42 115.05 3eey h ASP 85 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3eey h ASP 85 Cb 0.33 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.83 3eey h ASP 85 CO 0.01 0.10 0.00 0.11 -1.03 0.00 0.00 179.24 178.43 3eey h LYS 86 N 0.00 0.00 0.00 4.15 1.57 -1.85 -3.30 116.57 117.14 3eey h LYS 86 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3eey h LYS 86 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.93 3eey h LYS 86 CO 0.01 0.00 -0.93 0.66 -0.57 0.00 0.00 179.45 178.62 3eey n TYR 87 N -3.07 0.00 -4.90 -1.35 4.01 -1.05 -4.99 117.16 105.81 3eey n TYR 87 Ca 0.01 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.47 3eey n TYR 87 Cb 0.32 -0.09 -0.16 0.00 -0.31 0.00 0.00 39.34 39.10 3eey n TYR 87 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3eey s ILE 88 N -2.11 1.56 0.00 -0.72 1.01 -0.98 -5.00 121.20 114.95 3eey s ILE 88 Ca -0.01 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 59.88 3eey s ILE 88 Cb 0.04 -1.35 0.00 0.00 0.01 0.00 0.00 42.46 41.15 3eey s ILE 88 CO 0.23 0.45 0.00 -0.90 0.00 0.00 0.00 174.94 174.72 3eey n ASP 89 N 3.36 2.18 -4.88 3.58 5.75 -1.26 -4.65 116.55 120.63 3eey n ASP 89 Ca -0.19 -0.13 -0.30 0.00 -0.01 0.00 0.00 54.79 54.16 3eey n ASP 89 Cb 0.53 0.70 -0.02 0.00 -1.03 0.00 0.00 41.12 41.30 3eey n ASP 89 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3eey s PRO 91 N -4.28 4.25 0.07 0.00 0.02 -1.26 -4.96 135.00 128.84 3eey s PRO 91 Ca 0.51 2.34 0.02 0.00 0.02 0.00 0.00 61.00 63.89 3eey s PRO 91 Cb -0.10 -3.09 -0.04 0.00 0.02 0.00 0.00 34.50 31.29 3eey s PRO 91 CO 0.38 -0.43 0.12 0.14 -0.33 0.00 0.00 177.00 176.87 3eey s VAL 92 N -0.12 4.79 -0.06 3.83 -7.23 0.89 -4.70 120.40 117.81 3eey s VAL 92 Ca 0.59 -0.63 -0.15 0.00 -1.81 0.00 0.00 61.98 59.98 3eey s VAL 92 Cb -0.43 -3.31 -0.30 0.00 0.56 0.00 0.00 36.38 32.91 3eey s VAL 92 CO 0.45 0.15 0.70 0.50 -0.31 0.00 0.00 175.10 176.59 3eey h LYS 93 N 3.31 0.34 -3.29 4.82 1.63 -1.12 -0.50 116.57 121.75 3eey h LYS 93 Ca -0.46 -0.58 -0.13 0.00 -0.85 0.00 0.00 60.65 58.62 3eey h LYS 93 Cb 1.16 0.22 -0.20 0.00 -0.60 0.00 0.00 32.23 32.80 3eey h LYS 93 CO 0.68 1.28 -0.39 0.00 -3.45 0.00 0.00 179.45 177.57 3eey s ALA 94 N -2.52 -0.54 -0.05 5.00 0.00 -1.25 -1.46 121.76 120.94 3eey s ALA 94 Ca -0.16 0.09 0.02 0.00 0.00 0.00 0.00 51.96 51.90 3eey s ALA 94 Cb 0.04 0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.26 3eey s ALA 94 CO 0.83 -0.23 -0.08 0.08 0.00 0.00 0.00 175.76 176.36 3eey s VAL 95 N -1.32 0.82 -0.17 0.00 1.01 -0.65 -0.68 120.40 119.41 3eey s VAL 95 Ca -0.14 -0.29 -0.04 0.00 0.00 0.00 0.00 61.98 61.51 3eey s VAL 95 Cb -0.06 -0.79 -0.03 0.00 0.00 0.00 0.00 36.38 35.50 3eey s VAL 95 CO 0.03 0.29 -0.03 -0.04 0.00 0.00 0.00 175.10 175.35 3eey s MET 96 N 0.80 3.65 -0.12 2.72 -1.94 -0.15 -1.49 119.30 122.77 3eey s MET 96 Ca -0.13 -0.52 0.02 0.00 -1.71 0.00 0.00 55.69 53.36 3eey s MET 96 Cb -0.15 -2.97 -0.00 0.00 2.01 0.00 0.00 34.83 33.72 3eey s MET 96 CO 0.02 0.16 -0.20 -0.06 -0.01 0.00 0.00 175.02 174.93 3eey s PHE 97 N 0.58 2.66 -0.30 -0.03 0.08 0.41 -1.60 117.98 119.78 3eey s PHE 97 Ca -0.02 -0.95 0.02 0.00 0.12 0.00 0.00 56.93 56.10 3eey s PHE 97 Cb -0.14 -1.77 0.09 0.00 -0.57 0.00 0.00 43.02 40.63 3eey s PHE 97 CO 0.02 -0.38 0.03 1.21 -0.10 0.00 0.00 175.22 176.01 3eey s ASN 98 N 0.41 4.36 -0.16 1.36 3.84 -1.26 -1.22 114.94 122.27 3eey s ASN 98 Ca -0.15 -1.77 -0.20 0.00 0.21 0.00 0.00 52.86 50.95 3eey s ASN 98 Cb -0.17 -1.33 -0.03 0.00 -0.55 0.00 0.00 41.25 39.17 3eey s ASN 98 CO 0.07 -0.35 0.60 -0.76 -2.79 0.00 0.00 177.10 173.87 3eey s LEU 99 N 1.20 4.20 0.00 3.21 1.43 -0.06 -4.90 118.68 123.76 3eey s LEU 99 Ca 0.06 0.86 0.00 0.00 -1.03 0.00 0.00 54.13 54.02 3eey s LEU 99 Cb -0.19 -2.86 0.00 0.00 0.03 0.00 0.00 46.19 43.17 3eey s LEU 99 CO -0.12 -0.19 0.00 0.61 0.23 0.00 0.00 176.35 176.89 3eey n GLY 100 N 3.60 0.43 3.95 -3.19 0.00 -1.26 -2.88 105.19 105.84 3eey n GLY 100 Ca -0.03 -1.49 -0.23 0.00 0.00 0.00 0.00 46.02 44.28 3eey n GLY 100 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3eey s TYR 101 N -3.49 3.44 -0.17 1.61 1.13 -1.26 -2.95 117.35 115.66 3eey s TYR 101 Ca 0.00 0.21 -0.29 0.00 -1.41 0.00 0.00 57.07 55.58 3eey s TYR 101 Cb 0.00 -1.86 -0.01 0.00 -1.10 0.00 0.00 41.96 39.00 3eey s TYR 101 CO 0.00 0.15 1.11 -1.17 -2.51 0.00 0.00 175.55 173.12 3eey s LEU 102 N -4.25 4.17 0.15 -3.49 2.96 -1.26 -5.02 118.68 111.94 3eey s LEU 102 Ca 0.40 1.54 -0.30 0.00 -0.22 0.00 0.00 54.13 55.54 3eey s LEU 102 Cb -0.09 -3.55 -0.08 0.00 0.50 0.00 0.00 46.19 42.97 3eey s LEU 102 CO 0.34 -0.64 1.29 -2.84 -1.32 0.00 0.00 176.35 173.18 3eey s PRO 103 N 2.90 4.40 -1.08 0.98 0.02 -1.26 -2.82 135.00 138.14 3eey s PRO 103 Ca 0.49 1.98 -0.07 0.00 0.02 0.00 0.00 61.00 63.42 3eey s PRO 103 Cb -0.18 -3.24 -0.05 0.00 0.02 0.00 0.00 34.50 31.04 3eey s PRO 103 CO 0.12 -0.26 0.91 0.43 -0.33 0.00 0.00 177.00 177.87 3eey n SER 104 N 3.12 -5.83 -0.19 2.53 7.64 -1.26 -4.99 113.62 114.64 3eey n SER 104 Ca 0.07 -0.73 0.00 0.00 1.01 0.00 0.00 58.87 59.22 3eey n SER 104 Cb 0.44 -4.99 0.00 0.00 -1.01 0.00 0.00 64.21 58.65 3eey n SER 104 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3eey n GLY 105 N -1.27 2.11 3.62 0.23 0.00 -1.13 -5.12 105.19 103.64 3eey n GLY 105 Ca -0.10 -0.75 -0.43 0.00 0.00 0.00 0.00 46.02 44.74 3eey n GLY 105 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3eey s ASP 106 N 1.42 6.63 0.27 1.61 -1.08 -1.26 -4.92 116.67 119.35 3eey s ASP 106 Ca 0.00 1.05 0.09 0.00 -0.52 0.00 0.00 52.55 53.17 3eey s ASP 106 Cb 0.00 -2.54 0.37 0.00 -1.46 0.00 0.00 42.92 39.29 3eey s ASP 106 CO 0.00 -1.14 1.62 0.45 0.52 0.00 0.00 175.17 176.62 3eey h HIS 107 N 9.43 0.09 -0.02 -5.34 3.86 -1.99 -3.33 115.15 117.85 3eey h HIS 107 Ca -0.26 -0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 58.88 3eey h HIS 107 Cb 1.09 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.55 3eey h HIS 107 CO 0.90 0.64 -0.16 0.66 0.86 0.00 0.00 177.93 180.83 3eey h SER 108 N 0.06 0.17 -2.39 2.45 4.64 -1.98 -3.42 113.55 113.09 3eey h SER 108 Ca -0.00 -0.70 -0.54 0.00 -0.47 0.00 0.00 61.79 60.08 3eey h SER 108 Cb 1.04 -0.05 -0.07 0.00 -0.31 0.00 0.00 62.40 63.01 3eey h SER 108 CO 0.08 0.85 1.10 -0.63 -0.87 0.00 0.00 176.83 177.35 3eey s ILE 109 N -3.43 3.69 0.13 0.95 1.01 -1.25 -4.95 121.20 117.37 3eey s ILE 109 Ca -0.16 0.43 0.02 0.00 0.00 0.00 0.00 60.65 60.94 3eey s ILE 109 Cb 0.01 -4.76 -0.01 0.00 0.01 0.00 0.00 42.46 37.72 3eey s ILE 109 CO 0.72 -1.67 0.08 -1.54 0.00 0.00 0.00 174.94 172.53 3eey n SER 110 N 9.77 0.36 -4.75 3.58 3.41 -1.26 -4.68 113.62 120.05 3eey n SER 110 Ca 0.06 -1.79 -0.41 0.00 -0.26 0.00 0.00 58.87 56.47 3eey n SER 110 Cb 0.49 0.49 -0.03 0.00 -0.26 0.00 0.00 64.21 64.90 3eey n SER 110 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3eey s THR 111 N -2.30 3.38 0.11 6.66 -4.23 -1.15 -5.03 115.64 113.07 3eey s THR 111 Ca 0.11 1.22 0.08 0.00 -1.18 0.00 0.00 61.69 61.92 3eey s THR 111 Cb 0.01 -3.78 -0.04 0.00 1.34 0.00 0.00 72.50 70.02 3eey s THR 111 CO 0.08 0.23 -0.13 -0.13 -0.54 0.00 0.00 174.62 174.13 3eey s ARG 112 N -0.68 2.01 0.17 3.99 0.52 -1.26 -4.82 118.95 118.89 3eey s ARG 112 Ca 0.51 -1.07 -0.15 0.00 -0.52 0.00 0.00 55.73 54.50 3eey s ARG 112 Cb -0.34 -2.24 0.09 0.00 0.52 0.00 0.00 34.95 32.98 3eey s ARG 112 CO 0.40 0.50 1.77 -1.35 0.02 0.00 0.00 175.30 176.64 3eey h PRO 113 N 3.69 0.39 -0.62 3.54 0.11 -1.92 -1.27 132.00 135.92 3eey h PRO 113 Ca -0.49 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.63 3eey h PRO 113 Cb 1.17 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 3eey h PRO 113 CO 0.50 0.26 0.37 0.93 -0.21 0.00 0.00 178.00 179.85 3eey h GLU 114 N 0.40 0.70 0.05 1.05 3.07 -1.98 0.43 114.58 118.31 3eey h GLU 114 Ca 0.19 -0.04 -0.23 0.00 -0.50 0.00 0.00 59.36 58.77 3eey h GLU 114 Cb 0.12 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 27.85 3eey h GLU 114 CO -0.15 0.46 -1.08 1.79 -1.40 0.00 0.00 179.01 178.63 3eey h THR 115 N 0.72 1.62 -0.32 1.13 1.35 -1.96 -2.61 112.91 112.84 3eey h THR 115 Ca 0.25 -3.23 -0.01 0.00 -0.55 0.00 0.00 66.41 62.87 3eey h THR 115 Cb 0.05 2.86 -0.01 0.00 -1.73 0.00 0.00 68.15 69.32 3eey h THR 115 CO -0.12 0.93 0.15 0.74 -0.25 0.00 0.00 175.52 176.97 3eey h THR 116 N 0.04 1.16 -0.76 6.82 2.02 -0.98 0.05 112.91 121.26 3eey h THR 116 Ca -0.06 -0.47 -0.03 0.00 0.77 0.00 0.00 66.41 66.62 3eey h THR 116 Cb 1.83 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 69.08 3eey h THR 116 CO 0.16 0.17 0.36 0.40 0.37 0.00 0.00 175.52 176.97 3eey h ILE 117 N 0.38 1.25 0.22 3.11 2.04 -0.95 0.58 117.51 124.13 3eey h ILE 117 Ca 0.11 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 65.27 3eey h ILE 117 Cb 0.13 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 3eey h ILE 117 CO -0.01 0.29 -0.19 1.56 0.00 0.00 0.00 178.15 179.80 3eey h GLN 118 N 1.07 -0.41 -0.88 2.37 4.20 -1.39 -1.52 115.11 118.56 3eey h GLN 118 Ca 0.26 0.03 0.07 0.00 0.06 0.00 0.00 58.65 59.07 3eey h GLN 118 Cb 0.13 0.09 -0.07 0.00 0.30 0.00 0.00 27.48 27.94 3eey h GLN 118 CO -0.03 -0.27 0.54 0.00 -0.67 0.00 0.00 178.83 178.40 3eey h ALA 119 N 0.32 1.23 -0.70 3.87 0.00 -0.68 -1.44 119.26 121.86 3eey h ALA 119 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3eey h ALA 119 Cb 0.38 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3eey h ALA 119 CO -0.03 0.26 0.33 -0.07 0.00 0.00 0.00 179.25 179.74 3eey h LEU 120 N 0.96 0.91 -0.53 0.00 3.38 -0.76 0.64 115.31 119.92 3eey h LEU 120 Ca 0.39 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 58.24 3eey h LEU 120 Cb 0.23 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3eey h LEU 120 CO -0.19 0.79 0.33 0.28 0.09 0.00 0.00 178.44 179.74 3eey h SER 121 N 0.97 0.56 -0.31 -0.43 0.02 -0.77 -0.32 113.55 113.27 3eey h SER 121 Ca 0.24 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.11 3eey h SER 121 Cb 0.12 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 3eey h SER 121 CO -0.03 0.40 -0.08 0.11 -1.14 0.00 0.00 176.83 176.09 3eey h LYS 122 N 0.67 0.61 -0.77 3.45 1.79 -0.99 -2.04 116.57 119.29 3eey h LYS 122 Ca 0.20 -0.24 0.01 0.00 -2.18 0.00 0.00 60.65 58.44 3eey h LYS 122 Cb -0.03 -0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 30.55 3eey h LYS 122 CO -0.07 0.80 0.51 0.00 -1.08 0.00 0.00 179.45 179.61 3eey h ALA 123 N 0.79 0.97 -0.62 3.86 0.00 -0.81 -0.30 119.26 123.15 3eey h ALA 123 Ca 0.08 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3eey h ALA 123 Cb 0.58 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3eey h ALA 123 CO 0.03 0.39 0.26 0.52 0.00 0.00 0.00 179.25 180.45 3eey h MET 124 N 1.04 0.90 -0.30 0.00 2.86 -0.93 -1.25 114.93 117.25 3eey h MET 124 Ca 0.28 -0.14 -0.07 0.00 -2.06 0.00 0.00 59.70 57.71 3eey h MET 124 Cb -0.12 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.37 3eey h MET 124 CO -0.06 0.73 -0.09 0.93 1.06 0.00 0.00 176.91 179.48 3eey h GLU 125 N 0.89 0.59 0.00 1.72 5.08 -1.05 -3.24 114.58 118.57 3eey h GLU 125 Ca 0.21 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3eey h GLU 125 Cb 0.16 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3eey h GLU 125 CO -0.02 0.79 0.00 -0.07 -1.00 0.00 0.00 179.01 178.71 3eey h LEU 126 N 0.36 0.00 -9.81 1.33 3.38 -0.69 -3.45 115.31 106.42 3eey h LEU 126 Ca 0.07 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.52 3eey h LEU 126 Cb 0.58 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.39 3eey h LEU 126 CO 0.03 0.00 0.71 -0.76 0.09 0.00 0.00 178.44 178.52 3eey s LEU 127 N -5.16 4.40 0.53 1.67 1.43 -0.50 -0.07 118.68 120.97 3eey s LEU 127 Ca 0.05 2.70 -0.18 0.00 -1.03 0.00 0.00 54.13 55.67 3eey s LEU 127 Cb 0.09 -3.64 -0.07 0.00 0.03 0.00 0.00 46.19 42.61 3eey s LEU 127 CO 0.50 -0.65 1.05 0.54 0.23 0.00 0.00 176.35 178.02 3eey s VAL 128 N -0.51 3.78 0.17 -1.59 0.11 -0.20 -4.76 120.40 117.41 3eey s VAL 128 Ca 0.55 1.01 -0.32 0.00 -2.93 0.00 0.00 61.98 60.28 3eey s VAL 128 Cb -0.41 -3.42 -0.12 0.00 -1.53 0.00 0.00 36.38 30.89 3eey s VAL 128 CO 0.48 -0.34 1.73 0.35 -3.33 0.00 0.00 175.10 173.99 3eey n THR 129 N -1.38 0.10 -0.59 5.04 -2.24 -1.26 -0.94 114.28 113.00 3eey n THR 129 Ca 0.09 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 3eey n THR 129 Cb 0.53 -1.94 0.00 0.00 -2.10 0.00 0.00 70.33 66.82 3eey n THR 129 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3eey n GLY 130 N 3.95 0.68 3.95 3.38 0.00 0.76 -5.01 105.19 112.90 3eey n GLY 130 Ca 0.17 -0.18 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 3eey n GLY 130 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3eey s GLY 131 N -2.17 1.61 -0.01 -0.02 0.00 -0.12 -4.91 107.32 101.71 3eey s GLY 131 Ca 0.00 -1.00 0.04 0.00 0.00 0.00 0.00 44.72 43.76 3eey s GLY 131 CO 0.00 -0.79 -0.12 -1.50 0.00 0.00 0.00 173.10 170.69 3eey s ILE 132 N -2.69 0.98 -0.14 0.90 1.10 -0.53 -2.44 121.20 118.37 3eey s ILE 132 Ca 0.51 -0.55 -0.01 0.00 -0.51 0.00 0.00 60.65 60.09 3eey s ILE 132 Cb -0.10 -0.82 -0.02 0.00 0.15 0.00 0.00 42.46 41.67 3eey s ILE 132 CO 0.40 0.26 -0.11 -0.63 -2.11 0.00 0.00 174.94 172.76 3eey s ILE 133 N -0.31 3.22 -0.10 2.00 1.01 0.14 -1.64 121.20 125.52 3eey s ILE 133 Ca 0.05 -0.60 -0.01 0.00 0.00 0.00 0.00 60.65 60.09 3eey s ILE 133 Cb -0.05 -2.37 -0.03 0.00 0.01 0.00 0.00 42.46 40.02 3eey s ILE 133 CO -0.00 0.51 -0.03 0.42 0.00 0.00 0.00 174.94 175.84 3eey s THR 134 N 0.45 4.01 -0.22 2.92 -4.23 -0.56 -0.72 115.64 117.29 3eey s THR 134 Ca -0.08 -0.35 -0.01 0.00 -1.18 0.00 0.00 61.69 60.07 3eey s THR 134 Cb -0.15 -2.69 0.06 0.00 1.34 0.00 0.00 72.50 71.06 3eey s THR 134 CO 0.04 0.57 -0.00 -0.69 -0.54 0.00 0.00 174.62 174.00 3eey s VAL 135 N -0.53 1.06 -0.38 2.29 1.01 -0.24 -0.44 120.40 123.17 3eey s VAL 135 Ca 0.08 -0.97 -0.20 0.00 0.00 0.00 0.00 61.98 60.90 3eey s VAL 135 Cb -0.12 -1.47 0.01 0.00 0.00 0.00 0.00 36.38 34.80 3eey s VAL 135 CO 0.02 -0.20 0.61 -0.69 0.00 0.00 0.00 175.10 174.84 3eey s VAL 136 N 1.60 4.90 -0.35 2.92 1.01 -0.36 -0.80 120.40 129.33 3eey s VAL 136 Ca -0.02 0.39 -0.12 0.00 0.00 0.00 0.00 61.98 62.22 3eey s VAL 136 Cb -0.18 -4.09 -0.01 0.00 0.00 0.00 0.00 36.38 32.10 3eey s VAL 136 CO -0.08 -0.38 0.23 -0.63 0.00 0.00 0.00 175.10 174.24 3eey s ILE 137 N 2.67 5.09 -0.14 2.22 1.01 0.12 -0.88 121.20 131.29 3eey s ILE 137 Ca 0.23 -0.38 -0.14 0.00 0.00 0.00 0.00 60.65 60.36 3eey s ILE 137 Cb -0.15 -3.66 -0.05 0.00 0.01 0.00 0.00 42.46 38.62 3eey s ILE 137 CO 0.16 -0.06 0.32 -0.31 0.00 0.00 0.00 174.94 175.05 3eey s TYR 138 N 1.68 3.50 0.29 3.97 2.02 -1.14 -1.83 117.35 125.84 3eey s TYR 138 Ca 0.05 0.66 0.04 0.00 -0.37 0.00 0.00 57.07 57.45 3eey s TYR 138 Cb -0.18 -2.34 -0.03 0.00 -0.40 0.00 0.00 41.96 39.02 3eey s TYR 138 CO 0.09 0.30 0.26 1.52 -1.57 0.00 0.00 175.55 176.15 3eey s TYR 139 N 0.25 1.49 0.00 2.71 1.13 -1.26 -4.74 117.35 116.93 3eey s TYR 139 Ca 0.18 -1.53 0.00 0.00 -1.41 0.00 0.00 57.07 54.31 3eey s TYR 139 Cb -0.13 -0.59 0.00 0.00 -1.10 0.00 0.00 41.96 40.14 3eey s TYR 139 CO 0.05 -0.84 0.00 0.41 -2.51 0.00 0.00 175.55 172.67 3eey n GLY 140 N -0.51 1.14 4.47 5.49 0.00 0.72 -4.84 105.19 111.67 3eey n GLY 140 Ca 0.05 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.46 3eey n GLY 140 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3eey n GLY 141 N 0.00 1.41 0.13 -0.02 0.00 -1.26 -0.76 105.19 104.68 3eey n GLY 141 Ca 0.00 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.10 3eey n GLY 141 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3eey h ASP 142 N 0.00 0.00 0.16 1.61 3.32 -1.98 -3.39 116.42 116.14 3eey h ASP 142 Ca 0.00 -0.04 -0.13 0.00 0.02 0.00 0.00 57.03 56.87 3eey h ASP 142 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3eey h ASP 142 CO 0.00 0.02 -0.48 0.71 -1.72 0.00 0.00 179.24 177.77 3eey h THR 143 N 0.00 1.33 0.00 0.35 1.35 -1.87 -3.50 112.91 110.57 3eey h THR 143 Ca 0.00 -1.69 0.00 0.00 -0.55 0.00 0.00 66.41 64.17 3eey h THR 143 Cb 0.94 1.74 0.00 0.00 -1.73 0.00 0.00 68.15 69.10 3eey h THR 143 CO 0.00 0.51 0.00 0.61 -0.25 0.00 0.00 175.52 176.39 3eey n GLY 144 N 0.04 0.62 0.00 5.82 0.00 0.06 -4.75 105.19 106.99 3eey n GLY 144 Ca -0.02 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.65 3eey n GLY 144 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3eey n PHE 145 N 4.56 0.00 0.05 1.61 -0.00 -1.26 -0.20 117.46 122.22 3eey n PHE 145 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.45 57.40 3eey n PHE 145 Cb 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 39.48 39.63 3eey n PHE 145 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.76 178.25 3eey h GLU 146 N 0.00 0.38 0.27 -4.13 4.81 -2.00 -2.63 114.58 111.28 3eey h GLU 146 Ca 0.00 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.01 3eey h GLU 146 Cb 0.00 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.39 3eey h GLU 146 CO 0.00 0.77 -0.13 1.49 -0.73 0.00 0.00 179.01 180.41 3eey h GLU 147 N 0.31 -0.35 -0.50 1.92 4.81 -1.91 -2.16 114.58 116.71 3eey h GLU 147 Ca 0.02 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.37 3eey h GLU 147 Cb 0.93 0.08 -0.10 0.00 0.63 0.00 0.00 28.75 30.29 3eey h GLU 147 CO 0.08 -0.03 -0.14 -0.22 -0.73 0.00 0.00 179.01 177.98 3eey h LYS 148 N -0.70 -0.01 -0.74 1.92 3.64 -1.88 0.04 116.57 118.84 3eey h LYS 148 Ca -0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3eey h LYS 148 Cb 0.48 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.27 3eey h LYS 148 CO 0.06 -0.01 0.47 0.93 -2.27 0.00 0.00 179.45 178.63 3eey h GLU 149 N -0.01 0.99 -0.08 1.90 4.39 -1.47 -1.51 114.58 118.79 3eey h GLU 149 Ca 0.24 -0.07 -0.09 0.00 0.34 0.00 0.00 59.36 59.78 3eey h GLU 149 Cb 0.38 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 3eey h GLU 149 CO -0.52 0.68 -0.29 0.87 -1.16 0.00 0.00 179.01 178.59 3eey h LYS 150 N 1.00 0.34 -0.31 2.33 1.57 -0.89 -1.55 116.57 119.06 3eey h LYS 150 Ca 0.27 -0.25 0.03 0.00 -1.87 0.00 0.00 60.65 58.82 3eey h LYS 150 Cb -0.08 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 3eey h LYS 150 CO -0.05 0.88 0.13 0.28 -0.57 0.00 0.00 179.45 180.11 3eey h VAL 151 N -0.14 0.94 -0.57 0.50 2.07 -0.99 0.13 116.25 118.18 3eey h VAL 151 Ca -0.01 -0.09 -0.09 0.00 0.82 0.00 0.00 66.70 67.32 3eey h VAL 151 Cb 0.92 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 3eey h VAL 151 CO 0.06 0.05 -0.00 -0.07 0.02 0.00 0.00 177.57 177.63 3eey h LEU 152 N 0.27 0.96 -0.90 2.57 3.38 -1.32 -0.29 115.31 119.98 3eey h LEU 152 Ca 0.14 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3eey h LEU 152 Cb 0.09 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 3eey h LEU 152 CO -0.13 1.01 0.58 -0.08 0.09 0.00 0.00 178.44 179.92 3eey h GLU 153 N 0.90 1.20 -0.03 1.13 4.81 -0.95 -1.53 114.58 120.11 3eey h GLU 153 Ca 0.16 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3eey h GLU 153 Cb 0.53 -0.26 -0.00 0.00 0.63 0.00 0.00 28.75 29.64 3eey h GLU 153 CO 0.03 0.81 0.00 0.35 -0.73 0.00 0.00 179.01 179.47 3eey h PHE 154 N 1.23 0.05 0.00 0.92 3.57 -0.65 -3.25 116.94 118.81 3eey h PHE 154 Ca 0.33 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.78 3eey h PHE 154 Cb -0.11 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 3eey h PHE 154 CO -0.00 0.31 -0.19 -0.07 -2.23 0.00 0.00 178.31 176.12 3eey h LEU 155 N -0.22 0.00 -2.57 0.59 3.38 -0.92 -2.13 115.31 113.44 3eey h LEU 155 Ca 0.01 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3eey h LEU 155 Cb 0.29 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 3eey h LEU 155 CO 0.00 0.19 0.03 0.11 0.09 0.00 0.00 178.44 178.86 3eey h LYS 156 N 0.00 0.00 -0.00 1.13 1.57 -1.31 -2.87 116.57 115.09 3eey h LYS 156 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3eey h LYS 156 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3eey h LYS 156 CO 0.02 0.00 -0.76 0.41 -0.57 0.00 0.00 179.45 178.56 3eey n GLY 157 N -1.26 -1.10 3.75 3.86 0.00 -0.80 -4.94 105.19 104.69 3eey n GLY 157 Ca -0.02 -0.48 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 3eey n GLY 157 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3eey s VAL 158 N -2.99 2.26 0.02 1.61 1.01 -1.09 -4.90 120.40 116.33 3eey s VAL 158 Ca 0.10 0.22 -0.30 0.00 0.00 0.00 0.00 61.98 61.99 3eey s VAL 158 Cb 0.17 -3.14 -0.09 0.00 0.00 0.00 0.00 36.38 33.32 3eey s VAL 158 CO 0.78 0.03 1.99 -0.62 0.00 0.00 0.00 175.10 177.29 3eey s ASP 159 N 0.52 6.39 0.51 3.32 2.15 -1.26 -4.88 116.67 123.43 3eey s ASP 159 Ca 0.63 2.64 0.32 0.00 0.43 0.00 0.00 52.55 56.57 3eey s ASP 159 Cb -0.46 -2.53 1.27 0.00 -0.30 0.00 0.00 42.92 40.90 3eey s ASP 159 CO 0.45 -1.11 1.94 0.06 -0.17 0.00 0.00 175.17 176.34 3eey h GLN 160 N 10.86 0.00 0.00 4.34 3.07 -1.91 0.10 115.11 131.57 3eey h GLN 160 Ca -0.49 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.19 3eey h GLN 160 Cb 1.24 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.79 3eey h GLN 160 CO 0.94 0.00 -0.29 0.87 0.09 0.00 0.00 178.83 180.44 3eey h LYS 161 N 0.00 0.00 0.00 0.06 1.79 -2.01 -3.35 116.57 113.07 3eey h LYS 161 Ca 0.00 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 58.17 3eey h LYS 161 Cb 0.53 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.12 3eey h LYS 161 CO 0.00 0.29 -2.14 1.63 -1.08 0.00 0.00 179.45 178.15 3eey n LYS 162 N -3.34 0.93 -4.16 3.15 4.76 -0.74 -4.14 118.16 114.61 3eey n LYS 162 Ca 0.01 0.06 -0.16 0.00 -2.87 0.00 0.00 58.31 55.35 3eey n LYS 162 Cb 0.52 -1.41 -0.13 0.00 -1.84 0.00 0.00 35.03 32.17 3eey n LYS 162 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3eey s PHE 163 N -2.40 0.76 -0.21 2.13 0.08 0.28 -0.40 117.98 118.22 3eey s PHE 163 Ca -0.18 -0.34 -0.14 0.00 0.12 0.00 0.00 56.93 56.38 3eey s PHE 163 Cb 0.06 -0.46 -0.04 0.00 -0.57 0.00 0.00 43.02 42.01 3eey s PHE 163 CO 0.56 -0.03 0.33 0.42 -0.10 0.00 0.00 175.22 176.41 3eey s ILE 164 N -0.88 5.24 -0.23 0.64 1.01 0.15 -4.12 121.20 123.02 3eey s ILE 164 Ca -0.03 0.56 0.02 0.00 0.00 0.00 0.00 60.65 61.20 3eey s ILE 164 Cb -0.07 -3.67 0.04 0.00 0.01 0.00 0.00 42.46 38.77 3eey s ILE 164 CO 0.00 0.28 -0.14 -0.69 0.00 0.00 0.00 174.94 174.39 3eey s VAL 165 N 1.23 2.17 -0.14 2.92 1.01 -1.26 -1.06 120.40 125.28 3eey s VAL 165 Ca 0.16 -1.32 0.01 0.00 0.00 0.00 0.00 61.98 60.83 3eey s VAL 165 Cb -0.14 -2.12 -0.00 0.00 0.00 0.00 0.00 36.38 34.11 3eey s VAL 165 CO 0.07 0.21 -0.17 -1.58 0.00 0.00 0.00 175.10 173.63 3eey s GLN 166 N 1.19 3.17 -0.21 2.72 0.74 -0.21 -4.96 119.66 122.10 3eey s GLN 166 Ca -0.03 -0.78 -0.08 0.00 0.05 0.00 0.00 55.36 54.52 3eey s GLN 166 Cb -0.17 -2.55 -0.04 0.00 1.10 0.00 0.00 33.01 31.34 3eey s GLN 166 CO -0.08 0.04 0.09 0.50 -0.55 0.00 0.00 175.29 175.29 3eey s ARG 167 N 0.73 3.94 -0.16 1.67 3.52 -1.26 -0.34 118.95 127.06 3eey s ARG 167 Ca -0.07 -0.35 -0.04 0.00 -0.13 0.00 0.00 55.73 55.13 3eey s ARG 167 Cb -0.16 -3.32 -0.03 0.00 -1.56 0.00 0.00 34.95 29.89 3eey s ARG 167 CO 0.01 0.14 -0.02 0.99 -0.81 0.00 0.00 175.30 175.61 3eey s THR 168 N 0.77 4.08 -0.06 4.11 2.01 0.58 -5.00 115.64 122.13 3eey s THR 168 Ca 0.05 -0.29 -0.04 0.00 0.31 0.00 0.00 61.69 61.72 3eey s THR 168 Cb -0.13 -2.80 0.03 0.00 0.01 0.00 0.00 72.50 69.61 3eey s THR 168 CO 0.02 0.49 0.15 -0.62 -0.69 0.00 0.00 174.62 173.97 3eey s ASP 169 N 0.31 -0.13 -0.56 3.53 2.15 -1.26 -2.19 116.67 118.52 3eey s ASP 169 Ca -0.02 0.30 -0.17 0.00 0.43 0.00 0.00 52.55 53.10 3eey s ASP 169 Cb -0.14 0.24 0.13 0.00 -0.30 0.00 0.00 42.92 42.85 3eey s ASP 169 CO 0.02 -0.11 0.55 -0.36 -0.17 0.00 0.00 175.17 175.10 3eey s PHE 170 N 0.74 3.21 -1.26 -5.34 0.08 -1.26 -4.94 117.98 109.20 3eey s PHE 170 Ca -0.05 -1.24 0.26 0.00 0.12 0.00 0.00 56.93 56.02 3eey s PHE 170 Cb -0.07 -3.84 0.78 0.00 -0.57 0.00 0.00 43.02 39.32 3eey s PHE 170 CO -0.04 -1.07 1.60 0.44 -0.10 0.00 0.00 175.22 176.05 3eey n ILE 171 N 5.28 0.00 0.23 0.64 -5.35 -1.26 -3.29 119.36 115.61 3eey n ILE 171 Ca -0.12 -0.04 0.08 0.00 -0.27 0.00 0.00 62.75 62.40 3eey n ILE 171 Cb 0.41 0.11 0.15 0.00 -1.74 0.00 0.00 39.64 38.57 3eey n ILE 171 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 3eey n ASN 172 N -1.23 2.87 -4.85 7.28 6.94 -1.26 -4.97 115.26 120.03 3eey n ASN 172 Ca 0.09 -1.84 -0.36 0.00 -0.02 0.00 0.00 54.58 52.44 3eey n ASN 172 Cb 0.33 -0.17 -0.06 0.00 -2.36 0.00 0.00 39.78 37.52 3eey n ASN 172 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 3eey s GLN 173 N -1.20 3.83 0.59 -3.83 -0.21 -1.21 -5.11 119.66 112.53 3eey s GLN 173 Ca 0.27 0.29 0.08 0.00 0.02 0.00 0.00 55.36 56.01 3eey s GLN 173 Cb 0.16 -3.10 0.09 0.00 1.00 0.00 0.00 33.01 31.16 3eey s GLN 173 CO 0.22 0.62 0.81 0.00 -2.12 0.00 0.00 175.29 174.83 3eey s ALA 174 N -1.25 4.50 -1.18 6.09 0.00 -1.26 -4.67 121.76 123.99 3eey s ALA 174 Ca 0.28 -2.02 -0.01 0.00 0.00 0.00 0.00 51.96 50.21 3eey s ALA 174 Cb -0.15 -1.58 0.00 0.00 0.00 0.00 0.00 23.12 21.39 3eey s ALA 174 CO 0.16 -0.93 0.99 -1.71 0.00 0.00 0.00 175.76 174.27 3eey n ASN 175 N -2.32 -2.62 -3.52 0.00 5.15 -1.26 -4.23 115.26 106.46 3eey n ASN 175 Ca 0.15 -0.59 -0.17 0.00 -0.60 0.00 0.00 54.58 53.37 3eey n ASN 175 Cb 0.61 -4.96 0.00 0.00 -0.53 0.00 0.00 39.78 34.90 3eey n ASN 175 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3eey s PRO 177 N -4.14 4.27 0.37 0.00 0.04 -1.26 -4.73 135.00 129.55 3eey s PRO 177 Ca 0.03 2.22 -0.26 0.00 0.04 0.00 0.00 61.00 63.03 3eey s PRO 177 Cb -0.00 -3.19 -0.12 0.00 0.04 0.00 0.00 34.50 31.23 3eey s PRO 177 CO 0.85 -0.51 1.12 -2.30 0.04 0.00 0.00 177.00 176.20 3eey n PRO 178 N 3.78 1.65 -3.98 0.56 -0.02 -1.26 -4.85 135.00 130.87 3eey n PRO 178 Ca 0.12 0.58 -0.36 0.00 -2.02 0.00 0.00 63.50 61.83 3eey n PRO 178 Cb 0.40 -2.12 -0.06 0.00 -0.02 0.00 0.00 33.50 31.69 3eey n PRO 178 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3eey s ILE 179 N -1.16 5.23 -0.18 4.25 1.01 -0.76 -4.55 121.20 125.04 3eey s ILE 179 Ca 0.60 0.01 -0.06 0.00 0.00 0.00 0.00 60.65 61.20 3eey s ILE 179 Cb -0.59 -3.31 -0.03 0.00 0.01 0.00 0.00 42.46 38.54 3eey s ILE 179 CO 0.59 0.53 0.01 -0.22 0.00 0.00 0.00 174.94 175.86 3eey s LEU 180 N -1.25 3.46 -0.17 2.97 2.96 -0.93 -0.70 118.68 125.02 3eey s LEU 180 Ca 0.18 -0.07 -0.01 0.00 -0.22 0.00 0.00 54.13 54.00 3eey s LEU 180 Cb -0.12 -1.86 -0.01 0.00 0.50 0.00 0.00 46.19 44.70 3eey s LEU 180 CO 0.08 0.14 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.44 3eey s VAL 181 N 0.58 3.00 -0.23 1.68 1.01 0.02 -0.31 120.40 126.16 3eey s VAL 181 Ca 0.00 -0.65 -0.04 0.00 0.00 0.00 0.00 61.98 61.29 3eey s VAL 181 Cb -0.14 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 33.94 3eey s VAL 181 CO 0.02 0.49 -0.03 0.00 0.00 0.00 0.00 175.10 175.58 3eey s ILE 183 N 1.49 4.17 -0.12 0.00 1.01 0.10 -1.05 121.20 126.81 3eey s ILE 183 Ca 0.05 -0.23 0.03 0.00 0.00 0.00 0.00 60.65 60.51 3eey s ILE 183 Cb -0.15 -2.92 0.01 0.00 0.01 0.00 0.00 42.46 39.41 3eey s ILE 183 CO -0.02 0.38 -0.21 -0.70 0.00 0.00 0.00 174.94 174.39 3eey s GLU 184 N 1.32 2.82 -0.05 2.79 2.12 -0.22 0.26 118.70 127.75 3eey s GLU 184 Ca 0.05 -0.79 -0.30 0.00 0.36 0.00 0.00 54.97 54.29 3eey s GLU 184 Cb -0.15 -2.23 -0.03 0.00 0.26 0.00 0.00 34.13 31.98 3eey s GLU 184 CO 0.02 0.05 1.16 0.21 -0.54 0.00 0.00 175.26 176.17 3eey s LYS 185 N 0.65 4.38 -0.00 4.30 2.20 -1.02 -0.67 119.74 129.57 3eey s LYS 185 Ca -0.12 1.63 0.04 0.00 -0.36 0.00 0.00 55.97 57.17 3eey s LYS 185 Cb -0.16 -3.53 -0.06 0.00 -1.51 0.00 0.00 37.83 32.57 3eey s LYS 185 CO 0.03 -0.39 0.12 0.44 -0.36 0.00 0.00 175.35 175.19 3eey n ILE 186 N 4.50 0.00 -3.83 5.43 -5.35 0.46 -0.17 119.36 120.41 3eey n ILE 186 Ca 0.10 -0.21 -0.09 0.00 -0.27 0.00 0.00 62.75 62.28 3eey n ILE 186 Cb 0.47 0.61 -0.07 0.00 -1.74 0.00 0.00 39.64 38.91 3eey n ILE 186 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 3eey s SER 187 N -2.11 0.05 0.23 7.28 0.01 -1.06 -4.89 113.70 113.21 3eey s SER 187 Ca -0.00 -0.54 -0.04 0.00 1.31 0.00 0.00 55.95 56.67 3eey s SER 187 Cb 0.03 0.35 -0.05 0.00 0.21 0.00 0.00 66.02 66.55 3eey s SER 187 CO 0.18 -0.70 0.48 -1.61 0.41 0.00 0.00 173.24 171.99 3eey s GLU 188 N -3.55 3.62 0.00 12.44 0.41 -1.26 -4.73 118.70 125.64 3eey s GLU 188 Ca 0.02 -0.06 0.00 0.00 -0.41 0.00 0.00 54.97 54.52 3eey s GLU 188 Cb 0.03 -2.73 0.00 0.00 -1.78 0.00 0.00 34.13 29.65 3eey s GLU 188 CO -0.09 0.32 0.00 0.41 -0.49 0.00 0.00 175.26 175.41