#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 0.22 0.01 1.96 2.01 -1.26 -5.12 115.64 113.45 3eey s THR 2 Ca 0.00 -0.28 -0.30 0.00 0.31 0.00 0.00 61.69 61.42 3eey s THR 2 Cb 0.00 -0.22 -0.07 0.00 0.01 0.00 0.00 72.50 72.22 3eey s THR 2 CO 0.00 -0.04 1.68 -0.63 -0.69 0.00 0.00 174.62 174.93 3eey s ILE 3 N -0.33 3.32 0.61 1.82 1.01 -1.26 -5.00 121.20 121.37 3eey s ILE 3 Ca -0.02 0.57 -0.12 0.00 0.00 0.00 0.00 60.65 61.07 3eey s ILE 3 Cb -0.03 -3.36 -0.04 0.00 0.01 0.00 0.00 42.46 39.04 3eey s ILE 3 CO -0.00 -0.03 1.03 -0.54 0.00 0.00 0.00 174.94 175.40 3eey s LYS 4 N 3.48 3.55 1.15 2.79 1.02 -1.26 -5.07 119.74 125.40 3eey s LYS 4 Ca 0.75 0.86 -0.17 0.00 0.02 0.00 0.00 55.97 57.42 3eey s LYS 4 Cb -0.37 -2.07 0.26 0.00 -0.52 0.00 0.00 37.83 35.13 3eey s LYS 4 CO 0.32 -0.61 1.10 0.54 -0.92 0.00 0.00 175.35 175.78 3eey s ASN 5 N -3.78 1.31 0.27 2.83 4.22 -1.26 -4.66 114.94 113.86 3eey s ASN 5 Ca 0.57 0.78 -0.04 0.00 -2.14 0.00 0.00 52.86 52.03 3eey s ASN 5 Cb -0.12 -1.15 0.34 0.00 1.28 0.00 0.00 41.25 41.61 3eey s ASN 5 CO 0.48 -3.90 1.93 0.28 -2.04 0.00 0.00 177.10 173.85 3eey h SER 6 N -2.42 1.08 -0.32 3.54 0.02 -1.95 0.20 113.55 113.70 3eey h SER 6 Ca -0.48 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 3eey h SER 6 Cb 1.31 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.57 3eey h SER 6 CO 0.41 0.76 0.21 0.25 -1.14 0.00 0.00 176.83 177.32 3eey h LEU 7 N 1.27 0.37 -0.61 5.07 5.85 -1.93 -1.44 115.31 123.90 3eey h LEU 7 Ca 0.37 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.99 3eey h LEU 7 Cb -0.07 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 3eey h LEU 7 CO -0.10 0.28 0.09 1.23 -0.34 0.00 0.00 178.44 179.60 3eey h GLY 8 N 0.43 1.10 2.00 3.75 0.00 -1.77 -3.15 103.07 105.43 3eey h GLY 8 Ca 0.12 -0.74 -0.08 0.00 0.00 0.00 0.00 47.33 46.62 3eey h GLY 8 CO -0.02 0.69 -0.40 1.46 0.00 0.00 0.00 176.54 178.26 3eey h GLN 9 N 0.92 0.00 -0.65 4.80 4.20 -0.82 -2.86 115.11 120.70 3eey h GLN 9 Ca 0.18 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.86 3eey h GLN 9 Cb 0.45 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.20 3eey h GLN 9 CO 0.01 0.40 0.29 0.66 -0.67 0.00 0.00 178.83 179.52 3eey h SER 10 N 0.00 0.87 -0.76 1.46 4.64 -1.22 -0.31 113.55 118.23 3eey h SER 10 Ca -0.00 -0.15 -0.03 0.00 -0.47 0.00 0.00 61.79 61.14 3eey h SER 10 Cb 0.72 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 62.55 3eey h SER 10 CO 0.05 0.78 0.36 0.45 -0.87 0.00 0.00 176.83 177.60 3eey h HIS 11 N 0.90 1.10 -0.65 4.77 3.86 -1.57 -1.50 115.15 122.07 3eey h HIS 11 Ca 0.22 -0.06 -0.06 0.00 -1.16 0.00 0.00 60.37 59.31 3eey h HIS 11 Cb 0.16 -0.34 -0.03 0.00 1.06 0.00 0.00 27.41 28.26 3eey h HIS 11 CO 0.01 0.81 0.16 -0.44 0.86 0.00 0.00 177.93 179.33 3eey h ASP 12 N 1.07 0.98 0.13 2.45 3.32 -1.24 0.21 116.42 123.35 3eey h ASP 12 Ca 0.26 -0.23 -0.08 0.00 0.02 0.00 0.00 57.03 56.99 3eey h ASP 12 Cb 0.13 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 3eey h ASP 12 CO -0.03 0.96 -0.29 1.88 -1.72 0.00 0.00 179.24 180.04 3eey h TYR 13 N 0.96 0.28 -0.07 4.55 -1.99 -0.94 -2.68 116.97 117.08 3eey h TYR 13 Ca 0.20 -0.06 -0.10 0.00 2.00 0.00 0.00 58.73 60.78 3eey h TYR 13 Cb 0.36 -0.07 0.00 0.00 2.00 0.00 0.00 36.73 39.03 3eey h TYR 13 CO 0.03 0.53 -0.35 0.82 -0.00 0.00 0.00 178.16 179.18 3eey h ILE 14 N 0.23 1.42 -0.85 -2.88 1.08 -0.87 -3.16 117.51 112.48 3eey h ILE 14 Ca 0.03 -1.75 0.12 0.00 -0.39 0.00 0.00 64.86 62.88 3eey h ILE 14 Cb 0.63 2.31 -0.06 0.00 -3.07 0.00 0.00 36.82 36.63 3eey h ILE 14 CO 0.05 0.51 0.55 0.11 -0.69 0.00 0.00 178.15 178.67 3eey h LYS 15 N -0.12 0.68 -0.39 2.37 1.57 -0.96 0.66 116.57 120.39 3eey h LYS 15 Ca -0.02 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.67 3eey h LYS 15 Cb 1.00 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.14 3eey h LYS 15 CO 0.07 0.45 0.05 0.52 -0.57 0.00 0.00 179.45 179.98 3eey h MET 16 N 0.71 0.60 0.00 3.15 2.86 -1.49 -3.34 114.93 117.42 3eey h MET 16 Ca 0.41 -0.12 -0.33 0.00 -2.06 0.00 0.00 59.70 57.60 3eey h MET 16 Cb 0.60 -0.09 -0.06 0.00 0.06 0.00 0.00 31.60 32.10 3eey h MET 16 CO -0.17 0.58 -2.26 1.19 1.06 0.00 0.00 176.91 177.31 3eey n PHE 17 N -4.29 0.00 -3.02 -0.22 3.72 -0.72 -4.95 117.46 107.98 3eey n PHE 17 Ca 0.02 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.01 3eey n PHE 17 Cb 0.22 -0.90 -0.05 0.00 -0.94 0.00 0.00 39.48 37.81 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 -2.44 4.92 0.51 -4.37 1.01 0.15 -5.02 120.40 115.15 3eey s VAL 18 Ca -0.11 1.31 0.04 0.00 0.00 0.00 0.00 61.98 63.22 3eey s VAL 18 Cb 0.06 -4.01 0.03 0.00 0.00 0.00 0.00 36.38 32.45 3eey s VAL 18 CO 0.72 -0.02 0.71 -0.54 0.00 0.00 0.00 175.10 175.97 3eey s LYS 19 N 2.65 2.61 0.19 2.72 -0.14 -1.26 -4.86 119.74 121.65 3eey s LYS 19 Ca 0.30 -0.99 -0.30 0.00 -1.36 0.00 0.00 55.97 53.62 3eey s LYS 19 Cb -0.15 -2.59 -0.08 0.00 -1.68 0.00 0.00 37.83 33.33 3eey s LYS 19 CO 0.08 -0.58 1.20 -1.21 -0.76 0.00 0.00 175.35 174.08 3eey s GLU 20 N -4.62 4.49 0.00 1.68 2.02 -1.25 -3.49 118.70 117.53 3eey s GLU 20 Ca 0.57 1.88 0.00 0.00 0.02 0.00 0.00 54.97 57.44 3eey s GLU 20 Cb -0.10 -3.24 0.00 0.00 0.10 0.00 0.00 34.13 30.90 3eey s GLU 20 CO 0.37 -0.09 0.00 0.41 0.02 0.00 0.00 175.26 175.97 3eey n GLY 21 N 2.16 0.64 3.78 -1.39 0.00 0.21 -4.96 105.19 105.63 3eey n GLY 21 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.99 3.87 -0.23 1.61 1.01 -1.23 -4.46 116.67 114.26 3eey s ASP 22 Ca 0.00 1.20 -0.05 0.00 0.71 0.00 0.00 52.55 54.41 3eey s ASP 22 Cb 0.00 -1.87 -0.02 0.00 1.01 0.00 0.00 42.92 42.05 3eey s ASP 22 CO 0.00 -2.35 -0.00 -0.89 0.21 0.00 0.00 175.17 172.13 3eey s THR 23 N -3.15 3.71 0.29 -1.27 2.01 -1.26 -1.66 115.64 114.30 3eey s THR 23 Ca 0.62 -0.38 0.06 0.00 0.31 0.00 0.00 61.69 62.30 3eey s THR 23 Cb -0.15 -2.70 -0.06 0.00 0.01 0.00 0.00 72.50 69.59 3eey s THR 23 CO 0.54 0.40 -0.02 0.68 -0.69 0.00 0.00 174.62 175.53 3eey s VAL 24 N 1.48 1.48 -0.05 3.82 -7.23 -0.19 -0.65 120.40 119.07 3eey s VAL 24 Ca 0.06 -2.08 0.02 0.00 -1.81 0.00 0.00 61.98 58.16 3eey s VAL 24 Cb -0.15 -2.52 0.01 0.00 0.56 0.00 0.00 36.38 34.29 3eey s VAL 24 CO -0.01 -0.23 -0.09 -0.69 -0.31 0.00 0.00 175.10 173.77 3eey s VAL 25 N -3.11 0.82 -0.45 1.32 1.01 0.22 -1.47 120.40 118.75 3eey s VAL 25 Ca 0.31 -0.32 -0.14 0.00 0.00 0.00 0.00 61.98 61.83 3eey s VAL 25 Cb 0.05 -0.77 0.06 0.00 0.00 0.00 0.00 36.38 35.73 3eey s VAL 25 CO 0.12 0.28 0.34 -0.62 0.00 0.00 0.00 175.10 175.22 3eey s ASP 26 N 0.60 6.00 0.00 3.32 -1.08 0.26 -1.16 116.67 124.61 3eey s ASP 26 Ca -0.10 -1.28 0.28 0.00 -0.52 0.00 0.00 52.55 50.93 3eey s ASP 26 Cb -0.13 -2.13 1.09 0.00 -1.46 0.00 0.00 42.92 40.29 3eey s ASP 26 CO 0.02 -0.58 1.83 0.00 0.52 0.00 0.00 175.17 176.95 3eey n ALA 27 N 5.12 2.56 -3.41 3.66 0.00 -0.32 -1.84 120.51 126.29 3eey n ALA 27 Ca -0.12 -0.15 -0.25 0.00 0.00 0.00 0.00 53.44 52.93 3eey n ALA 27 Cb 0.44 -1.40 -0.10 0.00 0.00 0.00 0.00 19.45 18.39 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 -3.00 0.01 0.07 0.00 -4.23 -1.24 -4.58 115.64 102.66 3eey s THR 28 Ca 0.13 -1.64 -0.25 0.00 -1.18 0.00 0.00 61.69 58.76 3eey s THR 28 Cb 0.19 -0.99 -0.16 0.00 1.34 0.00 0.00 72.50 72.88 3eey s THR 28 CO 0.56 -0.90 1.64 0.00 -0.54 0.00 0.00 174.62 175.38 3eey n GLY 30 N -0.94 3.78 0.03 0.00 0.00 -1.26 -1.31 105.19 105.49 3eey n GLY 30 Ca -0.08 0.13 0.13 0.00 0.00 0.00 0.00 46.02 46.20 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 6.63 0.42 0.00 1.61 3.02 -1.26 -4.46 115.26 121.22 3eey n ASN 31 Ca 0.00 0.27 0.00 0.00 -0.03 0.00 0.00 54.58 54.82 3eey n ASN 31 Cb 0.00 -0.26 0.00 0.00 -0.61 0.00 0.00 39.78 38.91 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 1.43 0.93 0.07 7.41 0.00 -0.43 -3.83 105.19 110.76 3eey n GLY 32 Ca 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.05 0.33 1.61 2.35 -1.93 0.24 115.58 118.13 3eey h ASN 33 Ca 0.00 0.02 -0.10 0.00 -0.55 0.00 0.00 56.30 55.67 3eey h ASN 33 Cb 0.00 0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 3eey h ASN 33 CO 0.00 -0.01 -0.44 0.44 -1.65 0.00 0.00 177.43 175.76 3eey h ASP 34 N 0.02 0.15 -0.31 5.81 3.32 -1.93 -1.55 116.42 121.92 3eey h ASP 34 Ca 0.04 -0.06 -0.07 0.00 0.02 0.00 0.00 57.03 56.95 3eey h ASP 34 Cb 0.05 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 3eey h ASP 34 CO -0.08 0.58 -0.09 0.74 -1.72 0.00 0.00 179.24 178.67 3eey h THR 35 N 0.12 1.28 -0.43 0.35 2.02 -1.78 0.76 112.91 115.24 3eey h THR 35 Ca 0.01 -1.15 -0.04 0.00 0.77 0.00 0.00 66.41 65.99 3eey h THR 35 Cb 0.83 1.40 -0.02 0.00 -1.74 0.00 0.00 68.15 68.62 3eey h THR 35 CO 0.06 0.37 0.10 0.00 0.37 0.00 0.00 175.52 176.42 3eey h ALA 36 N 0.78 0.56 -0.16 6.16 0.00 -0.88 -0.98 119.26 124.74 3eey h ALA 36 Ca 0.07 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.82 3eey h ALA 36 Cb 0.59 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 3eey h ALA 36 CO 0.03 0.25 -0.11 0.35 0.00 0.00 0.00 179.25 179.78 3eey h PHE 37 N 0.56 -0.27 -0.52 0.00 3.57 -1.19 -1.75 116.94 117.34 3eey h PHE 37 Ca 0.13 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.61 3eey h PHE 37 Cb 0.33 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 3eey h PHE 37 CO 0.02 -0.17 0.15 -0.07 -2.23 0.00 0.00 178.31 176.02 3eey h LEU 38 N -0.11 0.72 -0.51 0.59 3.38 -0.76 -2.71 115.31 115.91 3eey h LEU 38 Ca 0.10 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 3eey h LEU 38 Cb 0.25 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3eey h LEU 38 CO -0.23 0.70 0.16 0.00 0.09 0.00 0.00 178.44 179.16 3eey h ALA 39 N 1.40 0.67 0.00 1.53 0.00 -0.89 -2.74 119.26 119.23 3eey h ALA 39 Ca 0.17 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3eey h ALA 39 Cb 0.24 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3eey h ALA 39 CO -0.01 0.33 -0.39 0.66 0.00 0.00 0.00 179.25 179.84 3eey h SER 40 N 0.70 0.00 0.88 0.00 4.64 -1.12 -2.82 113.55 115.83 3eey h SER 40 Ca 0.16 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.33 3eey h SER 40 Cb 0.28 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 3eey h SER 40 CO -0.00 0.39 -0.72 -0.07 -0.87 0.00 0.00 176.83 175.56 3eey h LEU 41 N 0.00 0.00 0.00 5.97 3.38 -1.36 -3.36 115.31 119.94 3eey h LEU 41 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 3eey h LEU 41 Cb 0.71 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 3eey h LEU 41 CO 0.05 0.72 -1.47 0.55 0.09 0.00 0.00 178.44 178.37 3eey n VAL 42 N -3.54 0.57 -3.92 1.22 3.14 -1.05 -3.83 118.33 110.92 3eey n VAL 42 Ca -0.00 -0.58 0.00 0.00 -2.96 0.00 0.00 64.34 60.80 3eey n VAL 42 Cb 0.74 -0.31 0.00 0.00 -1.06 0.00 0.00 33.84 33.21 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 1.28 -2.03 0.29 7.55 0.00 -1.10 0.67 105.19 111.85 3eey n GLY 43 Ca -0.05 -1.43 -0.08 0.00 0.00 0.00 0.00 46.02 44.46 3eey n GLY 43 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3eey h GLU 44 N 0.00 0.93 -0.43 1.61 4.81 -1.96 -3.16 114.58 116.39 3eey h GLU 44 Ca 0.00 -0.32 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 3eey h GLU 44 Cb 0.00 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.31 3eey h GLU 44 CO 0.00 0.98 0.00 0.09 -0.73 0.00 0.00 179.01 179.35 3eey n ASN 45 N -4.16 2.82 -5.01 1.04 3.02 -1.26 -4.90 115.26 106.81 3eey n ASN 45 Ca 0.02 -1.94 -0.17 0.00 -0.03 0.00 0.00 54.58 52.46 3eey n ASN 45 Cb 0.37 -0.28 0.01 0.00 -0.61 0.00 0.00 39.78 39.27 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 -1.24 1.91 -0.05 7.41 0.00 -1.19 -4.62 107.32 109.54 3eey s GLY 46 Ca 0.36 -1.65 0.01 0.00 0.00 0.00 0.00 44.72 43.44 3eey s GLY 46 CO 0.27 -1.48 -0.05 -1.60 0.00 0.00 0.00 173.10 170.24 3eey s ARG 47 N -4.33 0.91 -0.20 2.90 6.06 -0.66 -4.76 118.95 118.86 3eey s ARG 47 Ca 0.54 -0.12 -0.02 0.00 -2.50 0.00 0.00 55.73 53.62 3eey s ARG 47 Cb -0.10 -0.92 -0.00 0.00 0.06 0.00 0.00 34.95 33.99 3eey s ARG 47 CO 0.33 -0.09 -0.09 0.08 -2.50 0.00 0.00 175.30 173.03 3eey s VAL 48 N 1.00 3.04 -0.16 7.11 1.01 -0.07 -1.02 120.40 131.30 3eey s VAL 48 Ca -0.10 -0.61 -0.16 0.00 0.00 0.00 0.00 61.98 61.12 3eey s VAL 48 Cb -0.14 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 3eey s VAL 48 CO -0.00 0.46 0.38 -0.36 0.00 0.00 0.00 175.10 175.58 3eey s PHE 49 N 1.33 3.44 0.01 5.22 0.08 -0.54 -0.54 117.98 126.98 3eey s PHE 49 Ca 0.04 0.68 0.07 0.00 0.12 0.00 0.00 56.93 57.83 3eey s PHE 49 Cb -0.14 -2.46 -0.03 0.00 -0.57 0.00 0.00 43.02 39.82 3eey s PHE 49 CO -0.05 0.13 -0.19 0.20 -0.10 0.00 0.00 175.22 175.21 3eey s GLY 50 N 0.72 1.50 -0.01 4.36 0.00 -0.14 -0.58 107.32 113.18 3eey s GLY 50 Ca 0.20 -1.14 0.03 0.00 0.00 0.00 0.00 44.72 43.80 3eey s GLY 50 CO 0.07 -1.00 -0.08 -1.36 0.00 0.00 0.00 173.10 170.73 3eey s PHE 51 N -0.83 0.74 0.09 1.90 0.08 -0.76 -0.77 117.98 118.43 3eey s PHE 51 Ca 0.13 -0.14 -0.25 0.00 0.12 0.00 0.00 56.93 56.79 3eey s PHE 51 Cb -0.10 -0.49 0.07 0.00 -0.57 0.00 0.00 43.02 41.93 3eey s PHE 51 CO 0.03 -0.02 0.60 0.34 -0.10 0.00 0.00 175.22 176.07 3eey s ASP 52 N -0.16 -0.56 0.00 1.36 -1.08 -1.10 -0.91 116.67 114.22 3eey s ASP 52 Ca 0.03 0.20 0.23 0.00 -0.52 0.00 0.00 52.55 52.49 3eey s ASP 52 Cb -0.04 0.56 0.09 0.00 -1.46 0.00 0.00 42.92 42.07 3eey s ASP 52 CO -0.00 -0.84 1.15 2.30 0.52 0.00 0.00 175.17 178.30 3eey n ILE 53 N 0.07 0.00 -4.32 4.11 -5.35 -1.26 -2.41 119.36 110.21 3eey n ILE 53 Ca -0.18 -0.27 -0.34 0.00 -0.27 0.00 0.00 62.75 61.69 3eey n ILE 53 Cb 0.62 1.20 -0.09 0.00 -1.74 0.00 0.00 39.64 39.63 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 -2.43 2.97 0.22 6.28 -0.21 -1.26 -4.96 119.66 120.28 3eey s GLN 54 Ca 0.20 -0.44 0.01 0.00 0.02 0.00 0.00 55.36 55.15 3eey s GLN 54 Cb 0.18 -2.79 0.21 0.00 1.00 0.00 0.00 33.01 31.62 3eey s GLN 54 CO 0.54 0.69 1.55 -0.44 -2.12 0.00 0.00 175.29 175.51 3eey h ASP 55 N 4.91 0.43 -0.85 5.90 3.32 -2.00 -2.75 116.42 125.38 3eey h ASP 55 Ca -0.50 -0.23 -0.02 0.00 0.02 0.00 0.00 57.03 56.29 3eey h ASP 55 Cb 1.19 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 40.58 3eey h ASP 55 CO 0.56 0.89 0.43 0.50 -1.72 0.00 0.00 179.24 179.90 3eey h LYS 56 N 0.30 1.20 -0.14 3.56 3.64 -1.99 -2.22 116.57 120.91 3eey h LYS 56 Ca 0.00 -0.16 -0.21 0.00 -1.27 0.00 0.00 60.65 59.01 3eey h LYS 56 Cb 1.06 -0.22 0.01 0.00 -0.41 0.00 0.00 32.23 32.66 3eey h LYS 56 CO 0.09 0.90 -0.75 0.00 -2.27 0.00 0.00 179.45 177.43 3eey h ALA 57 N 1.23 0.40 -0.56 5.00 0.00 -1.79 -2.04 119.26 121.50 3eey h ALA 57 Ca 0.29 -0.59 -0.10 0.00 0.00 0.00 0.00 54.91 54.51 3eey h ALA 57 Cb 0.08 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3eey h ALA 57 CO -0.04 0.70 -0.05 0.82 0.00 0.00 0.00 179.25 180.68 3eey h ILE 58 N 0.48 1.26 -0.39 0.00 1.08 -1.47 -2.07 117.51 116.41 3eey h ILE 58 Ca -0.04 -1.19 -0.08 0.00 -0.39 0.00 0.00 64.86 63.16 3eey h ILE 58 Cb 1.36 0.88 -0.01 0.00 -3.07 0.00 0.00 36.82 35.98 3eey h ILE 58 CO 0.15 0.43 -0.08 0.00 -0.69 0.00 0.00 178.15 177.95 3eey h ALA 59 N 1.02 0.53 -0.35 1.87 0.00 -1.38 -0.72 119.26 120.23 3eey h ALA 59 Ca 0.16 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 3eey h ALA 59 Cb 0.60 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3eey h ALA 59 CO 0.04 0.39 -0.05 -0.91 0.00 0.00 0.00 179.25 178.71 3eey h ASN 60 N 0.55 0.54 -0.24 0.00 2.35 -1.36 -0.92 115.58 116.50 3eey h ASN 60 Ca 0.10 -0.12 -0.19 0.00 -0.55 0.00 0.00 56.30 55.53 3eey h ASN 60 Cb 0.59 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.82 3eey h ASN 60 CO 0.04 0.65 -0.60 0.74 -1.65 0.00 0.00 177.43 176.60 3eey h THR 61 N 0.54 1.28 -0.62 2.81 2.02 -1.26 -1.80 112.91 115.88 3eey h THR 61 Ca 0.11 -1.79 -0.03 0.00 0.77 0.00 0.00 66.41 65.47 3eey h THR 61 Cb 0.42 1.75 -0.03 0.00 -1.74 0.00 0.00 68.15 68.56 3eey h THR 61 CO 0.02 0.58 0.27 0.74 0.37 0.00 0.00 175.52 177.50 3eey h THR 62 N 0.60 1.23 -0.15 3.16 2.02 -0.93 -1.62 112.91 117.21 3eey h THR 62 Ca -0.01 -0.67 -0.01 0.00 0.77 0.00 0.00 66.41 66.49 3eey h THR 62 Cb 1.22 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 3eey h THR 62 CO 0.13 0.27 0.06 0.50 0.37 0.00 0.00 175.52 176.85 3eey h LYS 63 N 0.85 0.23 -0.03 6.66 3.64 -1.17 -2.24 116.57 124.51 3eey h LYS 63 Ca 0.21 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.58 3eey h LYS 63 Cb 0.17 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 31.90 3eey h LYS 63 CO -0.02 0.32 -0.36 0.87 -2.27 0.00 0.00 179.45 178.00 3eey h LYS 64 N 0.09 -0.47 -0.16 1.90 1.79 -1.19 -2.13 116.57 116.39 3eey h LYS 64 Ca 0.05 0.03 -0.10 0.00 -2.18 0.00 0.00 60.65 58.45 3eey h LYS 64 Cb 0.18 0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.93 3eey h LYS 64 CO -0.00 -0.32 -0.35 -0.07 -1.08 0.00 0.00 179.45 177.63 3eey h LEU 65 N -0.49 0.35 -0.32 2.94 3.38 -1.31 -2.61 115.31 117.24 3eey h LEU 65 Ca 0.06 -0.13 -0.16 0.00 0.09 0.00 0.00 57.88 57.74 3eey h LEU 65 Cb 0.59 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 3eey h LEU 65 CO -0.31 0.68 -0.42 0.74 0.09 0.00 0.00 178.44 179.23 3eey h THR 66 N 0.29 1.28 0.00 0.22 2.02 -1.37 0.51 112.91 115.86 3eey h THR 66 Ca 0.03 -1.60 -0.01 0.00 0.77 0.00 0.00 66.41 65.61 3eey h THR 66 Cb 0.76 1.54 -0.00 0.00 -1.74 0.00 0.00 68.15 68.71 3eey h THR 66 CO 0.06 0.52 -0.06 0.44 0.37 0.00 0.00 175.52 176.85 3eey h ASP 67 N 0.63 0.00 -0.60 4.18 3.32 -1.19 -2.51 116.42 120.25 3eey h ASP 67 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3eey h ASP 67 Cb 1.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.56 3eey h ASP 67 CO 0.10 0.06 0.00 0.18 -1.72 0.00 0.00 179.24 177.86 3eey n LEU 68 N -4.36 3.89 -3.85 1.55 4.77 -1.00 -4.98 117.00 113.02 3eey n LEU 68 Ca -0.03 -2.15 -0.25 0.00 -0.03 0.00 0.00 56.01 53.55 3eey n LEU 68 Cb 0.14 -0.45 0.01 0.00 -2.33 0.00 0.00 43.42 40.79 3eey n LEU 68 CO 0.34 0.87 -0.08 -3.20 -1.33 0.00 0.00 177.39 173.98 3eey n ASN 69 N 1.14 -1.72 0.00 -1.43 5.15 -0.90 -4.91 115.26 112.59 3eey n ASN 69 Ca 0.21 -0.88 0.00 0.00 -0.60 0.00 0.00 54.58 53.31 3eey n ASN 69 Cb 0.65 -3.64 0.00 0.00 -0.53 0.00 0.00 39.78 36.26 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 -4.40 0.76 0.22 1.20 4.77 0.17 -4.75 117.00 114.98 3eey n LEU 70 Ca -0.22 -0.76 0.15 0.00 -0.03 0.00 0.00 56.01 55.15 3eey n LEU 70 Cb 0.64 0.00 0.66 0.00 -2.33 0.00 0.00 43.42 42.39 3eey n LEU 70 CO 0.73 0.19 0.95 -0.29 -1.33 0.00 0.00 177.39 177.64 3eey h ILE 71 N 0.28 0.00 -0.68 -0.08 6.09 -1.81 -3.22 117.51 118.08 3eey h ILE 71 Ca 0.00 -0.29 -0.05 0.00 -1.37 0.00 0.00 64.86 63.15 3eey h ILE 71 Cb 0.15 1.13 -0.03 0.00 0.47 0.00 0.00 36.82 38.54 3eey h ILE 71 CO 0.00 0.00 0.21 0.44 -3.07 0.00 0.00 178.15 175.73 3eey h ASP 72 N 0.00 0.98 -0.34 2.19 3.32 -1.90 -3.13 116.42 117.54 3eey h ASP 72 Ca 0.00 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.87 3eey h ASP 72 Cb 0.34 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.63 3eey h ASP 72 CO 0.00 0.92 0.00 -2.11 -1.72 0.00 0.00 179.24 176.33 3eey n ARG 73 N -4.26 3.34 -4.86 3.56 0.00 -1.22 -4.91 116.66 108.31 3eey n ARG 73 Ca 0.06 -2.86 -0.32 0.00 -0.00 0.00 0.00 57.85 54.72 3eey n ARG 73 Cb 0.22 -1.89 -0.16 0.00 -0.00 0.00 0.00 32.46 30.63 3eey n ARG 73 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 3eey s VAL 74 N -2.66 2.26 -0.45 8.89 1.01 -1.19 -0.89 120.40 127.37 3eey s VAL 74 Ca 0.44 -0.93 -0.14 0.00 0.00 0.00 0.00 61.98 61.35 3eey s VAL 74 Cb 0.34 -1.90 0.07 0.00 0.00 0.00 0.00 36.38 34.89 3eey s VAL 74 CO 0.11 0.55 0.35 -0.89 0.00 0.00 0.00 175.10 175.22 3eey s THR 75 N 0.59 4.96 -0.17 3.92 2.01 0.30 -4.97 115.64 122.28 3eey s THR 75 Ca -0.12 -1.14 -0.21 0.00 0.31 0.00 0.00 61.69 60.53 3eey s THR 75 Cb -0.16 -3.97 -0.03 0.00 0.01 0.00 0.00 72.50 68.35 3eey s THR 75 CO 0.03 -0.55 0.64 -0.76 -0.69 0.00 0.00 174.62 173.30 3eey s LEU 76 N 1.58 4.19 -0.16 4.42 1.43 -1.26 -0.96 118.68 127.92 3eey s LEU 76 Ca 0.04 0.91 0.02 0.00 -1.03 0.00 0.00 54.13 54.07 3eey s LEU 76 Cb -0.24 -2.93 0.01 0.00 0.03 0.00 0.00 46.19 43.07 3eey s LEU 76 CO 0.06 -0.23 -0.21 -0.63 0.23 0.00 0.00 176.35 175.56 3eey s ILE 77 N 1.63 2.04 -1.25 -0.59 1.01 0.05 -4.97 121.20 119.12 3eey s ILE 77 Ca 0.31 -0.95 -0.13 0.00 0.00 0.00 0.00 60.65 59.87 3eey s ILE 77 Cb -0.16 -1.82 0.15 0.00 0.01 0.00 0.00 42.46 40.64 3eey s ILE 77 CO 0.12 0.54 1.63 1.17 0.00 0.00 0.00 174.94 178.39 3eey n LYS 78 N 4.30 3.39 -3.85 2.79 4.81 -1.26 -2.72 118.16 125.62 3eey n LYS 78 Ca -0.20 -3.63 -0.09 0.00 -0.87 0.00 0.00 58.31 53.51 3eey n LYS 78 Cb 0.51 -3.08 -0.05 0.00 0.02 0.00 0.00 35.03 32.42 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 2.53 -0.11 0.49 3.14 -1.08 -1.01 -4.94 116.67 115.69 3eey s ASP 79 Ca 0.44 -0.68 -0.22 0.00 -0.52 0.00 0.00 52.55 51.57 3eey s ASP 79 Cb 0.02 0.51 -0.07 0.00 -1.46 0.00 0.00 42.92 41.92 3eey s ASP 79 CO 0.01 -0.98 1.17 -0.83 0.52 0.00 0.00 175.17 175.06 3eey s GLY 80 N -2.92 2.75 0.59 2.66 0.00 -1.26 -3.47 107.32 105.66 3eey s GLY 80 Ca 0.13 0.93 0.38 0.00 0.00 0.00 0.00 44.72 46.16 3eey s GLY 80 CO -0.01 1.37 2.13 1.12 0.00 0.00 0.00 173.10 177.71 3eey h HIS 81 N 1.75 0.00 0.00 1.90 2.07 -1.92 -1.78 115.15 117.17 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 1.26 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.24 3eey h HIS 81 CO 0.52 0.00 0.00 -0.56 -3.07 0.00 0.00 177.93 174.82 3eey h GLN 82 N 0.00 0.00 -0.47 5.12 -0.00 -1.91 -2.47 115.11 115.38 3eey h GLN 82 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.62 3eey h GLN 82 Cb 0.29 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.76 3eey h GLN 82 CO 0.00 0.00 0.03 0.09 -0.00 0.00 0.00 178.83 178.95 3eey n ASN 83 N -3.05 4.89 0.29 0.06 3.02 -0.67 -4.58 115.26 115.22 3eey n ASN 83 Ca -0.02 -3.02 0.15 0.00 -0.03 0.00 0.00 54.58 51.66 3eey n ASN 83 Cb 0.13 -0.64 0.87 0.00 -0.61 0.00 0.00 39.78 39.53 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 2.97 0.00 0.00 3.52 -0.00 -1.57 -2.42 114.93 117.43 3eey h MET 84 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.73 3eey h MET 84 Cb 1.82 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.42 3eey h MET 84 CO 0.42 0.05 0.00 0.38 -0.00 0.00 0.00 176.91 177.76 3eey h ASP 85 N 0.00 0.00 1.17 -0.10 2.03 -1.83 -2.60 116.42 115.08 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 0.18 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.68 3eey h ASP 85 CO 0.01 0.00 0.00 0.11 -1.03 0.00 0.00 179.24 178.33 3eey h LYS 86 N 0.00 0.00 0.00 4.15 1.57 -1.81 -3.33 116.57 117.15 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 0.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.90 3eey h LYS 86 CO 0.00 0.00 -0.69 0.66 -0.57 0.00 0.00 179.45 178.85 3eey n TYR 87 N -2.63 0.00 -4.76 -1.35 4.01 -1.02 -5.00 117.16 106.41 3eey n TYR 87 Ca 0.03 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.52 3eey n TYR 87 Cb 0.34 -0.04 -0.16 0.00 -0.31 0.00 0.00 39.34 39.17 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 -1.79 1.31 0.00 -0.72 1.01 -1.01 -5.00 121.20 115.01 3eey s ILE 88 Ca -0.00 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 60.00 3eey s ILE 88 Cb 0.02 -1.14 0.00 0.00 0.01 0.00 0.00 42.46 41.35 3eey s ILE 88 CO 0.12 0.38 0.00 -0.90 0.00 0.00 0.00 174.94 174.54 3eey n ASP 89 N 3.17 2.17 -4.85 3.58 5.75 -1.26 -4.65 116.55 120.46 3eey n ASP 89 Ca -0.18 -0.04 -0.32 0.00 -0.01 0.00 0.00 54.79 54.24 3eey n ASP 89 Cb 0.53 0.52 -0.04 0.00 -1.03 0.00 0.00 41.12 41.10 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 -3.79 4.22 0.08 0.00 0.02 -1.26 -4.96 135.00 129.31 3eey s PRO 91 Ca 0.56 2.38 0.02 0.00 0.02 0.00 0.00 61.00 63.98 3eey s PRO 91 Cb -0.10 -3.08 -0.04 0.00 0.02 0.00 0.00 34.50 31.30 3eey s PRO 91 CO 0.28 -0.47 0.17 0.14 -0.33 0.00 0.00 177.00 176.79 3eey s VAL 92 N -0.11 5.03 -0.07 3.83 -7.23 0.40 -4.69 120.40 117.56 3eey s VAL 92 Ca 0.60 -0.59 -0.08 0.00 -1.81 0.00 0.00 61.98 60.10 3eey s VAL 92 Cb -0.44 -3.46 -0.29 0.00 0.56 0.00 0.00 36.38 32.76 3eey s VAL 92 CO 0.46 0.10 0.59 0.50 -0.31 0.00 0.00 175.10 176.43 3eey h LYS 93 N 3.03 0.32 -3.04 4.82 1.63 -1.20 0.85 116.57 122.98 3eey h LYS 93 Ca -0.46 -0.55 -0.13 0.00 -0.85 0.00 0.00 60.65 58.66 3eey h LYS 93 Cb 1.17 0.20 -0.23 0.00 -0.60 0.00 0.00 32.23 32.77 3eey h LYS 93 CO 0.71 1.23 -0.33 0.00 -3.45 0.00 0.00 179.45 177.61 3eey s ALA 94 N -2.58 -0.74 -0.05 5.00 0.00 -1.25 -1.06 121.76 121.08 3eey s ALA 94 Ca -0.17 0.58 0.02 0.00 0.00 0.00 0.00 51.96 52.39 3eey s ALA 94 Cb 0.06 -0.23 0.01 0.00 0.00 0.00 0.00 23.12 22.96 3eey s ALA 94 CO 0.82 -0.20 -0.10 0.08 0.00 0.00 0.00 175.76 176.36 3eey s VAL 95 N -0.56 0.94 -0.16 0.00 1.01 -0.64 -0.61 120.40 120.38 3eey s VAL 95 Ca -0.07 -0.40 -0.03 0.00 0.00 0.00 0.00 61.98 61.49 3eey s VAL 95 Cb -0.04 -0.86 -0.02 0.00 0.00 0.00 0.00 36.38 35.47 3eey s VAL 95 CO 0.02 0.30 -0.07 -0.04 0.00 0.00 0.00 175.10 175.31 3eey s MET 96 N 0.48 3.51 -0.06 2.72 -1.94 -0.31 -1.54 119.30 122.15 3eey s MET 96 Ca -0.09 -0.60 0.04 0.00 -1.71 0.00 0.00 55.69 53.33 3eey s MET 96 Cb -0.13 -2.84 -0.02 0.00 2.01 0.00 0.00 34.83 33.85 3eey s MET 96 CO 0.02 0.13 -0.17 -0.06 -0.01 0.00 0.00 175.02 174.92 3eey s PHE 97 N 0.63 2.63 -0.34 -0.03 0.08 0.68 -1.17 117.98 120.46 3eey s PHE 97 Ca -0.04 -0.40 -0.01 0.00 0.12 0.00 0.00 56.93 56.60 3eey s PHE 97 Cb -0.15 -1.65 0.11 0.00 -0.57 0.00 0.00 43.02 40.76 3eey s PHE 97 CO 0.03 0.00 0.15 1.21 -0.10 0.00 0.00 175.22 176.51 3eey s ASN 98 N -0.39 3.65 -0.10 1.36 3.84 -1.26 -1.47 114.94 120.57 3eey s ASN 98 Ca 0.04 -1.86 -0.25 0.00 0.21 0.00 0.00 52.86 51.00 3eey s ASN 98 Cb -0.12 -0.70 -0.03 0.00 -0.55 0.00 0.00 41.25 39.85 3eey s ASN 98 CO 0.02 -0.37 0.79 -0.76 -2.79 0.00 0.00 177.10 173.98 3eey s LEU 99 N 1.37 4.26 0.00 3.21 1.43 -0.32 -4.90 118.68 123.73 3eey s LEU 99 Ca 0.13 1.23 0.00 0.00 -1.03 0.00 0.00 54.13 54.46 3eey s LEU 99 Cb -0.20 -3.20 0.00 0.00 0.03 0.00 0.00 46.19 42.83 3eey s LEU 99 CO -0.18 -0.25 0.00 0.61 0.23 0.00 0.00 176.35 176.76 3eey n GLY 100 N 3.24 0.30 3.76 -3.19 0.00 -1.26 -2.90 105.19 105.15 3eey n GLY 100 Ca 0.02 -1.27 -0.22 0.00 0.00 0.00 0.00 46.02 44.54 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 -4.00 2.78 0.19 1.61 1.13 -1.26 -2.37 117.35 115.42 3eey s TYR 101 Ca 0.00 -0.33 -0.31 0.00 -1.41 0.00 0.00 57.07 55.02 3eey s TYR 101 Cb 0.00 -1.64 -0.09 0.00 -1.10 0.00 0.00 41.96 39.13 3eey s TYR 101 CO 0.00 0.33 1.46 -1.17 -2.51 0.00 0.00 175.55 173.65 3eey s LEU 102 N -3.87 4.38 -0.39 -3.49 2.96 -1.25 -4.92 118.68 112.09 3eey s LEU 102 Ca 0.38 2.55 -0.29 0.00 -0.22 0.00 0.00 54.13 56.55 3eey s LEU 102 Cb -0.04 -3.60 -0.08 0.00 0.50 0.00 0.00 46.19 42.97 3eey s LEU 102 CO 0.24 -0.71 2.33 -2.65 -1.32 0.00 0.00 176.35 174.23 3eey n PRO 103 N 3.28 1.34 -3.71 0.98 -0.02 -1.26 -2.56 135.00 133.04 3eey n PRO 103 Ca 0.10 0.25 -0.28 0.00 -2.02 0.00 0.00 63.50 61.55 3eey n PRO 103 Cb 0.40 -3.10 0.02 0.00 -0.02 0.00 0.00 33.50 30.81 3eey n PRO 103 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3eey n SER 104 N 13.05 -4.79 0.00 2.55 7.64 -1.26 -4.94 113.62 125.87 3eey n SER 104 Ca 0.37 -0.65 0.00 0.00 1.01 0.00 0.00 58.87 59.60 3eey n SER 104 Cb 0.43 -3.84 0.00 0.00 -1.01 0.00 0.00 64.21 59.78 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 -1.58 0.98 3.43 0.23 0.00 -1.06 -5.07 105.19 102.12 3eey n GLY 105 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 0.58 5.04 0.03 1.61 -1.08 -1.26 -4.99 116.67 116.60 3eey s ASP 106 Ca 0.00 -0.23 0.23 0.00 -0.52 0.00 0.00 52.55 52.03 3eey s ASP 106 Cb 0.00 -1.90 0.13 0.00 -1.46 0.00 0.00 42.92 39.69 3eey s ASP 106 CO 0.00 -0.03 1.12 1.41 0.52 0.00 0.00 175.17 178.18 3eey n HIS 107 N 4.91 0.14 -0.04 -5.34 8.25 -1.26 -3.94 115.22 117.94 3eey n HIS 107 Ca -0.16 0.04 -0.08 0.00 -0.26 0.00 0.00 57.72 57.25 3eey n HIS 107 Cb 0.51 -0.30 -0.14 0.00 1.12 0.00 0.00 29.99 31.18 3eey n HIS 107 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3eey n SER 108 N -1.74 0.62 -4.49 0.41 3.41 -1.26 -4.74 113.62 105.83 3eey n SER 108 Ca 0.03 0.29 -0.42 0.00 -0.26 0.00 0.00 58.87 58.51 3eey n SER 108 Cb 0.39 0.27 -0.09 0.00 -0.26 0.00 0.00 64.21 64.51 3eey n SER 108 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3eey s ILE 109 N -2.59 5.18 0.06 -1.33 1.01 -1.26 -5.04 121.20 117.23 3eey s ILE 109 Ca -0.06 -0.36 0.01 0.00 0.00 0.00 0.00 60.65 60.24 3eey s ILE 109 Cb 0.07 -3.93 -0.00 0.00 0.01 0.00 0.00 42.46 38.61 3eey s ILE 109 CO 0.83 -0.28 0.06 -1.54 0.00 0.00 0.00 174.94 174.01 3eey n SER 110 N 5.36 -0.14 -4.76 3.58 3.41 -1.26 -4.64 113.62 115.17 3eey n SER 110 Ca -0.09 -1.40 -0.41 0.00 -0.26 0.00 0.00 58.87 56.71 3eey n SER 110 Cb 0.48 0.33 -0.04 0.00 -0.26 0.00 0.00 64.21 64.72 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 -2.28 3.32 0.10 6.66 -4.23 -1.00 -5.02 115.64 113.19 3eey s THR 111 Ca 0.07 1.27 0.09 0.00 -1.18 0.00 0.00 61.69 61.94 3eey s THR 111 Cb 0.00 -3.81 -0.04 0.00 1.34 0.00 0.00 72.50 70.00 3eey s THR 111 CO 0.05 0.28 -0.19 -0.13 -0.54 0.00 0.00 174.62 174.09 3eey s ARG 112 N -1.25 1.81 0.23 3.99 0.52 -1.26 -4.80 118.95 118.20 3eey s ARG 112 Ca 0.47 -1.15 -0.07 0.00 -0.52 0.00 0.00 55.73 54.47 3eey s ARG 112 Cb -0.34 -2.10 0.32 0.00 0.52 0.00 0.00 34.95 33.35 3eey s ARG 112 CO 0.43 0.49 1.81 -1.35 0.02 0.00 0.00 175.30 176.70 3eey h PRO 113 N 3.98 0.73 -0.27 3.54 0.11 -1.92 -1.59 132.00 136.59 3eey h PRO 113 Ca -0.49 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.56 3eey h PRO 113 Cb 1.16 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 3eey h PRO 113 CO 0.46 0.49 0.12 0.93 -0.21 0.00 0.00 178.00 179.78 3eey h GLU 114 N 0.76 0.40 0.01 1.05 3.07 -1.98 -1.09 114.58 116.79 3eey h GLU 114 Ca 0.35 -0.07 -0.21 0.00 -0.50 0.00 0.00 59.36 58.94 3eey h GLU 114 Cb 0.27 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 3eey h GLU 114 CO -0.22 0.41 -0.92 1.79 -1.40 0.00 0.00 179.01 178.67 3eey h THR 115 N 0.29 1.51 -0.15 1.13 1.35 -1.97 -2.38 112.91 112.70 3eey h THR 115 Ca 0.09 -2.71 -0.01 0.00 -0.55 0.00 0.00 66.41 63.24 3eey h THR 115 Cb 0.15 2.53 -0.01 0.00 -1.73 0.00 0.00 68.15 69.10 3eey h THR 115 CO -0.01 0.79 0.06 0.74 -0.25 0.00 0.00 175.52 176.85 3eey h THR 116 N 0.10 1.15 -0.62 6.82 2.02 -1.16 -0.51 112.91 120.71 3eey h THR 116 Ca -0.05 -0.45 0.00 0.00 0.77 0.00 0.00 66.41 66.68 3eey h THR 116 Cb 1.57 1.18 -0.03 0.00 -1.74 0.00 0.00 68.15 69.13 3eey h THR 116 CO 0.14 0.14 0.39 0.40 0.37 0.00 0.00 175.52 176.96 3eey h ILE 117 N 0.08 1.17 0.12 3.11 2.04 -1.21 0.71 117.51 123.54 3eey h ILE 117 Ca 0.05 -0.36 0.02 0.00 1.00 0.00 0.00 64.86 65.57 3eey h ILE 117 Cb 0.17 0.29 -0.04 0.00 -0.74 0.00 0.00 36.82 36.49 3eey h ILE 117 CO -0.00 0.18 -0.39 1.56 0.00 0.00 0.00 178.15 179.49 3eey h GLN 118 N 0.85 -0.60 -0.87 2.37 4.20 -1.36 -1.39 115.11 118.31 3eey h GLN 118 Ca 0.23 0.04 0.10 0.00 0.06 0.00 0.00 58.65 59.08 3eey h GLN 118 Cb -0.05 0.14 -0.08 0.00 0.30 0.00 0.00 27.48 27.79 3eey h GLN 118 CO -0.05 -0.40 0.51 0.00 -0.67 0.00 0.00 178.83 178.22 3eey h ALA 119 N -0.09 1.27 -0.79 3.87 0.00 -0.79 -0.66 119.26 122.08 3eey h ALA 119 Ca 0.02 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3eey h ALA 119 Cb 0.65 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 3eey h ALA 119 CO -0.22 0.12 0.38 -0.07 0.00 0.00 0.00 179.25 179.45 3eey h LEU 120 N 0.83 1.03 -0.60 0.00 3.38 -0.62 0.39 115.31 119.72 3eey h LEU 120 Ca 0.43 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 58.17 3eey h LEU 120 Cb 0.41 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3eey h LEU 120 CO -0.26 0.88 0.03 0.28 0.09 0.00 0.00 178.44 179.46 3eey h SER 121 N 1.11 1.01 -0.50 -0.43 0.02 -0.55 0.77 113.55 114.98 3eey h SER 121 Ca 0.27 -0.29 -0.06 0.00 -0.84 0.00 0.00 61.79 60.87 3eey h SER 121 Cb 0.12 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 3eey h SER 121 CO -0.03 1.05 0.08 0.11 -1.14 0.00 0.00 176.83 176.90 3eey h LYS 122 N 0.93 0.83 -0.75 3.45 1.79 -0.59 -1.91 116.57 120.33 3eey h LYS 122 Ca 0.17 -0.22 -0.05 0.00 -2.18 0.00 0.00 60.65 58.36 3eey h LYS 122 Cb 0.52 -0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 31.04 3eey h LYS 122 CO 0.02 0.83 0.26 0.00 -1.08 0.00 0.00 179.45 179.48 3eey h ALA 123 N 0.97 0.98 -0.09 3.86 0.00 -0.07 -1.15 119.26 123.76 3eey h ALA 123 Ca 0.15 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 3eey h ALA 123 Cb 0.40 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3eey h ALA 123 CO 0.01 0.65 -0.33 0.52 0.00 0.00 0.00 179.25 180.10 3eey h MET 124 N 1.11 0.18 -0.16 0.00 2.86 -0.69 -1.69 114.93 116.53 3eey h MET 124 Ca 0.24 -0.07 -0.07 0.00 -2.06 0.00 0.00 59.70 57.74 3eey h MET 124 Cb 0.28 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.93 3eey h MET 124 CO -0.01 0.50 -0.18 0.93 1.06 0.00 0.00 176.91 179.20 3eey h GLU 125 N 0.16 0.41 0.00 1.72 5.08 -1.09 -3.29 114.58 117.57 3eey h GLU 125 Ca 0.02 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 3eey h GLU 125 Cb 0.67 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.93 3eey h GLU 125 CO 0.05 0.79 0.00 -0.07 -1.00 0.00 0.00 179.01 178.78 3eey h LEU 126 N 0.05 0.00 -9.81 1.33 3.38 -0.95 -3.45 115.31 105.84 3eey h LEU 126 Ca 0.02 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.47 3eey h LEU 126 Cb 0.73 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.54 3eey h LEU 126 CO 0.04 0.00 0.67 -0.76 0.09 0.00 0.00 178.44 178.49 3eey s LEU 127 N -5.93 4.42 0.56 1.67 1.43 -0.66 -0.45 118.68 119.72 3eey s LEU 127 Ca 0.02 2.64 -0.17 0.00 -1.03 0.00 0.00 54.13 55.58 3eey s LEU 127 Cb 0.09 -3.64 -0.05 0.00 0.03 0.00 0.00 46.19 42.62 3eey s LEU 127 CO 0.53 -0.57 1.05 0.54 0.23 0.00 0.00 176.35 178.12 3eey s VAL 128 N -0.65 3.81 0.23 -1.59 0.11 0.29 -4.77 120.40 117.82 3eey s VAL 128 Ca 0.53 0.93 -0.32 0.00 -2.93 0.00 0.00 61.98 60.19 3eey s VAL 128 Cb -0.40 -3.41 -0.12 0.00 -1.53 0.00 0.00 36.38 30.93 3eey s VAL 128 CO 0.48 -0.43 1.69 0.42 -3.33 0.00 0.00 175.10 173.93 3eey s THR 129 N -2.32 2.05 0.00 5.04 -4.23 -1.26 -1.17 115.64 113.74 3eey s THR 129 Ca 0.65 0.04 0.00 0.00 -1.18 0.00 0.00 61.69 61.19 3eey s THR 129 Cb -0.16 -3.02 0.00 0.00 1.34 0.00 0.00 72.50 70.65 3eey s THR 129 CO 0.32 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.02 3eey n GLY 130 N 3.58 0.60 3.94 3.99 0.00 0.08 -5.02 105.19 112.36 3eey n GLY 130 Ca 0.14 -0.17 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.16 1.58 0.01 -0.02 0.00 -0.32 -4.91 107.32 101.50 3eey s GLY 131 Ca 0.00 -0.94 0.05 0.00 0.00 0.00 0.00 44.72 43.83 3eey s GLY 131 CO 0.00 -0.74 -0.14 -1.50 0.00 0.00 0.00 173.10 170.72 3eey s ILE 132 N -2.68 1.13 -0.12 0.90 2.07 -0.23 -2.45 121.20 119.82 3eey s ILE 132 Ca 0.50 -0.78 0.02 0.00 -1.41 0.00 0.00 60.65 58.98 3eey s ILE 132 Cb -0.10 -0.98 -0.01 0.00 0.13 0.00 0.00 42.46 41.50 3eey s ILE 132 CO 0.40 0.19 -0.18 -0.63 -1.91 0.00 0.00 174.94 172.81 3eey s ILE 133 N -0.55 2.60 -0.08 2.00 1.01 0.81 -1.62 121.20 125.37 3eey s ILE 133 Ca 0.04 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 59.88 3eey s ILE 133 Cb -0.06 -2.05 -0.03 0.00 0.01 0.00 0.00 42.46 40.33 3eey s ILE 133 CO 0.00 0.54 -0.10 0.42 0.00 0.00 0.00 174.94 175.81 3eey s THR 134 N 0.36 3.43 -0.20 2.92 -4.23 -0.59 -0.30 115.64 117.04 3eey s THR 134 Ca -0.14 -0.57 -0.01 0.00 -1.18 0.00 0.00 61.69 59.79 3eey s THR 134 Cb -0.17 -2.41 0.06 0.00 1.34 0.00 0.00 72.50 71.32 3eey s THR 134 CO 0.07 0.57 -0.01 -0.69 -0.54 0.00 0.00 174.62 174.02 3eey s VAL 135 N -0.46 0.96 -0.41 2.29 1.01 0.16 -0.23 120.40 123.71 3eey s VAL 135 Ca 0.06 -0.76 -0.18 0.00 0.00 0.00 0.00 61.98 61.10 3eey s VAL 135 Cb -0.12 -1.31 0.02 0.00 0.00 0.00 0.00 36.38 34.96 3eey s VAL 135 CO 0.02 -0.10 0.48 -0.69 0.00 0.00 0.00 175.10 174.82 3eey s VAL 136 N 1.67 5.03 -0.33 2.92 1.01 -0.54 -0.52 120.40 129.64 3eey s VAL 136 Ca -0.02 -0.13 -0.13 0.00 0.00 0.00 0.00 61.98 61.70 3eey s VAL 136 Cb -0.17 -4.04 -0.02 0.00 0.00 0.00 0.00 36.38 32.15 3eey s VAL 136 CO -0.07 -0.40 0.28 -0.63 0.00 0.00 0.00 175.10 174.28 3eey s ILE 137 N 2.29 5.25 -0.16 2.22 1.01 0.30 -1.17 121.20 130.93 3eey s ILE 137 Ca 0.15 -0.01 -0.09 0.00 0.00 0.00 0.00 60.65 60.70 3eey s ILE 137 Cb -0.16 -3.72 -0.05 0.00 0.01 0.00 0.00 42.46 38.55 3eey s ILE 137 CO 0.14 0.02 0.14 -0.31 0.00 0.00 0.00 174.94 174.94 3eey s TYR 138 N 1.84 3.49 0.00 3.97 2.02 -1.14 -1.86 117.35 125.68 3eey s TYR 138 Ca 0.09 0.43 0.00 0.00 -0.37 0.00 0.00 57.07 57.22 3eey s TYR 138 Cb -0.17 -2.08 0.00 0.00 -0.40 0.00 0.00 41.96 39.32 3eey s TYR 138 CO 0.11 0.48 0.00 2.48 -1.57 0.00 0.00 175.55 177.05 3eey n TYR 139 N 2.86 0.00 0.00 2.71 4.11 -1.26 -4.72 117.16 120.86 3eey n TYR 139 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.73 3eey n TYR 139 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.87 3eey n TYR 139 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 3eey n GLY 140 N 1.48 -1.47 0.00 -7.48 0.00 -1.26 -4.82 105.19 91.63 3eey n GLY 140 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.84 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 0.47 -0.74 0.14 -0.02 0.00 -1.26 -4.16 105.19 99.63 3eey n GLY 141 Ca 0.00 -1.57 -0.07 0.00 0.00 0.00 0.00 46.02 44.38 3eey n GLY 141 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3eey h ASP 142 N 0.00 0.11 -0.26 1.61 2.03 -1.99 -1.58 116.42 116.35 3eey h ASP 142 Ca 0.00 0.03 -0.17 0.00 -0.73 0.00 0.00 57.03 56.17 3eey h ASP 142 Cb 0.00 0.02 -0.00 0.00 -0.83 0.00 0.00 39.33 38.52 3eey h ASP 142 CO 0.00 0.10 -0.47 0.71 -1.03 0.00 0.00 179.24 178.55 3eey h THR 143 N 0.24 1.28 -0.31 1.15 1.35 -1.99 -1.04 112.91 113.59 3eey h THR 143 Ca 0.14 -1.65 -0.03 0.00 -0.55 0.00 0.00 66.41 64.31 3eey h THR 143 Cb 0.11 1.54 -0.01 0.00 -1.73 0.00 0.00 68.15 68.06 3eey h THR 143 CO -0.14 0.54 0.06 1.23 -0.25 0.00 0.00 175.52 176.96 3eey h GLY 144 N 0.82 0.54 0.93 5.82 0.00 -1.70 -2.08 103.07 107.39 3eey h GLY 144 Ca 0.04 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 46.98 3eey h GLY 144 CO 0.10 0.32 0.10 -2.75 0.00 0.00 0.00 176.54 174.32 3eey h PHE 145 N 0.33 0.64 -0.02 5.60 3.04 -1.15 -2.38 116.94 123.00 3eey h PHE 145 Ca 0.09 -0.07 -0.13 0.00 3.98 0.00 0.00 57.97 61.84 3eey h PHE 145 Cb 0.32 -0.18 -0.02 0.00 2.56 0.00 0.00 35.95 38.63 3eey h PHE 145 CO 0.02 0.62 -0.61 0.93 -2.02 0.00 0.00 178.31 177.25 3eey h GLU 146 N 0.48 0.07 -0.17 1.11 4.39 -1.20 -2.03 114.58 117.23 3eey h GLU 146 Ca 0.12 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.75 3eey h GLU 146 Cb 0.29 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 3eey h GLU 146 CO -0.00 0.66 0.01 1.49 -1.16 0.00 0.00 179.01 180.01 3eey h GLU 147 N 0.05 0.30 -0.26 2.33 4.81 -1.34 -2.33 114.58 118.15 3eey h GLU 147 Ca -0.01 -0.09 0.06 0.00 -0.13 0.00 0.00 59.36 59.19 3eey h GLU 147 Cb 1.09 -0.03 -0.07 0.00 0.63 0.00 0.00 28.75 30.37 3eey h GLU 147 CO 0.08 0.51 -0.24 -0.22 -0.73 0.00 0.00 179.01 178.42 3eey h LYS 148 N 0.06 -0.23 -0.44 1.92 3.64 -1.29 -0.47 116.57 119.77 3eey h LYS 148 Ca 0.05 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.46 3eey h LYS 148 Cb 0.37 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.21 3eey h LYS 148 CO 0.01 -0.15 0.27 0.93 -2.27 0.00 0.00 179.45 178.24 3eey h GLU 149 N -0.23 0.53 -0.09 1.90 4.39 -1.37 -1.62 114.58 118.09 3eey h GLU 149 Ca 0.14 -0.03 -0.19 0.00 0.34 0.00 0.00 59.36 59.62 3eey h GLU 149 Cb 0.45 -0.12 0.01 0.00 -0.10 0.00 0.00 28.75 28.99 3eey h GLU 149 CO -0.40 0.35 -0.68 0.87 -1.16 0.00 0.00 179.01 178.00 3eey h LYS 150 N 0.55 0.62 -0.46 2.33 1.57 -1.25 -1.17 116.57 118.76 3eey h LYS 150 Ca 0.17 -0.55 -0.01 0.00 -1.87 0.00 0.00 60.65 58.39 3eey h LYS 150 Cb -0.02 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 3eey h LYS 150 CO -0.06 1.16 0.26 0.28 -0.57 0.00 0.00 179.45 180.53 3eey h VAL 151 N 0.27 1.16 -0.43 0.50 2.07 -1.06 -1.06 116.25 117.69 3eey h VAL 151 Ca -0.06 -0.39 -0.12 0.00 0.82 0.00 0.00 66.70 66.95 3eey h VAL 151 Cb 1.33 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 3eey h VAL 151 CO 0.14 0.16 -0.20 -0.07 0.02 0.00 0.00 177.57 177.62 3eey h LEU 152 N 0.61 0.87 -0.98 2.57 3.38 -1.30 -0.18 115.31 120.28 3eey h LEU 152 Ca 0.16 -0.31 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 3eey h LEU 152 Cb 0.03 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3eey h LEU 152 CO -0.03 1.05 -0.25 -0.08 0.09 0.00 0.00 178.44 179.22 3eey h GLU 153 N 0.75 0.44 -0.14 1.13 4.81 -1.09 -1.28 114.58 119.21 3eey h GLU 153 Ca 0.11 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 3eey h GLU 153 Cb 0.73 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 3eey h GLU 153 CO 0.06 0.66 0.03 0.35 -0.73 0.00 0.00 179.01 179.38 3eey h PHE 154 N 0.39 0.24 0.00 0.92 3.57 -0.89 -3.26 116.94 117.92 3eey h PHE 154 Ca 0.06 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.48 3eey h PHE 154 Cb 0.65 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 3eey h PHE 154 CO 0.02 0.39 -0.22 -0.07 -2.23 0.00 0.00 178.31 176.20 3eey h LEU 155 N 0.02 0.00 -1.83 0.59 3.38 -0.83 -2.03 115.31 114.61 3eey h LEU 155 Ca 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3eey h LEU 155 Cb 0.27 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 3eey h LEU 155 CO 0.00 0.22 -0.11 0.11 0.09 0.00 0.00 178.44 178.74 3eey h LYS 156 N 0.00 0.00 -0.00 1.13 1.57 -1.27 -3.05 116.57 114.95 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 0.65 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.96 3eey h LYS 156 CO 0.03 0.11 -0.14 0.41 -0.57 0.00 0.00 179.45 179.29 3eey n GLY 157 N -1.14 -1.03 3.75 3.86 0.00 -0.76 -4.92 105.19 104.94 3eey n GLY 157 Ca -0.03 -0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.59 2.83 -0.02 1.61 1.01 -1.15 -4.91 120.40 117.17 3eey s VAL 158 Ca 0.25 0.72 -0.30 0.00 0.00 0.00 0.00 61.98 62.65 3eey s VAL 158 Cb 0.20 -3.46 -0.08 0.00 0.00 0.00 0.00 36.38 33.04 3eey s VAL 158 CO 0.51 0.13 1.94 -0.62 0.00 0.00 0.00 175.10 177.05 3eey s ASP 159 N 0.16 6.36 0.57 3.32 2.15 -1.26 -4.88 116.67 123.08 3eey s ASP 159 Ca 0.56 2.47 0.35 0.00 0.43 0.00 0.00 52.55 56.37 3eey s ASP 159 Cb -0.40 -2.53 1.52 0.00 -0.30 0.00 0.00 42.92 41.22 3eey s ASP 159 CO 0.44 -1.15 2.04 0.06 -0.17 0.00 0.00 175.17 176.39 3eey h GLN 160 N 10.99 0.00 0.00 4.34 3.07 -1.91 0.45 115.11 132.05 3eey h GLN 160 Ca -0.46 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.25 3eey h GLN 160 Cb 1.23 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.78 3eey h GLN 160 CO 0.95 0.00 -0.14 0.87 0.09 0.00 0.00 178.83 180.60 3eey h LYS 161 N 0.00 0.00 0.00 0.06 1.79 -2.02 -3.34 116.57 113.06 3eey h LYS 161 Ca 0.00 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 58.24 3eey h LYS 161 Cb 0.44 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.04 3eey h LYS 161 CO 0.00 0.14 -1.88 1.63 -1.08 0.00 0.00 179.45 178.25 3eey n LYS 162 N -3.21 1.28 -4.17 3.15 4.76 -0.84 -4.83 118.16 114.30 3eey n LYS 162 Ca 0.01 0.04 -0.16 0.00 -2.87 0.00 0.00 58.31 55.33 3eey n LYS 162 Cb 0.45 -1.32 -0.13 0.00 -1.84 0.00 0.00 35.03 32.19 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 -2.31 0.64 -0.25 2.13 0.08 0.09 -0.33 117.98 118.03 3eey s PHE 163 Ca -0.13 -0.25 -0.15 0.00 0.12 0.00 0.00 56.93 56.52 3eey s PHE 163 Cb 0.05 -0.39 -0.04 0.00 -0.57 0.00 0.00 43.02 42.06 3eey s PHE 163 CO 0.45 -0.03 0.38 0.42 -0.10 0.00 0.00 175.22 176.34 3eey s ILE 164 N -0.59 5.18 -0.29 0.64 1.01 0.26 -4.14 121.20 123.28 3eey s ILE 164 Ca -0.02 0.61 -0.01 0.00 0.00 0.00 0.00 60.65 61.24 3eey s ILE 164 Cb -0.05 -3.70 0.05 0.00 0.01 0.00 0.00 42.46 38.76 3eey s ILE 164 CO 0.00 0.19 -0.03 -0.69 0.00 0.00 0.00 174.94 174.41 3eey s VAL 165 N 1.81 2.80 -0.12 2.92 1.01 -1.26 -1.18 120.40 126.39 3eey s VAL 165 Ca 0.16 -1.42 -0.00 0.00 0.00 0.00 0.00 61.98 60.72 3eey s VAL 165 Cb -0.15 -2.61 -0.02 0.00 0.00 0.00 0.00 36.38 33.60 3eey s VAL 165 CO 0.09 -0.07 -0.10 -1.58 0.00 0.00 0.00 175.10 173.44 3eey s GLN 166 N 1.22 3.27 -0.07 2.72 0.74 -0.38 -4.97 119.66 122.19 3eey s GLN 166 Ca -0.06 -0.63 0.01 0.00 0.05 0.00 0.00 55.36 54.74 3eey s GLN 166 Cb -0.20 -2.66 -0.03 0.00 1.10 0.00 0.00 33.01 31.22 3eey s GLN 166 CO -0.02 0.33 -0.10 0.50 -0.55 0.00 0.00 175.29 175.45 3eey s ARG 167 N 0.08 2.77 -0.09 1.67 3.52 -1.26 -0.61 118.95 125.02 3eey s ARG 167 Ca -0.04 -0.61 0.04 0.00 -0.13 0.00 0.00 55.73 55.00 3eey s ARG 167 Cb -0.14 -2.54 -0.01 0.00 -1.56 0.00 0.00 34.95 30.70 3eey s ARG 167 CO 0.04 0.59 -0.23 0.99 -0.81 0.00 0.00 175.30 175.88 3eey s THR 168 N -0.62 2.17 -0.09 4.11 2.01 0.69 -5.01 115.64 118.90 3eey s THR 168 Ca 0.09 -1.00 -0.06 0.00 0.31 0.00 0.00 61.69 61.04 3eey s THR 168 Cb -0.11 -1.82 0.04 0.00 0.01 0.00 0.00 72.50 70.61 3eey s THR 168 CO 0.02 0.56 0.23 -0.62 -0.69 0.00 0.00 174.62 174.11 3eey s ASP 169 N 0.15 -0.23 -0.58 3.53 2.15 -1.26 -1.98 116.67 118.44 3eey s ASP 169 Ca -0.13 0.47 -0.17 0.00 0.43 0.00 0.00 52.55 53.15 3eey s ASP 169 Cb -0.16 0.40 0.13 0.00 -0.30 0.00 0.00 42.92 42.98 3eey s ASP 169 CO 0.07 -0.13 0.60 -0.36 -0.17 0.00 0.00 175.17 175.18 3eey s PHE 170 N 0.84 3.18 -0.79 -5.34 0.08 -1.26 -4.94 117.98 109.75 3eey s PHE 170 Ca -0.06 -1.21 0.26 0.00 0.12 0.00 0.00 56.93 56.04 3eey s PHE 170 Cb -0.07 -3.89 0.63 0.00 -0.57 0.00 0.00 43.02 39.11 3eey s PHE 170 CO -0.05 -1.13 1.54 0.44 -0.10 0.00 0.00 175.22 175.92 3eey n ILE 171 N 5.29 0.28 0.89 0.64 -5.35 -1.26 -3.25 119.36 116.61 3eey n ILE 171 Ca -0.10 -0.18 0.12 0.00 -0.27 0.00 0.00 62.75 62.32 3eey n ILE 171 Cb 0.41 -0.22 0.14 0.00 -1.74 0.00 0.00 39.64 38.24 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 -1.93 3.02 -4.83 7.28 6.94 -1.26 -4.94 115.26 119.54 3eey n ASN 172 Ca 0.05 -1.98 -0.38 0.00 -0.02 0.00 0.00 54.58 52.25 3eey n ASN 172 Cb 0.40 -0.05 -0.06 0.00 -2.36 0.00 0.00 39.78 37.71 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 -1.90 4.03 0.75 -3.83 -0.21 -1.20 -5.10 119.66 112.19 3eey s GLN 173 Ca 0.31 0.54 -0.02 0.00 0.02 0.00 0.00 55.36 56.21 3eey s GLN 173 Cb 0.21 -3.21 0.15 0.00 1.00 0.00 0.00 33.01 31.15 3eey s GLN 173 CO 0.30 0.66 1.02 0.00 -2.12 0.00 0.00 175.29 175.16 3eey n ALA 174 N 1.72 0.05 -3.52 6.09 0.00 -1.26 -4.66 120.51 118.93 3eey n ALA 174 Ca -0.12 -1.93 -0.19 0.00 0.00 0.00 0.00 53.44 51.20 3eey n ALA 174 Cb 0.52 0.29 0.07 0.00 0.00 0.00 0.00 19.45 20.33 3eey n ALA 174 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3eey n ASN 175 N -2.99 -2.07 -3.49 0.00 5.15 -1.26 -4.01 115.26 106.60 3eey n ASN 175 Ca 0.16 -0.67 -0.16 0.00 -0.60 0.00 0.00 54.58 53.31 3eey n ASN 175 Cb 0.59 -4.81 0.00 0.00 -0.53 0.00 0.00 39.78 35.03 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 -4.06 4.35 0.43 0.00 0.04 -1.26 -4.71 135.00 129.80 3eey s PRO 177 Ca 0.03 2.09 -0.25 0.00 0.04 0.00 0.00 61.00 62.91 3eey s PRO 177 Cb -0.00 -3.19 -0.09 0.00 0.04 0.00 0.00 34.50 31.25 3eey s PRO 177 CO 0.84 -0.32 1.29 -2.30 0.04 0.00 0.00 177.00 176.55 3eey n PRO 178 N 2.91 1.94 -4.08 0.56 -0.02 -1.26 -4.85 135.00 130.19 3eey n PRO 178 Ca 0.08 0.69 -0.36 0.00 -2.02 0.00 0.00 63.50 61.89 3eey n PRO 178 Cb 0.42 -2.41 -0.08 0.00 -0.02 0.00 0.00 33.50 31.41 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 -1.21 4.91 -0.20 4.25 1.01 -0.78 -4.50 121.20 124.69 3eey s ILE 179 Ca 0.62 -0.01 -0.09 0.00 0.00 0.00 0.00 60.65 61.17 3eey s ILE 179 Cb -0.50 -3.13 -0.04 0.00 0.01 0.00 0.00 42.46 38.79 3eey s ILE 179 CO 0.57 0.58 0.10 -0.22 0.00 0.00 0.00 174.94 175.97 3eey s LEU 180 N -0.63 3.98 -0.14 2.97 2.96 -0.84 -0.54 118.68 126.44 3eey s LEU 180 Ca 0.12 0.12 -0.01 0.00 -0.22 0.00 0.00 54.13 54.13 3eey s LEU 180 Cb -0.12 -2.03 -0.02 0.00 0.50 0.00 0.00 46.19 44.52 3eey s LEU 180 CO 0.02 0.14 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.39 3eey s VAL 181 N 0.59 3.21 -0.20 1.68 1.01 0.32 -0.22 120.40 126.79 3eey s VAL 181 Ca 0.06 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.41 3eey s VAL 181 Cb -0.12 -2.36 -0.00 0.00 0.00 0.00 0.00 36.38 33.89 3eey s VAL 181 CO 0.01 0.52 -0.09 0.00 0.00 0.00 0.00 175.10 175.54 3eey s ILE 183 N 1.25 4.03 -0.14 0.00 1.01 0.59 -1.25 121.20 126.69 3eey s ILE 183 Ca 0.03 -0.27 0.02 0.00 0.00 0.00 0.00 60.65 60.43 3eey s ILE 183 Cb -0.14 -2.86 0.01 0.00 0.01 0.00 0.00 42.46 39.47 3eey s ILE 183 CO -0.04 0.37 -0.21 -0.70 0.00 0.00 0.00 174.94 174.37 3eey s GLU 184 N 1.48 3.05 -0.01 2.79 2.12 -0.32 -0.13 118.70 127.68 3eey s GLU 184 Ca 0.06 -0.84 -0.30 0.00 0.36 0.00 0.00 54.97 54.24 3eey s GLU 184 Cb -0.15 -2.46 -0.04 0.00 0.26 0.00 0.00 34.13 31.75 3eey s GLU 184 CO 0.02 -0.01 1.14 0.21 -0.54 0.00 0.00 175.26 176.08 3eey s LYS 185 N 0.80 4.43 0.00 4.30 2.20 -1.03 -0.57 119.74 129.87 3eey s LYS 185 Ca -0.07 1.63 0.00 0.00 -0.36 0.00 0.00 55.97 57.17 3eey s LYS 185 Cb -0.16 -3.46 0.00 0.00 -1.51 0.00 0.00 37.83 32.71 3eey s LYS 185 CO -0.01 -0.29 0.48 0.44 -0.36 0.00 0.00 175.35 175.61