#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 1.43 0.05 1.96 2.01 -1.26 -5.11 115.64 114.71 3eey s THR 2 Ca 0.00 -0.99 -0.30 0.00 0.31 0.00 0.00 61.69 60.71 3eey s THR 2 Cb 0.00 -1.23 -0.08 0.00 0.01 0.00 0.00 72.50 71.20 3eey s THR 2 CO 0.00 0.22 1.65 -0.63 -0.69 0.00 0.00 174.62 175.17 3eey s ILE 3 N -0.67 3.16 0.49 1.82 1.01 -1.26 -5.00 121.20 120.75 3eey s ILE 3 Ca 0.06 0.53 -0.17 0.00 0.00 0.00 0.00 60.65 61.08 3eey s ILE 3 Cb -0.08 -3.34 -0.08 0.00 0.01 0.00 0.00 42.46 38.97 3eey s ILE 3 CO 0.01 -0.01 0.95 -0.54 0.00 0.00 0.00 174.94 175.35 3eey s LYS 4 N 2.92 3.98 1.30 2.79 1.02 -1.26 -5.08 119.74 125.40 3eey s LYS 4 Ca 0.74 0.93 -0.20 0.00 0.02 0.00 0.00 55.97 57.45 3eey s LYS 4 Cb -0.38 -2.18 0.32 0.00 -0.52 0.00 0.00 37.83 35.07 3eey s LYS 4 CO 0.32 -0.20 1.03 0.54 -0.92 0.00 0.00 175.35 176.12 3eey s ASN 5 N -2.91 0.05 0.15 2.83 4.22 -1.26 -4.60 114.94 113.42 3eey s ASN 5 Ca 0.59 0.79 -0.14 0.00 -2.14 0.00 0.00 52.86 51.95 3eey s ASN 5 Cb -0.10 -1.12 0.03 0.00 1.28 0.00 0.00 41.25 41.35 3eey s ASN 5 CO 0.28 -4.67 1.72 0.28 -2.04 0.00 0.00 177.10 172.67 3eey h SER 6 N -2.95 0.65 -0.43 3.54 0.02 -1.94 0.15 113.55 112.58 3eey h SER 6 Ca -0.45 -0.14 0.07 0.00 -0.84 0.00 0.00 61.79 60.42 3eey h SER 6 Cb 1.32 -0.17 -0.06 0.00 0.14 0.00 0.00 62.40 63.63 3eey h SER 6 CO 0.33 0.61 0.10 0.25 -1.14 0.00 0.00 176.83 176.98 3eey h LEU 7 N 0.65 0.03 -0.81 5.07 5.85 -1.92 -0.55 115.31 123.62 3eey h LEU 7 Ca 0.17 0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.87 3eey h LEU 7 Cb 0.15 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 3eey h LEU 7 CO -0.02 0.05 -0.02 1.23 -0.34 0.00 0.00 178.44 179.34 3eey h GLY 8 N 0.23 0.94 1.98 3.75 0.00 -1.79 -3.16 103.07 105.02 3eey h GLY 8 Ca 0.21 -0.66 -0.13 0.00 0.00 0.00 0.00 47.33 46.75 3eey h GLY 8 CO -0.27 0.61 -0.61 1.46 0.00 0.00 0.00 176.54 177.74 3eey h GLN 9 N 0.80 0.02 -0.24 4.80 4.20 -0.33 -2.99 115.11 121.36 3eey h GLN 9 Ca 0.15 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.84 3eey h GLN 9 Cb 0.51 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 3eey h GLN 9 CO 0.03 0.62 0.14 0.66 -0.67 0.00 0.00 178.83 179.61 3eey h SER 10 N 0.01 0.30 -0.78 1.46 4.64 -1.07 -0.58 113.55 117.53 3eey h SER 10 Ca -0.01 -0.06 0.06 0.00 -0.47 0.00 0.00 61.79 61.32 3eey h SER 10 Cb 1.08 -0.08 -0.06 0.00 -0.31 0.00 0.00 62.40 63.03 3eey h SER 10 CO 0.08 0.27 0.46 0.45 -0.87 0.00 0.00 176.83 177.23 3eey h HIS 11 N 0.30 0.85 -0.71 4.77 3.86 -1.59 0.15 115.15 122.78 3eey h HIS 11 Ca 0.09 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.26 3eey h HIS 11 Cb 0.04 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.21 3eey h HIS 11 CO -0.04 0.41 0.18 -0.44 0.86 0.00 0.00 177.93 178.90 3eey h ASP 12 N 0.83 1.06 -0.05 2.45 5.19 -1.32 0.05 116.42 124.63 3eey h ASP 12 Ca 0.35 -0.22 -0.11 0.00 -0.62 0.00 0.00 57.03 56.43 3eey h ASP 12 Cb 0.20 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.42 3eey h ASP 12 CO -0.19 1.01 -0.32 1.88 -3.12 0.00 0.00 179.24 178.50 3eey h TYR 13 N 1.06 0.60 -0.19 4.55 -1.99 -0.69 -2.70 116.97 117.62 3eey h TYR 13 Ca 0.22 -0.15 -0.06 0.00 2.00 0.00 0.00 58.73 60.74 3eey h TYR 13 Cb 0.36 -0.14 -0.00 0.00 2.00 0.00 0.00 36.73 38.94 3eey h TYR 13 CO 0.03 0.78 -0.13 0.82 -0.00 0.00 0.00 178.16 179.66 3eey h ILE 14 N 0.45 1.32 -0.82 -2.88 1.08 -0.59 -3.12 117.51 112.96 3eey h ILE 14 Ca 0.05 -1.23 0.09 0.00 -0.39 0.00 0.00 64.86 63.38 3eey h ILE 14 Cb 0.77 1.73 -0.06 0.00 -3.07 0.00 0.00 36.82 36.19 3eey h ILE 14 CO 0.06 0.37 0.53 0.11 -0.69 0.00 0.00 178.15 178.54 3eey h LYS 15 N 0.09 0.76 -0.57 2.37 1.57 -1.01 1.00 116.57 120.78 3eey h LYS 15 Ca 0.04 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.80 3eey h LYS 15 Cb 0.64 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 3eey h LYS 15 CO 0.03 0.50 0.38 0.52 -0.57 0.00 0.00 179.45 180.31 3eey h MET 16 N 0.78 0.66 0.00 3.15 2.86 -1.44 -3.35 114.93 117.59 3eey h MET 16 Ca 0.37 -0.04 -0.25 0.00 -2.06 0.00 0.00 59.70 57.73 3eey h MET 16 Cb 0.42 -0.15 -0.05 0.00 0.06 0.00 0.00 31.60 31.88 3eey h MET 16 CO -0.15 0.43 -1.94 1.19 1.06 0.00 0.00 176.91 177.51 3eey n PHE 17 N -4.46 0.00 -3.01 -0.22 3.72 -0.67 -4.95 117.46 107.87 3eey n PHE 17 Ca 0.07 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.05 3eey n PHE 17 Cb 0.12 -0.67 -0.05 0.00 -0.94 0.00 0.00 39.48 37.94 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 -2.33 4.85 0.55 -4.37 1.01 0.26 -5.02 120.40 115.35 3eey s VAL 18 Ca -0.10 1.07 0.08 0.00 0.00 0.00 0.00 61.98 63.03 3eey s VAL 18 Cb 0.04 -4.09 0.06 0.00 0.00 0.00 0.00 36.38 32.39 3eey s VAL 18 CO 0.53 -0.20 0.60 -1.59 0.00 0.00 0.00 175.10 174.43 3eey s LYS 19 N 2.82 2.30 0.25 2.72 -2.85 -1.26 -4.83 119.74 118.89 3eey s LYS 19 Ca 0.30 -1.80 -0.30 0.00 -1.00 0.00 0.00 55.97 53.17 3eey s LYS 19 Cb -0.14 -2.39 -0.09 0.00 -2.06 0.00 0.00 37.83 33.14 3eey s LYS 19 CO 0.12 -0.71 1.06 -1.21 0.10 0.00 0.00 175.35 174.71 3eey s GLU 20 N -4.47 4.68 0.00 1.78 2.02 -1.25 -3.44 118.70 118.02 3eey s GLU 20 Ca 0.49 1.72 0.00 0.00 0.02 0.00 0.00 54.97 57.20 3eey s GLU 20 Cb -0.04 -3.23 0.00 0.00 0.10 0.00 0.00 34.13 30.96 3eey s GLU 20 CO 0.30 0.25 0.00 0.41 0.02 0.00 0.00 175.26 176.25 3eey n GLY 21 N 1.42 0.71 3.80 -1.39 0.00 0.12 -4.97 105.19 104.88 3eey n GLY 21 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.00 4.50 -0.21 1.61 1.01 -1.22 -4.51 116.67 114.85 3eey s ASP 22 Ca 0.00 1.32 -0.06 0.00 0.71 0.00 0.00 52.55 54.52 3eey s ASP 22 Cb 0.00 -2.06 -0.03 0.00 1.01 0.00 0.00 42.92 41.84 3eey s ASP 22 CO 0.00 -1.97 0.03 -0.89 0.21 0.00 0.00 175.17 172.55 3eey s THR 23 N -3.15 4.16 0.20 -1.27 2.01 -1.26 -1.93 115.64 114.41 3eey s THR 23 Ca 0.61 -0.24 0.05 0.00 0.31 0.00 0.00 61.69 62.42 3eey s THR 23 Cb -0.14 -2.90 -0.05 0.00 0.01 0.00 0.00 72.50 69.42 3eey s THR 23 CO 0.54 0.41 -0.08 0.68 -0.69 0.00 0.00 174.62 175.48 3eey s VAL 24 N 1.10 1.31 -0.06 3.82 -7.23 -0.25 -0.49 120.40 118.61 3eey s VAL 24 Ca 0.03 -2.09 0.03 0.00 -1.81 0.00 0.00 61.98 58.14 3eey s VAL 24 Cb -0.14 -2.12 0.01 0.00 0.56 0.00 0.00 36.38 34.69 3eey s VAL 24 CO 0.02 -0.53 -0.14 -0.69 -0.31 0.00 0.00 175.10 173.45 3eey s VAL 25 N -3.24 1.26 -0.47 1.32 1.01 0.65 -1.37 120.40 119.56 3eey s VAL 25 Ca 0.23 -0.58 -0.11 0.00 0.00 0.00 0.00 61.98 61.53 3eey s VAL 25 Cb 0.03 -1.12 0.11 0.00 0.00 0.00 0.00 36.38 35.40 3eey s VAL 25 CO 0.06 0.38 0.35 -0.62 0.00 0.00 0.00 175.10 175.27 3eey s ASP 26 N 0.41 5.79 0.02 3.32 -1.08 -0.06 -1.08 116.67 123.98 3eey s ASP 26 Ca -0.11 -1.77 0.26 0.00 -0.52 0.00 0.00 52.55 50.41 3eey s ASP 26 Cb -0.14 -2.05 1.09 0.00 -1.46 0.00 0.00 42.92 40.36 3eey s ASP 26 CO 0.03 -0.68 1.83 0.00 0.52 0.00 0.00 175.17 176.87 3eey n ALA 27 N 4.98 2.20 -3.44 3.66 0.00 -0.73 -1.74 120.51 125.44 3eey n ALA 27 Ca -0.10 -0.08 -0.28 0.00 0.00 0.00 0.00 53.44 52.99 3eey n ALA 27 Cb 0.41 -1.43 -0.11 0.00 0.00 0.00 0.00 19.45 18.33 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 -3.02 0.40 0.10 0.00 -4.23 -1.25 -4.57 115.64 103.08 3eey s THR 28 Ca 0.12 -2.41 -0.25 0.00 -1.18 0.00 0.00 61.69 57.97 3eey s THR 28 Cb 0.17 -1.29 -0.12 0.00 1.34 0.00 0.00 72.50 72.59 3eey s THR 28 CO 0.49 -1.14 1.69 0.00 -0.54 0.00 0.00 174.62 175.11 3eey n GLY 30 N -1.26 3.86 0.03 0.00 0.00 -1.26 -1.24 105.19 105.31 3eey n GLY 30 Ca -0.07 0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.17 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 6.73 0.35 0.00 1.61 3.02 -1.26 -4.41 115.26 121.30 3eey n ASN 31 Ca 0.00 0.29 0.00 0.00 -0.03 0.00 0.00 54.58 54.84 3eey n ASN 31 Cb 0.00 -0.30 0.00 0.00 -0.61 0.00 0.00 39.78 38.87 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 1.45 0.99 0.12 7.41 0.00 -0.37 -3.91 105.19 110.87 3eey n GLY 32 Ca 0.06 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 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 0.27 0.43 1.61 2.35 -1.93 -0.11 115.58 118.20 3eey h ASN 33 Ca 0.00 -0.17 -0.09 0.00 -0.55 0.00 0.00 56.30 55.49 3eey h ASN 33 Cb 0.00 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 3eey h ASN 33 CO 0.00 0.37 -0.43 0.44 -1.65 0.00 0.00 177.43 176.16 3eey h ASP 34 N 0.16 0.00 -0.17 5.81 3.32 -1.94 -2.06 116.42 121.53 3eey h ASP 34 Ca 0.06 -0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.05 3eey h ASP 34 Cb 0.19 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.73 3eey h ASP 34 CO -0.00 0.43 -0.15 0.74 -1.72 0.00 0.00 179.24 178.54 3eey h THR 35 N 0.00 1.33 -0.47 0.35 2.02 -1.78 -0.54 112.91 113.82 3eey h THR 35 Ca -0.00 -1.28 -0.03 0.00 0.77 0.00 0.00 66.41 65.87 3eey h THR 35 Cb 0.77 1.79 -0.02 0.00 -1.74 0.00 0.00 68.15 68.94 3eey h THR 35 CO 0.06 0.38 0.19 0.00 0.37 0.00 0.00 175.52 176.52 3eey h ALA 36 N 0.64 0.60 -0.25 6.16 0.00 -1.00 -0.96 119.26 124.46 3eey h ALA 36 Ca 0.03 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.84 3eey h ALA 36 Cb 0.67 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 3eey h ALA 36 CO 0.04 0.21 -0.06 0.35 0.00 0.00 0.00 179.25 179.79 3eey h PHE 37 N 0.61 -0.13 -0.27 0.00 3.57 -1.32 -1.85 116.94 117.55 3eey h PHE 37 Ca 0.16 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.60 3eey h PHE 37 Cb 0.19 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 3eey h PHE 37 CO 0.00 -0.10 -0.18 -0.07 -2.23 0.00 0.00 178.31 175.73 3eey h LEU 38 N 0.00 0.47 -0.62 0.59 3.38 -0.88 -2.86 115.31 115.39 3eey h LEU 38 Ca 0.12 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 3eey h LEU 38 Cb 0.18 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3eey h LEU 38 CO -0.25 0.67 -0.05 0.00 0.09 0.00 0.00 178.44 178.89 3eey h ALA 39 N 1.38 0.83 -0.01 1.53 0.00 -0.84 -2.74 119.26 119.40 3eey h ALA 39 Ca 0.07 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.54 3eey h ALA 39 Cb 0.56 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3eey h ALA 39 CO 0.04 0.67 -0.55 0.66 0.00 0.00 0.00 179.25 180.06 3eey h SER 40 N 0.93 0.03 1.05 0.00 4.64 -1.20 -2.91 113.55 116.08 3eey h SER 40 Ca 0.16 -0.02 -0.11 0.00 -0.47 0.00 0.00 61.79 61.34 3eey h SER 40 Cb 0.61 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.68 3eey h SER 40 CO 0.04 0.58 -0.54 -0.07 -0.87 0.00 0.00 176.83 175.96 3eey h LEU 41 N 0.02 0.00 0.00 5.97 3.38 -1.40 -3.35 115.31 119.93 3eey h LEU 41 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3eey h LEU 41 Cb 0.98 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 3eey h LEU 41 CO 0.07 0.54 -1.68 0.55 0.09 0.00 0.00 178.44 178.02 3eey n VAL 42 N -3.44 0.25 -4.04 1.22 3.14 -1.04 -3.82 118.33 110.60 3eey n VAL 42 Ca 0.00 -0.53 0.00 0.00 -2.96 0.00 0.00 64.34 60.86 3eey n VAL 42 Cb 0.66 -0.13 0.00 0.00 -1.06 0.00 0.00 33.84 33.31 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 1.25 -1.93 0.21 7.55 0.00 -1.11 0.12 105.19 111.27 3eey n GLY 43 Ca -0.04 -1.39 -0.09 0.00 0.00 0.00 0.00 46.02 44.50 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 0.68 -0.40 1.61 4.57 -1.96 -3.15 114.58 115.94 3eey h GLU 44 Ca 0.00 -0.16 0.00 0.00 -1.18 0.00 0.00 59.36 58.02 3eey h GLU 44 Cb 0.00 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.50 3eey h GLU 44 CO 0.00 0.68 0.00 0.09 -1.18 0.00 0.00 179.01 178.60 3eey n ASN 45 N -4.55 2.39 -5.01 1.04 3.02 -1.26 -4.89 115.26 106.00 3eey n ASN 45 Ca 0.00 -1.94 -0.17 0.00 -0.03 0.00 0.00 54.58 52.44 3eey n ASN 45 Cb 0.20 -0.26 0.01 0.00 -0.61 0.00 0.00 39.78 39.12 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 -1.15 1.93 -0.04 7.41 0.00 -1.19 -4.60 107.32 109.68 3eey s GLY 46 Ca 0.32 -1.68 -0.00 0.00 0.00 0.00 0.00 44.72 43.36 3eey s GLY 46 CO 0.23 -1.48 -0.01 -1.60 0.00 0.00 0.00 173.10 170.24 3eey s ARG 47 N -4.38 0.48 -0.21 2.90 6.06 -0.81 -4.75 118.95 118.24 3eey s ARG 47 Ca 0.55 0.06 -0.03 0.00 -2.50 0.00 0.00 55.73 53.82 3eey s ARG 47 Cb -0.10 -0.69 -0.00 0.00 0.06 0.00 0.00 34.95 34.22 3eey s ARG 47 CO 0.34 -0.18 -0.09 0.08 -2.50 0.00 0.00 175.30 172.95 3eey s VAL 48 N 1.32 3.02 -0.22 7.11 1.01 -0.02 -1.09 120.40 131.53 3eey s VAL 48 Ca -0.05 -0.61 -0.16 0.00 0.00 0.00 0.00 61.98 61.15 3eey s VAL 48 Cb -0.13 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 3eey s VAL 48 CO -0.02 0.45 0.42 -0.36 0.00 0.00 0.00 175.10 175.59 3eey s PHE 49 N 1.42 3.33 0.00 5.22 0.08 -0.47 -0.38 117.98 127.18 3eey s PHE 49 Ca 0.05 0.59 0.06 0.00 0.12 0.00 0.00 56.93 57.75 3eey s PHE 49 Cb -0.14 -2.57 -0.03 0.00 -0.57 0.00 0.00 43.02 39.71 3eey s PHE 49 CO -0.06 -0.10 -0.17 0.20 -0.10 0.00 0.00 175.22 174.99 3eey s GLY 50 N 1.25 1.53 -0.02 4.36 0.00 -0.16 -0.88 107.32 113.40 3eey s GLY 50 Ca 0.19 -1.10 0.02 0.00 0.00 0.00 0.00 44.72 43.83 3eey s GLY 50 CO 0.09 -0.94 -0.07 -1.36 0.00 0.00 0.00 173.10 170.81 3eey s PHE 51 N -0.83 0.73 0.02 1.90 0.08 -0.71 -0.66 117.98 118.51 3eey s PHE 51 Ca 0.13 -0.17 -0.28 0.00 0.12 0.00 0.00 56.93 56.74 3eey s PHE 51 Cb -0.11 -0.53 0.07 0.00 -0.57 0.00 0.00 43.02 41.88 3eey s PHE 51 CO 0.03 -0.08 0.67 0.34 -0.10 0.00 0.00 175.22 176.08 3eey s ASP 52 N 0.20 -0.61 0.00 1.36 -1.08 -1.10 -0.87 116.67 114.56 3eey s ASP 52 Ca -0.03 0.44 0.25 0.00 -0.52 0.00 0.00 52.55 52.69 3eey s ASP 52 Cb -0.07 0.55 0.42 0.00 -1.46 0.00 0.00 42.92 42.36 3eey s ASP 52 CO 0.00 -0.73 1.37 2.30 0.52 0.00 0.00 175.17 178.63 3eey n ILE 53 N 0.42 0.00 -4.44 4.11 -5.35 -1.26 -2.85 119.36 109.99 3eey n ILE 53 Ca -0.18 -0.27 -0.35 0.00 -0.27 0.00 0.00 62.75 61.69 3eey n ILE 53 Cb 0.60 0.94 -0.10 0.00 -1.74 0.00 0.00 39.64 39.34 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 -2.31 2.97 0.23 6.28 -0.21 -1.26 -4.96 119.66 120.40 3eey s GLN 54 Ca 0.25 -0.45 0.00 0.00 0.02 0.00 0.00 55.36 55.19 3eey s GLN 54 Cb 0.19 -2.75 0.24 0.00 1.00 0.00 0.00 33.01 31.69 3eey s GLN 54 CO 0.46 0.66 1.59 -0.44 -2.12 0.00 0.00 175.29 175.44 3eey h ASP 55 N 5.29 0.49 -0.77 5.90 3.32 -2.00 -2.58 116.42 126.07 3eey h ASP 55 Ca -0.49 -0.24 -0.04 0.00 0.02 0.00 0.00 57.03 56.29 3eey h ASP 55 Cb 1.19 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.56 3eey h ASP 55 CO 0.54 0.89 0.34 0.50 -1.72 0.00 0.00 179.24 179.79 3eey h LYS 56 N 0.37 1.12 -0.17 3.56 3.64 -1.99 -2.13 116.57 120.98 3eey h LYS 56 Ca 0.02 -0.19 -0.19 0.00 -1.27 0.00 0.00 60.65 59.03 3eey h LYS 56 Cb 0.96 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.59 3eey h LYS 56 CO 0.08 0.90 -0.65 0.00 -2.27 0.00 0.00 179.45 177.51 3eey h ALA 57 N 1.17 0.54 -0.57 5.00 0.00 -1.78 -2.24 119.26 121.39 3eey h ALA 57 Ca 0.26 -0.56 -0.10 0.00 0.00 0.00 0.00 54.91 54.51 3eey h ALA 57 Cb 0.17 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3eey h ALA 57 CO -0.03 0.71 -0.04 0.82 0.00 0.00 0.00 179.25 180.71 3eey h ILE 58 N 0.45 1.27 -0.40 0.00 1.08 -1.40 -2.32 117.51 116.19 3eey h ILE 58 Ca -0.02 -1.19 -0.08 0.00 -0.39 0.00 0.00 64.86 63.19 3eey h ILE 58 Cb 1.23 0.88 -0.01 0.00 -3.07 0.00 0.00 36.82 35.85 3eey h ILE 58 CO 0.13 0.43 -0.05 0.00 -0.69 0.00 0.00 178.15 177.97 3eey h ALA 59 N 0.96 0.55 -0.40 1.87 0.00 -1.38 -0.84 119.26 120.01 3eey h ALA 59 Ca 0.16 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 3eey h ALA 59 Cb 0.60 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3eey h ALA 59 CO 0.04 0.37 -0.05 -0.91 0.00 0.00 0.00 179.25 178.70 3eey h ASN 60 N 0.56 0.65 -0.20 0.00 2.35 -1.40 -0.58 115.58 116.96 3eey h ASN 60 Ca 0.11 -0.16 -0.20 0.00 -0.55 0.00 0.00 56.30 55.50 3eey h ASN 60 Cb 0.55 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.75 3eey h ASN 60 CO 0.03 0.76 -0.63 0.74 -1.65 0.00 0.00 177.43 176.67 3eey h THR 61 N 0.63 1.28 -0.46 2.81 2.02 -1.33 -1.67 112.91 116.20 3eey h THR 61 Ca 0.12 -1.83 -0.01 0.00 0.77 0.00 0.00 66.41 65.46 3eey h THR 61 Cb 0.47 1.77 -0.02 0.00 -1.74 0.00 0.00 68.15 68.63 3eey h THR 61 CO 0.02 0.59 0.23 0.74 0.37 0.00 0.00 175.52 177.48 3eey h THR 62 N 0.60 1.17 -0.27 3.16 2.02 -0.95 -1.60 112.91 117.04 3eey h THR 62 Ca -0.01 -0.48 -0.01 0.00 0.77 0.00 0.00 66.41 66.69 3eey h THR 62 Cb 1.24 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.29 3eey h THR 62 CO 0.13 0.19 0.15 0.50 0.37 0.00 0.00 175.52 176.86 3eey h LYS 63 N 0.60 0.37 0.07 6.66 3.64 -1.10 -2.14 116.57 124.67 3eey h LYS 63 Ca 0.16 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.52 3eey h LYS 63 Cb 0.09 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.79 3eey h LYS 63 CO -0.02 0.33 -0.30 0.87 -2.27 0.00 0.00 179.45 178.06 3eey h LYS 64 N 0.32 -0.47 -0.07 1.90 1.79 -1.17 -2.54 116.57 116.33 3eey h LYS 64 Ca 0.09 0.03 -0.12 0.00 -2.18 0.00 0.00 60.65 58.48 3eey h LYS 64 Cb 0.07 0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.81 3eey h LYS 64 CO -0.01 -0.31 -0.48 -0.07 -1.08 0.00 0.00 179.45 177.49 3eey h LEU 65 N -0.48 0.19 -0.35 2.94 3.38 -1.26 -2.75 115.31 116.97 3eey h LEU 65 Ca 0.04 -0.09 -0.18 0.00 0.09 0.00 0.00 57.88 57.75 3eey h LEU 65 Cb 0.54 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 3eey h LEU 65 CO -0.21 0.64 -0.50 0.74 0.09 0.00 0.00 178.44 179.20 3eey h THR 66 N 0.14 1.28 0.00 0.22 2.02 -1.38 0.56 112.91 115.75 3eey h THR 66 Ca 0.01 -1.69 -0.03 0.00 0.77 0.00 0.00 66.41 65.47 3eey h THR 66 Cb 0.90 1.57 -0.00 0.00 -1.74 0.00 0.00 68.15 68.88 3eey h THR 66 CO 0.07 0.55 -0.16 0.44 0.37 0.00 0.00 175.52 176.80 3eey h ASP 67 N 0.68 0.00 -0.56 4.18 5.19 -1.31 -2.64 116.42 121.96 3eey h ASP 67 Ca 0.03 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 3eey h ASP 67 Cb 1.10 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.61 3eey h ASP 67 CO 0.11 0.16 0.00 0.18 -3.12 0.00 0.00 179.24 176.57 3eey n LEU 68 N -3.48 3.56 -3.80 1.55 4.77 -1.05 -4.98 117.00 113.58 3eey n LEU 68 Ca -0.01 -1.88 -0.24 0.00 -0.03 0.00 0.00 56.01 53.85 3eey n LEU 68 Cb 0.32 -0.37 0.02 0.00 -2.33 0.00 0.00 43.42 41.06 3eey n LEU 68 CO 0.31 0.87 -0.05 -3.20 -1.33 0.00 0.00 177.39 173.98 3eey n ASN 69 N 1.31 -1.89 0.00 -1.43 5.15 -0.82 -4.91 115.26 112.67 3eey n ASN 69 Ca 0.20 -0.84 0.00 0.00 -0.60 0.00 0.00 54.58 53.34 3eey n ASN 69 Cb 0.56 -3.85 0.00 0.00 -0.53 0.00 0.00 39.78 35.96 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 -4.39 0.69 0.29 1.20 4.77 0.19 -4.76 117.00 114.99 3eey n LEU 70 Ca -0.22 -0.78 0.17 0.00 -0.03 0.00 0.00 56.01 55.16 3eey n LEU 70 Cb 0.64 0.00 0.83 0.00 -2.33 0.00 0.00 43.42 42.57 3eey n LEU 70 CO 0.71 0.17 1.03 -0.29 -1.33 0.00 0.00 177.39 177.69 3eey h ILE 71 N 0.12 0.20 -0.12 -0.08 6.09 -1.82 -3.14 117.51 118.75 3eey h ILE 71 Ca 0.00 -0.41 -0.08 0.00 -1.37 0.00 0.00 64.86 63.00 3eey h ILE 71 Cb 0.06 1.34 -0.01 0.00 0.47 0.00 0.00 36.82 38.67 3eey h ILE 71 CO 0.00 0.05 -0.27 0.44 -3.07 0.00 0.00 178.15 175.30 3eey h ASP 72 N 0.00 0.22 -0.01 2.19 3.32 -1.90 -3.02 116.42 117.23 3eey h ASP 72 Ca -0.00 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.98 3eey h ASP 72 Cb 0.33 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3eey h ASP 72 CO 0.01 0.50 -0.04 -2.11 -1.72 0.00 0.00 179.24 175.87 3eey n ARG 73 N -4.15 1.94 -4.34 3.56 1.85 -1.19 -4.91 116.66 109.43 3eey n ARG 73 Ca -0.01 -1.44 -0.34 0.00 -1.00 0.00 0.00 57.85 55.06 3eey n ARG 73 Cb 0.37 -1.47 -0.13 0.00 -1.05 0.00 0.00 32.46 30.18 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 -2.05 3.54 -0.48 8.89 1.01 -1.14 -0.84 120.40 129.32 3eey s VAL 74 Ca 0.31 -0.47 -0.14 0.00 0.00 0.00 0.00 61.98 61.68 3eey s VAL 74 Cb 0.20 -2.56 0.10 0.00 0.00 0.00 0.00 36.38 34.12 3eey s VAL 74 CO 0.34 0.48 0.39 -0.89 0.00 0.00 0.00 175.10 175.42 3eey s THR 75 N 0.72 4.91 -0.08 3.92 2.01 0.49 -4.97 115.64 122.63 3eey s THR 75 Ca -0.03 -1.34 -0.25 0.00 0.31 0.00 0.00 61.69 60.38 3eey s THR 75 Cb -0.15 -4.04 -0.03 0.00 0.01 0.00 0.00 72.50 68.30 3eey s THR 75 CO 0.02 -0.67 0.80 -0.76 -0.69 0.00 0.00 174.62 173.32 3eey s LEU 76 N 1.55 4.28 -0.14 4.42 1.43 -1.26 -0.99 118.68 127.97 3eey s LEU 76 Ca 0.04 1.29 0.01 0.00 -1.03 0.00 0.00 54.13 54.43 3eey s LEU 76 Cb -0.26 -3.24 0.02 0.00 0.03 0.00 0.00 46.19 42.74 3eey s LEU 76 CO 0.04 -0.24 -0.15 -0.63 0.23 0.00 0.00 176.35 175.60 3eey s ILE 77 N 1.27 1.63 -1.26 -0.59 1.01 0.16 -4.96 121.20 118.46 3eey s ILE 77 Ca 0.41 -0.68 -0.11 0.00 0.00 0.00 0.00 60.65 60.26 3eey s ILE 77 Cb -0.18 -1.50 0.16 0.00 0.01 0.00 0.00 42.46 40.95 3eey s ILE 77 CO 0.18 0.47 1.73 1.17 0.00 0.00 0.00 174.94 178.49 3eey n LYS 78 N 4.56 3.49 -4.06 2.79 4.81 -1.26 -2.72 118.16 125.77 3eey n LYS 78 Ca -0.18 -3.60 -0.10 0.00 -0.87 0.00 0.00 58.31 53.56 3eey n LYS 78 Cb 0.50 -3.00 -0.07 0.00 0.02 0.00 0.00 35.03 32.49 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 1.77 0.00 0.47 3.14 2.15 -1.13 -4.93 116.67 118.14 3eey s ASP 79 Ca 0.42 -1.07 -0.21 0.00 0.43 0.00 0.00 52.55 52.11 3eey s ASP 79 Cb 0.05 0.53 -0.08 0.00 -0.30 0.00 0.00 42.92 43.12 3eey s ASP 79 CO 0.00 -1.06 1.05 -0.83 -0.17 0.00 0.00 175.17 174.16 3eey s GLY 80 N -3.06 2.58 0.45 2.66 0.00 -1.26 -3.49 107.32 105.20 3eey s GLY 80 Ca 0.27 0.66 0.30 0.00 0.00 0.00 0.00 44.72 45.96 3eey s GLY 80 CO 0.10 1.02 1.90 1.12 0.00 0.00 0.00 173.10 177.24 3eey h HIS 81 N 1.77 0.00 0.00 1.90 2.07 -1.92 -1.54 115.15 117.43 3eey h HIS 81 Ca -0.49 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.03 3eey h HIS 81 Cb 1.22 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.20 3eey h HIS 81 CO 0.56 0.00 0.00 -0.56 -3.07 0.00 0.00 177.93 174.86 3eey h GLN 82 N 0.00 0.00 -0.53 5.12 -0.00 -1.91 -2.60 115.11 115.19 3eey h GLN 82 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 58.65 58.53 3eey h GLN 82 Cb 0.44 0.00 -0.07 0.00 -0.00 0.00 0.00 27.48 27.85 3eey h GLN 82 CO 0.00 0.00 0.11 0.09 -0.00 0.00 0.00 178.83 179.03 3eey n ASN 83 N -3.03 4.39 0.23 0.06 3.02 -0.58 -4.61 115.26 114.74 3eey n ASN 83 Ca -0.01 -3.20 0.06 0.00 -0.03 0.00 0.00 54.58 51.40 3eey n ASN 83 Cb 0.18 -0.67 0.52 0.00 -0.61 0.00 0.00 39.78 39.20 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 2.38 0.00 0.00 3.52 -0.00 -1.58 -2.71 114.93 116.54 3eey h MET 84 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.85 3eey h MET 84 Cb 1.95 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.55 3eey h MET 84 CO 0.52 0.18 0.00 0.38 -0.00 0.00 0.00 176.91 177.98 3eey h ASP 85 N 0.00 0.00 1.51 -0.10 2.03 -1.83 -2.12 116.42 115.90 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 0.32 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.82 3eey h ASP 85 CO 0.02 0.00 0.00 0.11 -1.03 0.00 0.00 179.24 178.34 3eey h LYS 86 N 0.00 0.00 0.00 4.15 1.57 -1.86 -3.34 116.57 117.09 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 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 3eey h LYS 86 CO 0.00 0.00 -0.33 0.66 -0.57 0.00 0.00 179.45 179.21 3eey n TYR 87 N -2.83 0.00 -4.53 -1.35 4.01 -0.83 -4.99 117.16 106.64 3eey n TYR 87 Ca 0.03 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.54 3eey n TYR 87 Cb 0.42 -0.01 -0.16 0.00 -0.31 0.00 0.00 39.34 39.28 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 -1.48 1.02 0.00 -0.72 1.01 -1.00 -5.02 121.20 115.01 3eey s ILE 88 Ca 0.01 -0.45 0.00 0.00 0.00 0.00 0.00 60.65 60.21 3eey s ILE 88 Cb 0.03 -0.92 0.00 0.00 0.01 0.00 0.00 42.46 41.58 3eey s ILE 88 CO 0.14 0.32 0.00 -0.90 0.00 0.00 0.00 174.94 174.50 3eey n ASP 89 N 3.55 2.35 -4.86 3.58 5.75 -1.26 -4.64 116.55 121.01 3eey n ASP 89 Ca -0.21 -0.07 -0.31 0.00 -0.01 0.00 0.00 54.79 54.19 3eey n ASP 89 Cb 0.53 0.62 -0.02 0.00 -1.03 0.00 0.00 41.12 41.21 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 -4.23 4.22 0.08 0.00 0.02 -1.26 -4.97 135.00 128.86 3eey s PRO 91 Ca 0.55 2.36 0.03 0.00 0.02 0.00 0.00 61.00 63.97 3eey s PRO 91 Cb -0.10 -3.01 -0.04 0.00 0.02 0.00 0.00 34.50 31.37 3eey s PRO 91 CO 0.36 -0.36 0.06 0.14 -0.33 0.00 0.00 177.00 176.88 3eey s VAL 92 N -1.14 4.43 -0.08 3.83 -7.23 0.62 -4.68 120.40 116.15 3eey s VAL 92 Ca 0.51 -0.81 -0.22 0.00 -1.81 0.00 0.00 61.98 59.65 3eey s VAL 92 Cb -0.43 -3.13 -0.29 0.00 0.56 0.00 0.00 36.38 33.10 3eey s VAL 92 CO 0.57 0.13 0.79 0.50 -0.31 0.00 0.00 175.10 176.78 3eey h LYS 93 N 3.34 0.22 -3.58 4.82 1.63 -1.10 0.15 116.57 122.05 3eey h LYS 93 Ca -0.47 -0.37 -0.17 0.00 -0.85 0.00 0.00 60.65 58.80 3eey h LYS 93 Cb 1.16 0.14 -0.23 0.00 -0.60 0.00 0.00 32.23 32.71 3eey h LYS 93 CO 0.65 1.18 -0.56 0.00 -3.45 0.00 0.00 179.45 177.27 3eey s ALA 94 N -2.39 -0.23 -0.06 5.00 0.00 -1.25 -0.96 121.76 121.86 3eey s ALA 94 Ca -0.16 -0.08 0.01 0.00 0.00 0.00 0.00 51.96 51.73 3eey s ALA 94 Cb 0.01 0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.17 3eey s ALA 94 CO 0.78 -0.15 -0.06 0.08 0.00 0.00 0.00 175.76 176.40 3eey s VAL 95 N -0.96 0.71 -0.22 0.00 1.01 -0.64 -0.26 120.40 120.06 3eey s VAL 95 Ca -0.10 -0.21 -0.04 0.00 0.00 0.00 0.00 61.98 61.62 3eey s VAL 95 Cb -0.06 -0.71 -0.01 0.00 0.00 0.00 0.00 36.38 35.59 3eey s VAL 95 CO 0.01 0.27 -0.02 -0.04 0.00 0.00 0.00 175.10 175.31 3eey s MET 96 N 0.96 3.47 -0.09 2.72 -1.94 -0.24 -1.56 119.30 122.61 3eey s MET 96 Ca -0.10 -0.58 -0.02 0.00 -1.71 0.00 0.00 55.69 53.28 3eey s MET 96 Cb -0.14 -3.05 -0.03 0.00 2.01 0.00 0.00 34.83 33.61 3eey s MET 96 CO 0.00 -0.13 -0.02 -0.06 -0.01 0.00 0.00 175.02 174.80 3eey s PHE 97 N 1.34 3.08 -0.35 -0.03 0.08 0.70 -1.78 117.98 121.02 3eey s PHE 97 Ca 0.04 0.08 -0.00 0.00 0.12 0.00 0.00 56.93 57.16 3eey s PHE 97 Cb -0.14 -1.80 0.12 0.00 -0.57 0.00 0.00 43.02 40.63 3eey s PHE 97 CO -0.01 0.35 0.17 1.21 -0.10 0.00 0.00 175.22 176.85 3eey s ASN 98 N -0.66 3.57 -0.10 1.36 3.84 -1.26 -1.51 114.94 120.18 3eey s ASN 98 Ca 0.10 -2.00 -0.25 0.00 0.21 0.00 0.00 52.86 50.92 3eey s ASN 98 Cb -0.12 -0.71 -0.03 0.00 -0.55 0.00 0.00 41.25 39.85 3eey s ASN 98 CO 0.02 -0.35 0.80 -0.76 -2.79 0.00 0.00 177.10 174.02 3eey s LEU 99 N 1.20 4.27 0.00 3.21 1.43 0.02 -4.90 118.68 123.90 3eey s LEU 99 Ca 0.14 1.26 0.00 0.00 -1.03 0.00 0.00 54.13 54.50 3eey s LEU 99 Cb -0.21 -3.23 0.00 0.00 0.03 0.00 0.00 46.19 42.79 3eey s LEU 99 CO -0.13 -0.26 0.00 0.61 0.23 0.00 0.00 176.35 176.80 3eey n GLY 100 N 3.22 0.36 0.00 -3.19 0.00 -1.26 -2.81 105.19 101.52 3eey n GLY 100 Ca 0.02 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.76 3eey n GLY 100 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3eey n TYR 101 N 5.67 0.00 -3.66 1.61 4.11 -1.26 -2.64 117.16 120.99 3eey n TYR 101 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 57.90 57.69 3eey n TYR 101 Cb 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 39.34 39.16 3eey n TYR 101 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.86 175.69 3eey s LEU 102 N 0.00 0.16 0.39 -3.48 2.96 -1.23 -4.95 118.68 112.52 3eey s LEU 102 Ca 0.00 0.02 -0.25 0.00 -0.22 0.00 0.00 54.13 53.67 3eey s LEU 102 Cb 0.00 -0.15 -0.09 0.00 0.50 0.00 0.00 46.19 46.45 3eey s LEU 102 CO 0.00 -0.26 1.15 -2.16 -1.32 0.00 0.00 176.35 173.76 3eey s PRO 103 N 2.17 4.13 -1.48 0.98 0.04 -1.26 -3.55 135.00 136.02 3eey s PRO 103 Ca 0.05 1.80 -0.12 0.00 0.04 0.00 0.00 61.00 62.77 3eey s PRO 103 Cb -0.12 -2.71 0.07 0.00 0.04 0.00 0.00 34.50 31.77 3eey s PRO 103 CO -0.04 -0.25 0.87 0.43 0.04 0.00 0.00 177.00 178.06 3eey n SER 104 N 0.17 -4.94 0.00 6.66 7.64 -1.26 -4.82 113.62 117.07 3eey n SER 104 Ca 0.04 -0.63 0.00 0.00 1.01 0.00 0.00 58.87 59.29 3eey n SER 104 Cb 0.47 -3.96 0.00 0.00 -1.01 0.00 0.00 64.21 59.71 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 -1.61 0.80 2.84 0.23 0.00 -1.23 -5.13 105.19 101.09 3eey n GLY 105 Ca 0.01 0.16 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 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 1.62 2.78 0.14 1.61 -1.08 -1.23 -5.02 116.67 115.49 3eey s ASP 106 Ca 0.00 -0.67 0.18 0.00 -0.52 0.00 0.00 52.55 51.54 3eey s ASP 106 Cb 0.00 -0.80 -0.06 0.00 -1.46 0.00 0.00 42.92 40.60 3eey s ASP 106 CO 0.00 -0.22 0.99 0.45 0.52 0.00 0.00 175.17 176.91 3eey h HIS 107 N 8.16 0.00 -0.01 -5.34 3.86 -1.98 -3.28 115.15 116.56 3eey h HIS 107 Ca -0.21 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 58.84 3eey h HIS 107 Cb 1.11 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.56 3eey h HIS 107 CO 0.42 0.39 -0.70 0.66 0.86 0.00 0.00 177.93 179.56 3eey h SER 108 N 0.00 0.10 -3.66 2.45 4.64 -1.95 -3.43 113.55 111.70 3eey h SER 108 Ca -0.09 -0.07 -0.62 0.00 -0.47 0.00 0.00 61.79 60.53 3eey h SER 108 Cb 1.38 -0.03 -0.14 0.00 -0.31 0.00 0.00 62.40 63.30 3eey h SER 108 CO 0.03 0.77 -0.33 -0.51 -0.87 0.00 0.00 176.83 175.93 3eey s ILE 109 N -3.47 5.24 0.36 0.95 -1.16 -1.26 -5.05 121.20 116.81 3eey s ILE 109 Ca -0.02 0.46 -0.06 0.00 -0.51 0.00 0.00 60.65 60.52 3eey s ILE 109 Cb 0.12 -3.64 0.02 0.00 0.61 0.00 0.00 42.46 39.57 3eey s ILE 109 CO 0.79 0.23 0.55 -0.94 -2.81 0.00 0.00 174.94 172.77 3eey s SER 110 N 1.39 0.72 0.40 4.50 1.04 -1.26 -4.46 113.70 116.04 3eey s SER 110 Ca 0.13 -1.41 -0.26 0.00 0.48 0.00 0.00 55.95 54.89 3eey s SER 110 Cb -0.15 0.71 -0.09 0.00 0.10 0.00 0.00 66.02 66.59 3eey s SER 110 CO 0.08 -1.40 1.30 0.42 0.98 0.00 0.00 173.24 174.63 3eey s THR 111 N -2.86 2.64 0.01 2.02 -4.23 -1.08 -5.01 115.64 107.12 3eey s THR 111 Ca 0.27 0.57 0.02 0.00 -1.18 0.00 0.00 61.69 61.37 3eey s THR 111 Cb -0.02 -3.34 -0.04 0.00 1.34 0.00 0.00 72.50 70.45 3eey s THR 111 CO 0.18 0.08 -0.01 -0.13 -0.54 0.00 0.00 174.62 174.20 3eey s ARG 112 N -2.24 2.70 0.20 3.99 0.52 -1.26 -4.83 118.95 118.03 3eey s ARG 112 Ca 0.57 -0.67 -0.11 0.00 -0.52 0.00 0.00 55.73 55.00 3eey s ARG 112 Cb -0.38 -2.61 0.17 0.00 0.52 0.00 0.00 34.95 32.65 3eey s ARG 112 CO 0.49 0.61 1.85 -1.35 0.02 0.00 0.00 175.30 176.91 3eey h PRO 113 N 4.24 0.82 -0.57 3.54 0.11 -1.92 -1.03 132.00 137.19 3eey h PRO 113 Ca -0.49 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.56 3eey h PRO 113 Cb 1.17 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 32.07 3eey h PRO 113 CO 0.57 0.54 0.29 0.93 -0.21 0.00 0.00 178.00 180.12 3eey h GLU 114 N 0.85 0.81 0.02 1.05 3.07 -1.99 -0.84 114.58 117.55 3eey h GLU 114 Ca 0.27 -0.11 -0.22 0.00 -0.50 0.00 0.00 59.36 58.80 3eey h GLU 114 Cb -0.00 -0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 27.75 3eey h GLU 114 CO -0.10 0.64 -0.97 1.79 -1.40 0.00 0.00 179.01 178.97 3eey h THR 115 N 0.77 1.46 -0.30 1.13 1.35 -1.96 -2.38 112.91 112.97 3eey h THR 115 Ca 0.20 -2.64 -0.02 0.00 -0.55 0.00 0.00 66.41 63.40 3eey h THR 115 Cb 0.09 2.53 -0.01 0.00 -1.73 0.00 0.00 68.15 69.03 3eey h THR 115 CO -0.03 0.78 0.09 0.74 -0.25 0.00 0.00 175.52 176.85 3eey h THR 116 N 0.15 1.20 -0.74 6.82 2.02 -1.02 0.25 112.91 121.60 3eey h THR 116 Ca -0.07 -0.66 -0.06 0.00 0.77 0.00 0.00 66.41 66.39 3eey h THR 116 Cb 1.62 1.07 -0.03 0.00 -1.74 0.00 0.00 68.15 69.06 3eey h THR 116 CO 0.16 0.22 0.22 0.40 0.37 0.00 0.00 175.52 176.88 3eey h ILE 117 N 0.33 1.26 0.38 3.11 2.04 -1.19 0.71 117.51 124.15 3eey h ILE 117 Ca 0.10 -0.93 -0.01 0.00 1.00 0.00 0.00 64.86 65.02 3eey h ILE 117 Cb 0.25 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 3eey h ILE 117 CO -0.00 0.36 -0.33 1.56 0.00 0.00 0.00 178.15 179.74 3eey h GLN 118 N 1.10 -0.70 -0.95 2.37 4.20 -1.30 -1.88 115.11 117.96 3eey h GLN 118 Ca 0.24 0.05 0.11 0.00 0.06 0.00 0.00 58.65 59.10 3eey h GLN 118 Cb 0.33 0.16 -0.08 0.00 0.30 0.00 0.00 27.48 28.19 3eey h GLN 118 CO -0.00 -0.47 0.58 0.00 -0.67 0.00 0.00 178.83 178.27 3eey h ALA 119 N -0.25 1.40 -0.79 3.87 0.00 -0.64 -0.93 119.26 121.92 3eey h ALA 119 Ca -0.03 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3eey h ALA 119 Cb 0.64 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 3eey h ALA 119 CO -0.04 0.20 0.32 -0.07 0.00 0.00 0.00 179.25 179.66 3eey h LEU 120 N 0.94 1.08 -0.62 0.00 3.38 -0.76 0.24 115.31 119.58 3eey h LEU 120 Ca 0.46 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 58.16 3eey h LEU 120 Cb 0.43 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3eey h LEU 120 CO -0.26 0.96 -0.06 0.28 0.09 0.00 0.00 178.44 179.46 3eey h SER 121 N 1.14 1.02 -0.36 -0.43 0.02 -0.47 0.11 113.55 114.59 3eey h SER 121 Ca 0.26 -0.31 -0.06 0.00 -0.84 0.00 0.00 61.79 60.84 3eey h SER 121 Cb 0.21 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 3eey h SER 121 CO -0.02 1.10 0.00 0.11 -1.14 0.00 0.00 176.83 176.88 3eey h LYS 122 N 0.93 0.63 -0.77 3.45 1.79 -0.89 -1.71 116.57 120.00 3eey h LYS 122 Ca 0.15 -0.20 -0.03 0.00 -2.18 0.00 0.00 60.65 58.40 3eey h LYS 122 Cb 0.61 -0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 31.17 3eey h LYS 122 CO 0.04 0.74 0.38 0.00 -1.08 0.00 0.00 179.45 179.53 3eey h ALA 123 N 0.86 1.21 -0.05 3.86 0.00 -0.44 -1.17 119.26 123.53 3eey h ALA 123 Ca 0.10 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 3eey h ALA 123 Cb 0.46 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3eey h ALA 123 CO 0.02 0.61 -0.40 0.52 0.00 0.00 0.00 179.25 179.99 3eey h MET 124 N 1.10 0.11 -0.10 0.00 2.86 -0.63 -2.24 114.93 116.02 3eey h MET 124 Ca 0.27 -0.05 -0.14 0.00 -2.06 0.00 0.00 59.70 57.72 3eey h MET 124 Cb 0.10 -0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.76 3eey h MET 124 CO -0.04 0.50 -0.49 0.93 1.06 0.00 0.00 176.91 178.88 3eey h GLU 125 N 0.10 0.51 0.00 1.72 5.08 -1.08 -3.30 114.58 117.61 3eey h GLU 125 Ca 0.01 -0.41 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 3eey h GLU 125 Cb 0.76 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.09 3eey h GLU 125 CO 0.06 1.04 0.00 -0.07 -1.00 0.00 0.00 179.01 179.04 3eey h LEU 126 N 0.11 0.00 -9.74 1.33 3.38 -1.12 -3.45 115.31 105.82 3eey h LEU 126 Ca -0.03 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.41 3eey h LEU 126 Cb 1.13 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.93 3eey h LEU 126 CO 0.10 0.00 0.70 -0.76 0.09 0.00 0.00 178.44 178.58 3eey s LEU 127 N -5.31 4.40 0.56 1.67 1.43 -0.85 -0.28 118.68 120.31 3eey s LEU 127 Ca 0.03 2.58 -0.17 0.00 -1.03 0.00 0.00 54.13 55.54 3eey s LEU 127 Cb 0.09 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.64 3eey s LEU 127 CO 0.48 -0.62 1.06 0.54 0.23 0.00 0.00 176.35 178.05 3eey s VAL 128 N -0.13 3.74 0.25 -1.59 0.11 0.04 -4.78 120.40 118.05 3eey s VAL 128 Ca 0.57 0.91 -0.31 0.00 -2.93 0.00 0.00 61.98 60.22 3eey s VAL 128 Cb -0.40 -3.39 -0.12 0.00 -1.53 0.00 0.00 36.38 30.95 3eey s VAL 128 CO 0.43 -0.40 1.65 0.42 -3.33 0.00 0.00 175.10 173.87 3eey s THR 129 N -2.26 2.05 0.00 5.04 -4.23 -1.26 -1.06 115.64 113.92 3eey s THR 129 Ca 0.65 0.04 0.00 0.00 -1.18 0.00 0.00 61.69 61.20 3eey s THR 129 Cb -0.17 -3.02 0.00 0.00 1.34 0.00 0.00 72.50 70.65 3eey s THR 129 CO 0.31 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.01 3eey n GLY 130 N 3.01 0.48 3.95 3.99 0.00 -0.90 -5.06 105.19 110.66 3eey n GLY 130 Ca 0.12 -0.61 -0.23 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.56 1.61 -0.01 -0.02 0.00 -0.22 -4.95 107.32 101.17 3eey s GLY 131 Ca 0.00 -1.03 0.03 0.00 0.00 0.00 0.00 44.72 43.72 3eey s GLY 131 CO 0.00 -0.83 -0.10 -1.50 0.00 0.00 0.00 173.10 170.67 3eey s ILE 132 N -2.67 0.82 -0.12 0.90 1.10 -0.14 -3.17 121.20 117.93 3eey s ILE 132 Ca 0.51 -0.45 0.01 0.00 -0.51 0.00 0.00 60.65 60.21 3eey s ILE 132 Cb -0.10 -0.69 -0.01 0.00 0.15 0.00 0.00 42.46 41.81 3eey s ILE 132 CO 0.39 0.23 -0.16 -0.63 -2.11 0.00 0.00 174.94 172.66 3eey s ILE 133 N -0.25 2.80 -0.10 2.00 1.01 -0.22 -1.61 121.20 124.82 3eey s ILE 133 Ca 0.04 -0.76 0.01 0.00 0.00 0.00 0.00 60.65 59.94 3eey s ILE 133 Cb -0.04 -2.15 -0.02 0.00 0.01 0.00 0.00 42.46 40.26 3eey s ILE 133 CO -0.00 0.54 -0.14 0.42 0.00 0.00 0.00 174.94 175.76 3eey s THR 134 N 0.28 3.05 -0.21 2.92 -4.23 -0.60 -0.94 115.64 115.91 3eey s THR 134 Ca -0.11 -0.68 0.01 0.00 -1.18 0.00 0.00 61.69 59.72 3eey s THR 134 Cb -0.16 -2.25 0.05 0.00 1.34 0.00 0.00 72.50 71.48 3eey s THR 134 CO 0.06 0.55 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.91 3eey s VAL 135 N -0.01 1.64 -0.34 2.29 1.01 0.10 -0.21 120.40 124.87 3eey s VAL 135 Ca -0.04 -1.12 -0.17 0.00 0.00 0.00 0.00 61.98 60.65 3eey s VAL 135 Cb -0.14 -1.78 -0.01 0.00 0.00 0.00 0.00 36.38 34.45 3eey s VAL 135 CO 0.04 0.06 0.45 -0.69 0.00 0.00 0.00 175.10 174.96 3eey s VAL 136 N 1.38 5.09 -0.34 2.92 1.01 -0.57 -0.40 120.40 129.48 3eey s VAL 136 Ca -0.03 0.23 -0.13 0.00 0.00 0.00 0.00 61.98 62.05 3eey s VAL 136 Cb -0.17 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 32.29 3eey s VAL 136 CO -0.07 -0.15 0.24 -0.63 0.00 0.00 0.00 175.10 174.49 3eey s ILE 137 N 2.22 5.28 -0.15 2.22 1.01 0.66 -0.80 121.20 131.65 3eey s ILE 137 Ca 0.16 -0.21 -0.09 0.00 0.00 0.00 0.00 60.65 60.51 3eey s ILE 137 Cb -0.16 -3.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 3eey s ILE 137 CO 0.12 -0.01 0.15 -0.31 0.00 0.00 0.00 174.94 174.90 3eey s TYR 138 N 1.72 3.53 0.38 3.97 2.02 -1.12 -1.36 117.35 126.49 3eey s TYR 138 Ca 0.06 0.48 0.04 0.00 -0.37 0.00 0.00 57.07 57.28 3eey s TYR 138 Cb -0.17 -2.05 -0.04 0.00 -0.40 0.00 0.00 41.96 39.30 3eey s TYR 138 CO 0.11 0.55 0.10 1.52 -1.57 0.00 0.00 175.55 176.26 3eey s TYR 139 N -0.47 1.82 0.00 2.71 1.13 -1.26 -4.70 117.35 116.58 3eey s TYR 139 Ca 0.13 -1.17 0.00 0.00 -1.41 0.00 0.00 57.07 54.62 3eey s TYR 139 Cb -0.12 -1.19 0.00 0.00 -1.10 0.00 0.00 41.96 39.55 3eey s TYR 139 CO 0.02 -0.20 0.00 0.41 -2.51 0.00 0.00 175.55 173.27 3eey n GLY 140 N -0.82 1.87 1.20 5.49 0.00 -1.26 -4.82 105.19 106.84 3eey n GLY 140 Ca -0.05 -1.07 -0.06 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 1.78 0.69 0.08 -0.02 0.00 -1.26 -1.99 105.19 104.46 3eey n GLY 141 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 46.02 45.99 3eey n GLY 141 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3eey n ASP 142 N -0.19 -0.16 0.00 1.61 8.00 -1.26 -4.49 116.55 120.06 3eey n ASP 142 Ca -0.27 0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.56 3eey n ASP 142 Cb 0.72 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.76 3eey n ASP 142 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3eey n THR 143 N -4.25 0.00 -0.04 -3.53 -2.24 -1.26 -4.93 114.28 98.03 3eey n THR 143 Ca 0.01 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.66 3eey n THR 143 Cb 0.06 0.47 -0.11 0.00 -2.10 0.00 0.00 70.33 68.65 3eey n THR 143 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3eey h GLY 144 N 0.00 -0.02 1.03 3.38 0.00 -1.63 -3.04 103.07 102.79 3eey h GLY 144 Ca 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 47.33 47.30 3eey h GLY 144 CO 0.00 -0.01 0.36 -2.75 0.00 0.00 0.00 176.54 174.14 3eey h PHE 145 N -0.79 1.17 -0.05 5.60 3.04 -1.79 -1.07 116.94 123.06 3eey h PHE 145 Ca -0.00 -0.07 -0.15 0.00 3.98 0.00 0.00 57.97 61.73 3eey h PHE 145 Cb 0.73 -0.36 -0.01 0.00 2.56 0.00 0.00 35.95 38.87 3eey h PHE 145 CO 0.18 0.87 -0.65 1.49 -2.02 0.00 0.00 178.31 178.17 3eey h GLU 146 N 1.14 0.19 -0.06 1.11 4.57 -1.86 -1.11 114.58 118.57 3eey h GLU 146 Ca 0.27 -0.15 -0.00 0.00 -1.18 0.00 0.00 59.36 58.30 3eey h GLU 146 Cb 0.15 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.77 3eey h GLU 146 CO -0.03 0.78 0.03 1.49 -1.18 0.00 0.00 179.01 180.10 3eey h GLU 147 N 0.14 0.09 -0.42 1.92 4.81 -1.32 -1.39 114.58 118.40 3eey h GLU 147 Ca -0.01 -0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.28 3eey h GLU 147 Cb 1.18 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 30.47 3eey h GLU 147 CO 0.10 0.18 0.01 -0.22 -0.73 0.00 0.00 179.01 178.34 3eey h LYS 148 N -0.02 0.11 -0.24 1.92 3.64 -1.03 -0.39 116.57 120.56 3eey h LYS 148 Ca 0.02 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 3eey h LYS 148 Cb 0.12 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 3eey h LYS 148 CO -0.00 0.07 0.09 0.93 -2.27 0.00 0.00 179.45 178.27 3eey h GLU 149 N 0.12 0.37 -0.19 1.90 4.39 -1.11 -1.58 114.58 118.48 3eey h GLU 149 Ca 0.21 -0.07 -0.09 0.00 0.34 0.00 0.00 59.36 59.74 3eey h GLU 149 Cb 0.30 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.89 3eey h GLU 149 CO -0.34 0.42 -0.24 0.87 -1.16 0.00 0.00 179.01 178.56 3eey h LYS 150 N 0.23 0.50 -0.55 2.33 1.57 -1.11 -0.94 116.57 118.60 3eey h LYS 150 Ca 0.08 -0.28 0.01 0.00 -1.87 0.00 0.00 60.65 58.59 3eey h LYS 150 Cb 0.20 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 3eey h LYS 150 CO -0.01 0.87 0.35 0.28 -0.57 0.00 0.00 179.45 180.38 3eey h VAL 151 N 0.15 1.11 -0.48 0.50 2.07 -1.10 -0.47 116.25 118.03 3eey h VAL 151 Ca 0.02 -0.25 -0.11 0.00 0.82 0.00 0.00 66.70 67.19 3eey h VAL 151 Cb 0.81 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 3eey h VAL 151 CO 0.06 0.13 -0.13 -0.07 0.02 0.00 0.00 177.57 177.58 3eey h LEU 152 N 0.72 0.95 -0.83 2.57 3.38 -1.28 -1.22 115.31 119.59 3eey h LEU 152 Ca 0.21 -0.36 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 3eey h LEU 152 Cb -0.05 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.40 3eey h LEU 152 CO -0.06 1.09 0.37 -0.08 0.09 0.00 0.00 178.44 179.85 3eey h GLU 153 N 0.79 1.22 -0.09 1.13 4.81 -1.02 -0.28 114.58 121.14 3eey h GLU 153 Ca 0.12 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3eey h GLU 153 Cb 0.68 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 3eey h GLU 153 CO 0.05 0.96 0.05 0.35 -0.73 0.00 0.00 179.01 179.69 3eey h PHE 154 N 1.20 0.10 0.00 0.92 3.57 -0.96 -3.11 116.94 118.66 3eey h PHE 154 Ca 0.28 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.76 3eey h PHE 154 Cb 0.16 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.87 3eey h PHE 154 CO 0.02 0.06 -0.14 -0.07 -2.23 0.00 0.00 178.31 175.95 3eey h LEU 155 N 0.11 0.00 -1.83 0.59 3.38 -0.84 -1.64 115.31 115.07 3eey h LEU 155 Ca 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3eey h LEU 155 Cb -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3eey h LEU 155 CO -0.02 0.14 0.02 0.11 0.09 0.00 0.00 178.44 178.78 3eey h LYS 156 N 0.00 0.12 -0.00 1.13 1.57 -0.99 -3.04 116.57 115.36 3eey h LYS 156 Ca -0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3eey h LYS 156 Cb 0.61 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.89 3eey h LYS 156 CO 0.02 0.12 -0.29 0.41 -0.57 0.00 0.00 179.45 179.14 3eey n GLY 157 N -1.41 -1.33 3.73 3.86 0.00 -0.62 -4.92 105.19 104.50 3eey n GLY 157 Ca -0.02 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.97 2.36 0.01 1.61 1.01 -1.15 -4.90 120.40 116.37 3eey s VAL 158 Ca 0.13 0.28 -0.30 0.00 0.00 0.00 0.00 61.98 62.08 3eey s VAL 158 Cb 0.18 -3.18 -0.09 0.00 0.00 0.00 0.00 36.38 33.29 3eey s VAL 158 CO 0.62 0.03 1.98 -0.67 0.00 0.00 0.00 175.10 177.06 3eey n ASP 159 N 3.23 4.06 0.27 3.32 2.03 -1.26 -4.88 116.55 123.33 3eey n ASP 159 Ca 0.12 0.88 0.17 0.00 0.52 0.00 0.00 54.79 56.48 3eey n ASP 159 Cb 0.38 -1.51 0.66 0.00 -0.72 0.00 0.00 41.12 39.93 3eey n ASP 159 CO 0.00 0.00 0.00 0.06 -1.92 0.00 0.00 177.20 175.34 3eey h GLN 160 N 10.64 0.00 0.00 -0.67 3.07 -1.91 0.34 115.11 126.58 3eey h GLN 160 Ca -0.49 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.23 3eey h GLN 160 Cb 1.24 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.80 3eey h GLN 160 CO 0.94 0.01 -0.10 0.87 0.09 0.00 0.00 178.83 180.65 3eey h LYS 161 N 0.00 0.00 0.00 0.06 1.79 -2.02 -3.33 116.57 113.06 3eey h LYS 161 Ca -0.00 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.27 3eey h LYS 161 Cb 0.53 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.15 3eey h LYS 161 CO 0.00 0.10 -1.76 1.63 -1.08 0.00 0.00 179.45 178.34 3eey n LYS 162 N -3.18 1.70 -4.10 3.15 4.76 -0.77 -4.48 118.16 115.23 3eey n LYS 162 Ca 0.01 0.02 -0.14 0.00 -2.87 0.00 0.00 58.31 55.33 3eey n LYS 162 Cb 0.43 -1.28 -0.13 0.00 -1.84 0.00 0.00 35.03 32.22 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 -2.27 0.60 -0.27 2.13 0.08 0.04 -0.74 117.98 117.56 3eey s PHE 163 Ca -0.09 -0.35 -0.13 0.00 0.12 0.00 0.00 56.93 56.48 3eey s PHE 163 Cb 0.04 -0.37 -0.04 0.00 -0.57 0.00 0.00 43.02 42.08 3eey s PHE 163 CO 0.41 -0.05 0.28 0.42 -0.10 0.00 0.00 175.22 176.17 3eey s ILE 164 N -0.91 5.25 -0.26 0.64 1.01 0.27 -4.18 121.20 123.01 3eey s ILE 164 Ca -0.05 0.37 -0.02 0.00 0.00 0.00 0.00 60.65 60.95 3eey s ILE 164 Cb -0.07 -3.61 0.03 0.00 0.01 0.00 0.00 42.46 38.82 3eey s ILE 164 CO 0.00 0.22 -0.04 -0.69 0.00 0.00 0.00 174.94 174.43 3eey s VAL 165 N 1.78 2.90 -0.16 2.92 1.01 -1.26 -1.24 120.40 126.35 3eey s VAL 165 Ca 0.11 -1.13 0.01 0.00 0.00 0.00 0.00 61.98 60.97 3eey s VAL 165 Cb -0.16 -2.53 0.01 0.00 0.00 0.00 0.00 36.38 33.70 3eey s VAL 165 CO 0.10 0.11 -0.19 -1.58 0.00 0.00 0.00 175.10 173.54 3eey s GLN 166 N 1.30 3.07 -0.16 2.72 0.74 -0.41 -4.97 119.66 121.95 3eey s GLN 166 Ca -0.02 -0.81 -0.08 0.00 0.05 0.00 0.00 55.36 54.50 3eey s GLN 166 Cb -0.18 -2.56 -0.04 0.00 1.10 0.00 0.00 33.01 31.33 3eey s GLN 166 CO -0.03 -0.09 0.12 -0.98 -0.55 0.00 0.00 175.29 173.75 3eey s ARG 167 N 1.04 3.81 -0.10 1.67 1.04 -1.26 -0.81 118.95 124.33 3eey s ARG 167 Ca -0.01 -0.20 0.04 0.00 -1.04 0.00 0.00 55.73 54.51 3eey s ARG 167 Cb -0.14 -3.28 0.00 0.00 -2.04 0.00 0.00 34.95 29.49 3eey s ARG 167 CO -0.06 0.52 -0.23 0.99 -0.04 0.00 0.00 175.30 176.48 3eey s THR 168 N -0.28 2.02 -0.06 4.99 2.01 0.25 -5.01 115.64 119.55 3eey s THR 168 Ca 0.11 -0.99 -0.04 0.00 0.31 0.00 0.00 61.69 61.07 3eey s THR 168 Cb -0.12 -1.75 0.02 0.00 0.01 0.00 0.00 72.50 70.67 3eey s THR 168 CO 0.01 0.55 0.15 -0.62 -0.69 0.00 0.00 174.62 174.02 3eey s ASP 169 N 0.39 -0.15 -0.51 3.53 -1.08 -1.26 -2.16 116.67 115.44 3eey s ASP 169 Ca -0.18 0.31 -0.14 0.00 -0.52 0.00 0.00 52.55 52.02 3eey s ASP 169 Cb -0.18 0.27 0.12 0.00 -1.46 0.00 0.00 42.92 41.68 3eey s ASP 169 CO 0.08 -0.09 0.44 -0.36 0.52 0.00 0.00 175.17 175.77 3eey s PHE 170 N 0.49 3.30 -0.92 -5.34 0.08 -1.26 -4.95 117.98 109.38 3eey s PHE 170 Ca -0.03 -1.45 0.26 0.00 0.12 0.00 0.00 56.93 55.82 3eey s PHE 170 Cb -0.05 -3.66 0.66 0.00 -0.57 0.00 0.00 43.02 39.40 3eey s PHE 170 CO -0.02 -1.00 1.53 0.44 -0.10 0.00 0.00 175.22 176.07 3eey n ILE 171 N 5.14 0.09 0.49 0.64 -5.35 -1.26 -3.30 119.36 115.82 3eey n ILE 171 Ca -0.12 -0.06 0.10 0.00 -0.27 0.00 0.00 62.75 62.39 3eey n ILE 171 Cb 0.40 -0.03 0.14 0.00 -1.74 0.00 0.00 39.64 38.41 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 -1.65 2.93 -4.86 7.28 6.94 -1.26 -4.95 115.26 119.70 3eey n ASN 172 Ca 0.05 -1.87 -0.36 0.00 -0.02 0.00 0.00 54.58 52.38 3eey n ASN 172 Cb 0.36 -0.12 -0.06 0.00 -2.36 0.00 0.00 39.78 37.60 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 -1.46 3.77 0.58 -3.83 -0.21 -1.21 -5.11 119.66 112.20 3eey s GLN 173 Ca 0.28 0.22 0.03 0.00 0.02 0.00 0.00 55.36 55.91 3eey s GLN 173 Cb 0.18 -3.11 0.11 0.00 1.00 0.00 0.00 33.01 31.18 3eey s GLN 173 CO 0.26 0.64 0.80 0.00 -2.12 0.00 0.00 175.29 174.87 3eey n ALA 174 N 1.40 0.54 -3.57 6.09 0.00 -1.26 -4.66 120.51 119.04 3eey n ALA 174 Ca -0.12 -1.75 -0.20 0.00 0.00 0.00 0.00 53.44 51.37 3eey n ALA 174 Cb 0.53 0.37 0.07 0.00 0.00 0.00 0.00 19.45 20.41 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 -2.72 -2.65 -3.45 0.00 5.15 -1.26 -4.03 115.26 106.31 3eey n ASN 175 Ca 0.14 -0.68 -0.14 0.00 -0.60 0.00 0.00 54.58 53.30 3eey n ASN 175 Cb 0.51 -4.71 0.01 0.00 -0.53 0.00 0.00 39.78 35.06 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 -4.20 4.26 0.45 0.00 0.04 -1.26 -4.71 135.00 129.58 3eey s PRO 177 Ca 0.06 2.28 -0.24 0.00 0.04 0.00 0.00 61.00 63.14 3eey s PRO 177 Cb -0.02 -3.16 -0.09 0.00 0.04 0.00 0.00 34.50 31.27 3eey s PRO 177 CO 0.83 -0.51 1.15 -2.30 0.04 0.00 0.00 177.00 176.20 3eey n PRO 178 N 3.43 1.58 -4.26 0.56 -0.02 -1.26 -4.86 135.00 130.16 3eey n PRO 178 Ca 0.11 0.57 -0.35 0.00 -2.02 0.00 0.00 63.50 61.81 3eey n PRO 178 Cb 0.40 -2.24 -0.09 0.00 -0.02 0.00 0.00 33.50 31.55 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 -1.27 4.57 -0.21 4.25 1.01 -0.46 -4.44 121.20 124.66 3eey s ILE 179 Ca 0.64 -0.16 -0.07 0.00 0.00 0.00 0.00 60.65 61.06 3eey s ILE 179 Cb -0.51 -2.95 -0.03 0.00 0.01 0.00 0.00 42.46 38.98 3eey s ILE 179 CO 0.56 0.60 0.05 -0.22 0.00 0.00 0.00 174.94 175.93 3eey s LEU 180 N -0.95 3.56 -0.12 2.97 2.96 -0.92 -0.24 118.68 125.94 3eey s LEU 180 Ca 0.14 -0.08 -0.01 0.00 -0.22 0.00 0.00 54.13 53.96 3eey s LEU 180 Cb -0.11 -1.92 -0.02 0.00 0.50 0.00 0.00 46.19 44.63 3eey s LEU 180 CO 0.03 0.08 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.37 3eey s VAL 181 N 0.91 3.54 -0.19 1.68 1.01 0.46 -0.59 120.40 127.23 3eey s VAL 181 Ca 0.03 -0.50 -0.01 0.00 0.00 0.00 0.00 61.98 61.50 3eey s VAL 181 Cb -0.14 -2.49 0.01 0.00 0.00 0.00 0.00 36.38 33.75 3eey s VAL 181 CO 0.02 0.54 -0.14 0.00 0.00 0.00 0.00 175.10 175.52 3eey s ILE 183 N 1.27 3.79 -0.11 0.00 1.01 -0.11 -1.29 121.20 125.76 3eey s ILE 183 Ca 0.03 -0.37 0.01 0.00 0.00 0.00 0.00 60.65 60.32 3eey s ILE 183 Cb -0.14 -2.70 0.02 0.00 0.01 0.00 0.00 42.46 39.65 3eey s ILE 183 CO -0.08 0.44 -0.12 -0.70 0.00 0.00 0.00 174.94 174.49 3eey s GLU 184 N 0.95 1.87 -0.03 2.79 2.12 -0.38 -1.06 118.70 124.96 3eey s GLU 184 Ca 0.01 -0.42 -0.30 0.00 0.36 0.00 0.00 54.97 54.62 3eey s GLU 184 Cb -0.14 -1.71 -0.04 0.00 0.26 0.00 0.00 34.13 32.50 3eey s GLU 184 CO 0.01 -0.14 1.21 0.21 -0.54 0.00 0.00 175.26 176.01 3eey s LYS 185 N 1.24 4.36 0.00 4.30 2.20 -1.19 -0.56 119.74 130.09 3eey s LYS 185 Ca -0.03 1.70 0.07 0.00 -0.36 0.00 0.00 55.97 57.36 3eey s LYS 185 Cb -0.14 -3.52 0.03 0.00 -1.51 0.00 0.00 37.83 32.69 3eey s LYS 185 CO -0.04 -0.42 0.62 0.44 -0.36 0.00 0.00 175.35 175.60 3eey n ILE 186 N 4.49 0.00 -3.68 5.43 -5.35 0.08 -2.11 119.36 118.22 3eey n ILE 186 Ca 0.11 -0.46 -0.13 0.00 -0.27 0.00 0.00 62.75 61.99 3eey n ILE 186 Cb 0.46 1.12 -0.09 0.00 -1.74 0.00 0.00 39.64 39.39 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 -0.87 -0.59 0.37 7.28 0.01 -1.20 -4.98 113.70 113.73 3eey s SER 187 Ca 0.07 1.13 -0.26 0.00 1.31 0.00 0.00 55.95 58.20 3eey s SER 187 Cb 0.06 1.14 -0.09 0.00 0.21 0.00 0.00 66.02 67.34 3eey s SER 187 CO 0.14 -0.19 1.18 -1.61 0.41 0.00 0.00 173.24 173.17 3eey s GLU 188 N 0.31 4.18 0.00 12.44 0.41 -1.26 -4.89 118.70 129.89 3eey s GLU 188 Ca -0.00 1.90 0.00 0.00 -0.41 0.00 0.00 54.97 56.46 3eey s GLU 188 Cb -0.04 -2.80 0.00 0.00 -1.78 0.00 0.00 34.13 29.51 3eey s GLU 188 CO 0.01 -0.23 0.00 0.41 -0.49 0.00 0.00 175.26 174.95