#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1poc s ILE 2 N 0.00 1.85 -0.16 9.51 1.01 -1.26 -1.51 121.20 130.64 1poc s ILE 2 Ca 0.00 -0.94 -0.29 0.00 0.00 0.00 0.00 60.65 59.42 1poc s ILE 2 Cb 0.00 -1.58 -0.03 0.00 0.01 0.00 0.00 42.46 40.86 1poc s ILE 2 CO 0.00 0.52 1.61 -0.47 0.00 0.00 0.00 174.94 176.59 1poc s TYR 3 N 0.03 2.11 0.25 3.97 5.04 0.55 -4.94 117.35 124.37 1poc s TYR 3 Ca -0.07 0.47 -0.31 0.00 -2.44 0.00 0.00 57.07 54.72 1poc s TYR 3 Cb -0.14 -3.92 -0.13 0.00 0.35 0.00 0.00 41.96 38.12 1poc s TYR 3 CO 0.04 -3.14 1.49 -2.30 -1.34 0.00 0.00 175.55 170.30 1poc n PRO 4 N 7.41 2.28 0.00 4.97 -0.02 -1.26 -1.74 135.00 146.65 1poc n PRO 4 Ca 0.18 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 1poc n PRO 4 Cb 0.44 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 1poc n PRO 4 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1poc n GLY 5 N 2.28 0.55 3.20 -1.23 0.00 -1.26 -5.02 105.19 103.71 1poc n GLY 5 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 1poc n GLY 5 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1poc s THR 6 N -2.00 0.91 -0.10 2.61 -4.23 -0.71 -0.88 115.64 111.23 1poc s THR 6 Ca 0.00 -1.93 0.10 0.00 -1.18 0.00 0.00 61.69 58.68 1poc s THR 6 Cb 0.00 -1.69 -0.15 0.00 1.34 0.00 0.00 72.50 72.00 1poc s THR 6 CO 0.00 -0.78 0.27 0.18 -0.54 0.00 0.00 174.62 173.75 1poc n LEU 7 N 0.00 0.09 -0.00 4.79 4.77 -1.26 -4.70 117.00 120.69 1poc n LEU 7 Ca -0.12 -0.10 0.01 0.00 -0.03 0.00 0.00 56.01 55.77 1poc n LEU 7 Cb 0.60 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.68 1poc n LEU 7 CO 0.30 0.02 -0.20 0.79 -1.33 0.00 0.00 177.39 176.97 1poc n TRP 8 N -1.74 0.00 -2.67 -1.77 7.02 -1.26 -0.26 117.44 116.76 1poc n TRP 8 Ca -0.01 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.05 1poc n TRP 8 Cb 0.25 -0.01 -0.03 0.00 -2.42 0.00 0.00 31.31 29.09 1poc n TRP 8 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1poc n GLY 10 N 5.21 0.89 3.63 0.00 0.00 -1.26 -0.33 105.19 113.34 1poc n GLY 10 Ca 0.03 -1.97 -0.43 0.00 0.00 0.00 0.00 46.02 43.66 1poc n GLY 10 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1poc n HIS 11 N 7.45 2.21 -4.05 1.61 8.25 -0.57 -4.62 115.22 125.50 1poc n HIS 11 Ca 0.00 -0.22 0.00 0.00 -0.26 0.00 0.00 57.72 57.24 1poc n HIS 11 Cb 0.00 -2.75 0.00 0.00 1.12 0.00 0.00 29.99 28.36 1poc n HIS 11 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1poc n GLY 12 N 5.20 2.33 3.37 -1.41 0.00 -1.26 -4.57 105.19 108.84 1poc n GLY 12 Ca 0.26 -0.49 -0.11 0.00 0.00 0.00 0.00 46.02 45.68 1poc n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1poc s ASN 13 N -4.00 -0.39 -0.16 1.61 2.20 -1.26 -4.64 114.94 108.30 1poc s ASN 13 Ca 0.00 -0.15 0.15 0.00 -0.94 0.00 0.00 52.86 51.92 1poc s ASN 13 Cb 0.00 0.53 0.43 0.00 -2.00 0.00 0.00 41.25 40.21 1poc s ASN 13 CO 0.00 -0.90 1.20 2.29 -2.94 0.00 0.00 177.10 176.75 1poc n LYS 14 N -0.26 1.29 -2.68 3.55 2.85 0.64 -5.01 118.16 118.54 1poc n LYS 14 Ca -0.17 -3.01 -0.33 0.00 -1.05 0.00 0.00 58.31 53.75 1poc n LYS 14 Cb 0.64 -1.21 -0.05 0.00 -0.65 0.00 0.00 35.03 33.76 1poc n LYS 14 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1poc s SER 15 N -2.94 6.66 0.04 -5.58 0.15 -1.25 -4.98 113.70 105.81 1poc s SER 15 Ca 0.37 1.79 0.23 0.00 0.70 0.00 0.00 55.95 59.04 1poc s SER 15 Cb 0.38 -2.55 0.02 0.00 -1.71 0.00 0.00 66.02 62.16 1poc s SER 15 CO -0.09 -0.56 1.00 -1.54 1.20 0.00 0.00 173.24 173.26 1poc n SER 16 N -0.83 0.61 -3.88 5.45 3.41 -1.26 -4.95 113.62 112.18 1poc n SER 16 Ca 0.08 -0.24 -0.09 0.00 -0.26 0.00 0.00 58.87 58.36 1poc n SER 16 Cb 0.53 0.84 -0.07 0.00 -0.26 0.00 0.00 64.21 65.26 1poc n SER 16 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1poc s GLY 17 N -3.65 0.23 0.61 5.00 0.00 -1.26 -5.05 107.32 103.20 1poc s GLY 17 Ca 0.04 -0.67 0.39 0.00 0.00 0.00 0.00 44.72 44.47 1poc s GLY 17 CO 0.81 -0.75 2.22 -0.56 0.00 0.00 0.00 173.10 174.81 1poc h PRO 18 N 2.60 0.00 -0.34 2.90 0.13 -2.05 -3.05 132.00 132.19 1poc h PRO 18 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1poc h PRO 18 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1poc h PRO 18 CO 0.51 0.02 0.00 0.09 -0.23 0.00 0.00 178.00 178.39 1poc n ASN 19 N -3.19 2.89 -4.75 1.44 3.02 -1.26 -4.99 115.26 108.42 1poc n ASN 19 Ca -0.02 -1.95 -0.40 0.00 -0.03 0.00 0.00 54.58 52.18 1poc n ASN 19 Cb 0.16 -0.22 -0.06 0.00 -0.61 0.00 0.00 39.78 39.05 1poc n ASN 19 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1poc s GLU 20 N -1.00 4.81 0.14 3.52 2.02 -1.16 -5.06 118.70 121.97 1poc s GLU 20 Ca 0.24 1.46 0.07 0.00 0.02 0.00 0.00 54.97 56.75 1poc s GLU 20 Cb 0.13 -3.30 -0.04 0.00 0.10 0.00 0.00 34.13 31.02 1poc s GLU 20 CO 0.17 0.46 -0.16 -0.51 0.02 0.00 0.00 175.26 175.24 1poc s LEU 21 N -0.95 2.41 0.00 1.80 1.43 -1.26 -4.94 118.68 117.17 1poc s LEU 21 Ca 0.42 -0.82 -0.02 0.00 -1.03 0.00 0.00 54.13 52.67 1poc s LEU 21 Cb -0.25 -0.66 0.11 0.00 0.03 0.00 0.00 46.19 45.41 1poc s LEU 21 CO 0.31 -0.10 0.71 0.61 0.23 0.00 0.00 176.35 178.11 1poc n GLY 22 N 0.47 0.34 0.27 -3.19 0.00 -1.26 -4.93 105.19 96.89 1poc n GLY 22 Ca -0.15 -1.95 -0.03 0.00 0.00 0.00 0.00 46.02 43.89 1poc n GLY 22 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1poc h ARG 23 N 0.00 -0.07 -4.85 1.61 2.43 -1.74 -2.76 114.38 109.00 1poc h ARG 23 Ca -0.23 0.00 -0.72 0.00 -0.81 0.00 0.00 59.98 58.23 1poc h ARG 23 Cb 0.82 0.02 -0.12 0.00 -0.42 0.00 0.00 29.97 30.26 1poc h ARG 23 CO 0.23 -0.05 2.02 1.19 -1.51 0.00 0.00 179.97 181.86 1poc n PHE 24 N -5.43 4.35 0.24 2.20 3.72 -0.06 -4.82 117.46 117.68 1poc n PHE 24 Ca 0.06 -3.03 0.10 0.00 -0.05 0.00 0.00 57.45 54.52 1poc n PHE 24 Cb 0.33 -2.37 0.63 0.00 -0.94 0.00 0.00 39.48 37.13 1poc n PHE 24 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1poc h LYS 25 N 6.91 0.00 0.21 -1.08 2.10 -1.77 -0.56 116.57 122.38 1poc h LYS 25 Ca 0.41 0.00 -0.29 0.00 -2.00 0.00 0.00 60.65 58.77 1poc h LYS 25 Cb 0.80 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 32.16 1poc h LYS 25 CO 1.47 0.16 -1.32 0.45 -2.00 0.00 0.00 179.45 178.22 1poc h HIS 26 N 0.00 0.81 -0.26 0.07 3.86 -1.89 -2.54 115.15 115.21 1poc h HIS 26 Ca -0.00 -0.59 -0.07 0.00 -1.16 0.00 0.00 60.37 58.55 1poc h HIS 26 Cb 0.36 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.79 1poc h HIS 26 CO 0.00 1.51 -0.10 1.15 0.86 0.00 0.00 177.93 181.34 1poc h THR 27 N -0.03 1.29 -0.51 2.45 2.02 -1.82 -2.99 112.91 113.32 1poc h THR 27 Ca -0.24 -1.17 -0.05 0.00 0.77 0.00 0.00 66.41 65.73 1poc h THR 27 Cb 1.99 1.52 -0.02 0.00 -1.74 0.00 0.00 68.15 69.90 1poc h THR 27 CO 0.22 0.36 0.12 -0.78 0.37 0.00 0.00 175.52 175.82 1poc h ASP 28 N 0.25 0.72 -0.87 4.18 3.58 -1.22 -2.44 116.42 120.63 1poc h ASP 28 Ca 0.06 -0.12 -0.02 0.00 0.42 0.00 0.00 57.03 57.37 1poc h ASP 28 Cb 0.60 -0.19 -0.04 0.00 1.72 0.00 0.00 39.33 41.42 1poc h ASP 28 CO 0.03 0.71 0.48 0.00 -2.88 0.00 0.00 179.24 177.59 1poc h ALA 29 N 1.39 1.12 -0.57 -0.78 0.00 -1.39 0.99 119.26 120.02 1poc h ALA 29 Ca 0.17 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1poc h ALA 29 Cb 0.28 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1poc h ALA 29 CO -0.00 0.62 0.13 0.00 0.00 0.00 0.00 179.25 180.00 1poc h ARG 32 N 0.22 -0.04 -0.69 0.00 2.43 -0.62 0.11 114.38 115.78 1poc h ARG 32 Ca -0.09 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.02 1poc h ARG 32 Cb 1.63 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 31.16 1poc h ARG 32 CO 0.17 -0.03 0.19 1.15 -1.51 0.00 0.00 179.97 179.95 1poc h THR 33 N -0.04 1.26 -0.31 0.20 2.02 -1.47 -1.98 112.91 112.57 1poc h THR 33 Ca 0.03 -0.91 0.01 0.00 0.77 0.00 0.00 66.41 66.31 1poc h THR 33 Cb 0.08 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 1poc h THR 33 CO -0.06 0.35 0.18 -0.74 0.37 0.00 0.00 175.52 175.62 1poc h HIS 34 N 1.04 0.33 0.00 3.16 -0.00 -0.99 -2.01 115.15 116.68 1poc h HIS 34 Ca 0.22 0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.57 1poc h HIS 34 Cb 0.32 -0.11 -0.00 0.00 -0.00 0.00 0.00 27.41 27.62 1poc h HIS 34 CO 0.02 0.20 -0.17 -0.44 -0.00 0.00 0.00 177.93 177.54 1poc h ASP 35 N 0.37 0.00 -0.42 3.26 5.19 -0.46 -2.54 116.42 121.82 1poc h ASP 35 Ca 0.12 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 1poc h ASP 35 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1poc h ASP 35 CO -0.06 0.17 0.00 0.23 -3.12 0.00 0.00 179.24 176.46 1poc n MET 36 N -3.91 2.71 -1.66 3.56 2.81 -0.77 -4.95 117.12 114.91 1poc n MET 36 Ca -0.02 -1.81 -0.46 0.00 -1.81 0.00 0.00 57.70 53.60 1poc n MET 36 Cb 0.26 -1.65 -0.04 0.00 -0.71 0.00 0.00 33.22 31.08 1poc n MET 36 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1poc h PRO 38 N 5.36 0.00 -3.81 0.00 0.13 -1.92 -3.39 132.00 128.37 1poc h PRO 38 Ca -0.45 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.12 1poc h PRO 38 Cb 1.27 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 32.00 1poc h PRO 38 CO 0.84 0.07 -0.77 0.34 -0.23 0.00 0.00 178.00 178.26 1poc s ASP 39 N -6.42 3.49 0.05 1.44 -1.08 -1.26 -5.11 116.67 107.78 1poc s ASP 39 Ca -0.04 -1.15 -0.02 0.00 -0.52 0.00 0.00 52.55 50.82 1poc s ASP 39 Cb 0.15 -0.85 -0.03 0.00 -1.46 0.00 0.00 42.92 40.72 1poc s ASP 39 CO 0.60 -0.31 -0.01 0.68 0.52 0.00 0.00 175.17 176.65 1poc s VAL 40 N 1.64 0.20 -0.09 1.11 -7.23 -1.26 -2.26 120.40 112.52 1poc s VAL 40 Ca 0.00 -1.67 -0.01 0.00 -1.81 0.00 0.00 61.98 58.49 1poc s VAL 40 Cb -0.18 -1.40 0.03 0.00 0.56 0.00 0.00 36.38 35.39 1poc s VAL 40 CO -0.11 -0.92 -0.01 0.00 -0.31 0.00 0.00 175.10 173.74 1poc s MET 41 N -3.71 0.81 0.97 4.82 0.23 -0.16 -5.01 119.30 117.24 1poc s MET 41 Ca 0.05 -0.02 -0.11 0.00 -1.03 0.00 0.00 55.69 54.58 1poc s MET 41 Cb 0.06 -1.21 0.17 0.00 -1.53 0.00 0.00 34.83 32.33 1poc s MET 41 CO -0.09 -0.33 1.12 -1.12 -2.03 0.00 0.00 175.02 172.57 1poc s SER 42 N 1.91 2.54 -0.04 -1.18 0.01 -1.26 -2.27 113.70 113.40 1poc s SER 42 Ca 0.04 2.02 -0.35 0.00 1.31 0.00 0.00 55.95 58.98 1poc s SER 42 Cb -0.13 -2.50 -0.13 0.00 0.21 0.00 0.00 66.02 63.47 1poc s SER 42 CO -0.06 -3.31 1.80 0.00 0.41 0.00 0.00 173.24 172.07 1poc n ALA 43 N -4.36 0.87 -0.67 1.44 0.00 -1.26 -0.70 120.51 115.83 1poc n ALA 43 Ca 0.10 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1poc n ALA 43 Cb 0.53 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.53 1poc n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1poc n GLY 44 N 4.14 1.28 3.81 0.00 0.00 0.77 -5.02 105.19 110.17 1poc n GLY 44 Ca 0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 1poc n GLY 44 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1poc s GLU 45 N -0.14 3.29 -0.13 1.61 2.12 0.12 -4.72 118.70 120.85 1poc s GLU 45 Ca 0.00 1.12 0.02 0.00 0.36 0.00 0.00 54.97 56.47 1poc s GLU 45 Cb 0.00 -2.03 -0.00 0.00 0.26 0.00 0.00 34.13 32.36 1poc s GLU 45 CO 0.00 -0.83 -0.19 -1.12 -0.54 0.00 0.00 175.26 172.58 1poc s SER 46 N -3.06 3.40 -0.11 -1.70 0.01 -1.26 -0.91 113.70 110.07 1poc s SER 46 Ca 0.62 -0.51 -0.21 0.00 1.31 0.00 0.00 55.95 57.16 1poc s SER 46 Cb -0.15 -1.49 0.05 0.00 0.21 0.00 0.00 66.02 64.64 1poc s SER 46 CO 0.41 0.12 0.52 -0.75 0.41 0.00 0.00 173.24 173.94 1poc s LYS 47 N 0.59 0.76 -1.09 12.44 2.20 0.13 -4.92 119.74 129.86 1poc s LYS 47 Ca -0.11 0.35 0.00 0.00 -0.36 0.00 0.00 55.97 55.85 1poc s LYS 47 Cb -0.16 0.36 0.00 0.00 -1.51 0.00 0.00 37.83 36.52 1poc s LYS 47 CO 0.03 -0.18 0.00 0.72 -0.36 0.00 0.00 175.35 175.56 1poc n HIS 48 N 1.82 -1.13 -0.78 4.03 8.25 -1.26 0.77 115.22 126.92 1poc n HIS 48 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 1poc n HIS 48 Cb 0.56 -2.60 0.00 0.00 1.12 0.00 0.00 29.99 29.07 1poc n HIS 48 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1poc n GLY 49 N -0.62 0.80 3.78 -1.41 0.00 -1.26 -4.68 105.19 101.80 1poc n GLY 49 Ca -0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.66 1poc n GLY 49 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1poc s LEU 50 N 0.00 3.45 -0.07 0.99 1.43 0.23 -5.13 118.68 119.58 1poc s LEU 50 Ca 0.00 -0.58 -0.03 0.00 -1.03 0.00 0.00 54.13 52.49 1poc s LEU 50 Cb 0.00 -1.99 0.04 0.00 0.03 0.00 0.00 46.19 44.27 1poc s LEU 50 CO 0.00 -0.24 0.17 0.28 0.23 0.00 0.00 176.35 176.79 1poc s THR 51 N -2.33 -0.06 -0.46 5.49 -1.32 -1.26 0.22 115.64 115.92 1poc s THR 51 Ca 0.37 0.18 -0.28 0.00 -1.21 0.00 0.00 61.69 60.76 1poc s THR 51 Cb -0.05 -0.27 0.03 0.00 -1.51 0.00 0.00 72.50 70.70 1poc s THR 51 CO 0.24 0.07 1.06 0.21 -2.21 0.00 0.00 174.62 173.99 1poc s ASN 52 N 1.25 6.60 0.00 8.08 2.47 -0.08 -4.89 114.94 128.36 1poc s ASN 52 Ca -0.09 0.37 0.23 0.00 0.42 0.00 0.00 52.86 53.79 1poc s ASN 52 Cb -0.11 -2.51 0.49 0.00 -1.45 0.00 0.00 41.25 37.66 1poc s ASN 52 CO -0.06 -1.16 1.43 0.35 -3.72 0.00 0.00 177.10 173.94 1poc n THR 53 N 6.64 0.52 -2.13 -5.21 -2.24 -1.26 -0.16 114.28 110.43 1poc n THR 53 Ca 0.10 -0.72 -0.29 0.00 -2.27 0.00 0.00 64.05 60.87 1poc n THR 53 Cb 0.49 0.84 0.02 0.00 -2.10 0.00 0.00 70.33 69.57 1poc n THR 53 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1poc s ALA 54 N -1.48 3.16 -2.24 6.98 0.00 -1.26 -4.87 121.76 122.05 1poc s ALA 54 Ca 0.39 -0.32 0.20 0.00 0.00 0.00 0.00 51.96 52.23 1poc s ALA 54 Cb 0.22 -2.89 0.69 0.00 0.00 0.00 0.00 23.12 21.14 1poc s ALA 54 CO 0.31 -0.71 1.51 -1.13 0.00 0.00 0.00 175.76 175.74 1poc n SER 55 N -2.66 1.74 -4.34 0.00 3.41 -1.26 -3.69 113.62 106.82 1poc n SER 55 Ca 0.05 -1.75 -0.17 0.00 -0.26 0.00 0.00 58.87 56.73 1poc n SER 55 Cb 0.55 -0.13 -0.10 0.00 -0.26 0.00 0.00 64.21 64.27 1poc n SER 55 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 1poc s HIS 56 N -1.75 1.59 0.38 7.33 0.00 -1.26 -4.84 115.29 116.73 1poc s HIS 56 Ca 0.31 -0.87 -0.27 0.00 -3.00 0.00 0.00 55.06 51.23 1poc s HIS 56 Cb 0.17 -0.91 -0.09 0.00 -4.00 0.00 0.00 32.58 27.75 1poc s HIS 56 CO 0.25 0.02 1.28 0.99 -1.00 0.00 0.00 174.74 176.28 1poc s THR 57 N -3.35 2.74 -0.05 -5.38 2.01 -1.26 -4.16 115.64 106.19 1poc s THR 57 Ca 0.27 0.68 0.04 0.00 0.31 0.00 0.00 61.69 63.00 1poc s THR 57 Cb 0.05 -3.41 -0.00 0.00 0.01 0.00 0.00 72.50 69.15 1poc s THR 57 CO 0.08 0.12 -0.17 -0.13 -0.69 0.00 0.00 174.62 173.83 1poc s ARG 58 N -2.08 1.91 0.45 4.92 0.52 -0.96 -5.00 118.95 118.70 1poc s ARG 58 Ca 0.54 -0.62 0.05 0.00 -0.52 0.00 0.00 55.73 55.18 1poc s ARG 58 Cb -0.37 -1.62 -0.05 0.00 0.52 0.00 0.00 34.95 33.42 1poc s ARG 58 CO 0.49 0.22 0.03 -0.51 0.02 0.00 0.00 175.30 175.55 1poc s LEU 59 N 0.13 2.70 0.68 2.53 1.43 -1.26 -0.99 118.68 123.89 1poc s LEU 59 Ca -0.06 -1.44 -0.17 0.00 -1.03 0.00 0.00 54.13 51.43 1poc s LEU 59 Cb -0.13 -0.89 0.00 0.00 0.03 0.00 0.00 46.19 45.21 1poc s LEU 59 CO 0.03 -0.61 1.28 -1.54 0.23 0.00 0.00 176.35 175.74 1poc n SER 60 N -1.11 1.89 0.07 2.29 3.41 -0.96 -2.69 113.62 116.53 1poc n SER 60 Ca -0.09 0.79 0.02 0.00 -0.26 0.00 0.00 58.87 59.32 1poc n SER 60 Cb 0.67 -1.55 0.37 0.00 -0.26 0.00 0.00 64.21 63.44 1poc n SER 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1poc h ASP 62 N 0.34 0.78 -0.18 0.00 3.58 -1.91 0.18 116.42 119.21 1poc h ASP 62 Ca 0.07 -0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.36 1poc h ASP 62 Cb 0.31 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 41.18 1poc h ASP 62 CO 0.01 0.54 -0.49 0.00 -2.88 0.00 0.00 179.24 176.42 1poc h ASP 64 N 0.60 0.14 0.03 0.00 3.32 -1.13 -1.39 116.42 117.99 1poc h ASP 64 Ca 0.03 -0.07 -0.25 0.00 0.02 0.00 0.00 57.03 56.76 1poc h ASP 64 Cb 1.06 -0.04 0.02 0.00 0.22 0.00 0.00 39.33 40.59 1poc h ASP 64 CO 0.10 0.61 -0.98 0.44 -1.72 0.00 0.00 179.24 177.70 1poc h ASP 65 N 0.10 0.86 -0.32 6.45 3.32 -0.90 -2.30 116.42 123.63 1poc h ASP 65 Ca 0.00 -0.66 -0.08 0.00 0.02 0.00 0.00 57.03 56.31 1poc h ASP 65 Cb 0.91 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 1poc h ASP 65 CO 0.07 1.46 -0.06 0.11 -1.72 0.00 0.00 179.24 179.10 1poc h LYS 66 N 0.40 0.72 -0.56 3.56 1.57 -1.29 -2.20 116.57 118.77 1poc h LYS 66 Ca -0.11 -0.21 -0.05 0.00 -1.87 0.00 0.00 60.65 58.41 1poc h LYS 66 Cb 1.62 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.84 1poc h LYS 66 CO 0.19 0.78 0.15 0.35 -0.57 0.00 0.00 179.45 180.35 1poc h PHE 67 N 0.67 0.92 0.03 -1.35 3.57 -1.23 -0.56 116.94 118.99 1poc h PHE 67 Ca 0.12 -0.10 0.01 0.00 3.53 0.00 0.00 57.97 61.53 1poc h PHE 67 Cb 0.51 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 1poc h PHE 67 CO 0.02 0.79 -0.06 -0.92 -2.23 0.00 0.00 178.31 175.91 1poc h TYR 68 N 0.78 -0.16 -0.60 0.41 5.03 -1.05 -1.37 116.97 120.01 1poc h TYR 68 Ca 0.18 0.00 -0.08 0.00 2.58 0.00 0.00 58.73 61.41 1poc h TYR 68 Cb 0.32 0.07 -0.02 0.00 1.55 0.00 0.00 36.73 38.64 1poc h TYR 68 CO 0.02 -0.10 0.08 -0.44 -1.32 0.00 0.00 178.16 176.40 1poc h ASP 69 N -0.13 0.95 0.11 -2.11 3.32 -1.30 -1.76 116.42 115.51 1poc h ASP 69 Ca 0.01 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.84 1poc h ASP 69 Cb 0.14 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1poc h ASP 69 CO -0.04 0.96 -0.10 0.00 -1.72 0.00 0.00 179.24 178.35 1poc h LEU 71 N -0.22 0.77 -1.93 0.00 3.38 -1.11 -1.05 115.31 115.15 1poc h LEU 71 Ca 0.00 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1poc h LEU 71 Cb 0.21 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1poc h LEU 71 CO -0.02 0.61 -0.00 0.11 0.09 0.00 0.00 178.44 179.23 1poc h LYS 72 N 0.86 0.00 -0.03 1.13 1.79 -1.12 -2.49 116.57 116.71 1poc h LYS 72 Ca 0.23 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.70 1poc h LYS 72 Cb -0.01 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.64 1poc h LYS 72 CO -0.04 0.00 0.00 0.09 -1.08 0.00 0.00 179.45 178.42 1poc n ASN 73 N -3.09 2.53 -4.73 0.86 4.13 -0.71 -4.99 115.26 109.25 1poc n ASN 73 Ca -0.01 -1.76 -0.41 0.00 1.68 0.00 0.00 54.58 54.08 1poc n ASN 73 Cb 0.23 -0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.44 1poc n ASN 73 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1poc s SER 74 N -1.53 7.13 0.43 6.41 0.15 -0.47 -4.93 113.70 120.89 1poc s SER 74 Ca 0.21 2.16 0.20 0.00 0.70 0.00 0.00 55.95 59.22 1poc s SER 74 Cb 0.15 -2.60 0.95 0.00 -1.71 0.00 0.00 66.02 62.82 1poc s SER 74 CO 0.23 -0.35 1.88 0.00 1.20 0.00 0.00 173.24 176.20 1poc h ALA 75 N 5.46 1.22 -0.54 5.45 0.00 -1.90 -3.29 119.26 125.65 1poc h ALA 75 Ca -0.44 -0.25 -0.74 0.00 0.00 0.00 0.00 54.91 53.48 1poc h ALA 75 Cb 1.21 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.85 1poc h ALA 75 CO 0.75 0.35 2.48 -0.25 0.00 0.00 0.00 179.25 182.58 1poc n ASP 76 N -3.74 4.58 -0.17 0.00 8.00 -1.26 -4.82 116.55 119.13 1poc n ASP 76 Ca -0.01 -2.99 -0.04 0.00 0.71 0.00 0.00 54.79 52.46 1poc n ASP 76 Cb 0.38 -1.56 0.16 0.00 -0.02 0.00 0.00 41.12 40.08 1poc n ASP 76 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1poc h THR 77 N 3.90 1.23 -0.24 -3.53 1.03 -1.94 -1.58 112.91 111.78 1poc h THR 77 Ca 0.47 -0.82 -0.04 0.00 -0.01 0.00 0.00 66.41 66.00 1poc h THR 77 Cb 0.64 0.58 -0.01 0.00 -1.07 0.00 0.00 68.15 68.30 1poc h THR 77 CO 1.73 0.31 -0.01 0.40 -0.01 0.00 0.00 175.52 177.94 1poc h ILE 78 N 0.89 1.26 0.00 0.00 2.04 -1.93 -0.08 117.51 119.70 1poc h ILE 78 Ca 0.20 -0.92 -0.14 0.00 1.00 0.00 0.00 64.86 64.99 1poc h ILE 78 Cb 0.28 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 1poc h ILE 78 CO -0.01 0.29 -0.69 0.77 0.00 0.00 0.00 178.15 178.51 1poc h SER 79 N 0.19 0.00 0.11 1.72 4.64 -1.97 -2.56 113.55 115.68 1poc h SER 79 Ca 0.07 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.19 1poc h SER 79 Cb 0.42 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1poc h SER 79 CO 0.01 0.69 -0.73 0.28 -0.87 0.00 0.00 176.83 176.21 1poc h SER 80 N 0.00 0.63 -0.66 4.97 0.02 -1.19 -1.43 113.55 115.89 1poc h SER 80 Ca -0.01 -0.41 -0.04 0.00 -0.84 0.00 0.00 61.79 60.49 1poc h SER 80 Cb 1.28 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.60 1poc h SER 80 CO 0.09 1.16 0.24 0.22 -1.14 0.00 0.00 176.83 177.41 1poc h TYR 81 N 0.37 1.03 -0.13 3.45 3.20 -0.94 0.30 116.97 124.26 1poc h TYR 81 Ca -0.03 -0.09 -0.06 0.00 3.14 0.00 0.00 58.73 61.69 1poc h TYR 81 Cb 1.32 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 39.28 1poc h TYR 81 CO 0.06 0.82 -0.14 0.35 -1.64 0.00 0.00 178.16 177.61 1poc h PHE 82 N 0.95 0.38 -0.25 -3.82 3.57 -1.38 -1.36 116.94 115.02 1poc h PHE 82 Ca 0.22 -0.12 -0.11 0.00 3.53 0.00 0.00 57.97 61.49 1poc h PHE 82 Cb 0.24 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 1poc h PHE 82 CO 0.02 0.73 -0.31 0.28 -2.23 0.00 0.00 178.31 176.79 1poc h VAL 83 N -0.07 1.28 -0.06 1.41 2.07 -1.17 -2.02 116.25 117.69 1poc h VAL 83 Ca 0.02 -1.41 -0.02 0.00 0.82 0.00 0.00 66.70 66.12 1poc h VAL 83 Cb 0.67 1.43 -0.00 0.00 -1.52 0.00 0.00 31.29 31.86 1poc h VAL 83 CO 0.03 0.45 -0.02 1.23 0.02 0.00 0.00 177.57 179.28 1poc h GLY 84 N 1.04 0.13 1.05 2.17 0.00 -0.39 -2.09 103.07 104.99 1poc h GLY 84 Ca 0.06 -0.11 -0.08 0.00 0.00 0.00 0.00 47.33 47.19 1poc h GLY 84 CO 0.06 0.10 0.08 0.50 0.00 0.00 0.00 176.54 177.29 1poc h LYS 85 N -0.24 1.03 0.41 4.80 1.79 -1.23 -2.01 116.57 121.11 1poc h LYS 85 Ca 0.01 -0.29 -0.02 0.00 -2.18 0.00 0.00 60.65 58.18 1poc h LYS 85 Cb 0.44 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 1poc h LYS 85 CO 0.01 0.97 -0.20 0.52 -1.08 0.00 0.00 179.45 179.67 1poc h MET 86 N 0.93 -0.53 -0.12 3.15 2.86 -1.38 -1.12 114.93 118.73 1poc h MET 86 Ca 0.18 0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.83 1poc h MET 86 Cb 0.45 0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.23 1poc h MET 86 CO 0.02 -0.29 -0.02 -0.92 1.06 0.00 0.00 176.91 176.76 1poc h TYR 87 N -0.67 0.25 0.00 -0.22 3.20 -1.39 -1.71 116.97 116.44 1poc h TYR 87 Ca -0.06 -0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.73 1poc h TYR 87 Cb 0.49 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 1poc h TYR 87 CO -0.02 0.51 -1.00 0.74 -1.64 0.00 0.00 178.16 176.75 1poc h PHE 88 N -0.08 0.00 0.00 -3.82 0.04 -1.47 -3.40 116.94 108.21 1poc h PHE 88 Ca 0.03 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.72 1poc h PHE 88 Cb 0.43 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.56 1poc h PHE 88 CO 0.05 0.11 -1.31 0.09 -0.60 0.00 0.00 178.31 176.64 1poc n ASN 89 N -2.75 3.73 -0.08 2.17 3.02 -0.46 -4.64 115.26 116.25 1poc n ASN 89 Ca -0.01 -0.02 -0.07 0.00 -0.03 0.00 0.00 54.58 54.45 1poc n ASN 89 Cb 0.60 0.24 -0.13 0.00 -0.61 0.00 0.00 39.78 39.89 1poc n ASN 89 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1poc n LEU 90 N -2.42 0.00 -0.11 3.41 4.77 -0.83 -4.53 117.00 117.29 1poc n LEU 90 Ca -0.09 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.02 1poc n LEU 90 Cb 0.62 0.39 0.43 0.00 -2.33 0.00 0.00 43.42 42.53 1poc n LEU 90 CO 0.07 0.39 0.69 2.30 -1.33 0.00 0.00 177.39 179.51 1poc n ILE 91 N -2.58 0.00 -3.64 -0.08 -5.35 -0.71 -4.96 119.36 102.05 1poc n ILE 91 Ca -0.26 -0.06 -0.25 0.00 -0.27 0.00 0.00 62.75 61.91 1poc n ILE 91 Cb 1.01 0.13 0.04 0.00 -1.74 0.00 0.00 39.64 39.07 1poc n ILE 91 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1poc n ASP 92 N -1.06 -3.81 -4.92 7.28 8.00 -1.26 -5.00 116.55 115.78 1poc n ASP 92 Ca 0.10 -0.90 -0.20 0.00 0.71 0.00 0.00 54.79 54.50 1poc n ASP 92 Cb 0.32 -3.87 0.06 0.00 -0.02 0.00 0.00 41.12 37.61 1poc n ASP 92 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1poc s THR 93 N -3.56 2.42 0.05 -3.53 -1.32 -1.26 -5.13 115.64 103.31 1poc s THR 93 Ca 0.28 -0.82 -0.01 0.00 -1.21 0.00 0.00 61.69 59.93 1poc s THR 93 Cb -0.08 -2.59 -0.04 0.00 -1.51 0.00 0.00 72.50 68.27 1poc s THR 93 CO 0.83 0.00 -0.03 -0.54 -2.21 0.00 0.00 174.62 172.66 1poc s LYS 94 N -4.75 0.60 0.26 7.08 -0.14 -1.26 -4.52 119.74 117.02 1poc s LYS 94 Ca 0.61 -1.18 0.10 0.00 -1.36 0.00 0.00 55.97 54.14 1poc s LYS 94 Cb -0.07 0.17 -0.05 0.00 -1.68 0.00 0.00 37.83 36.19 1poc s LYS 94 CO 0.39 -0.10 -0.17 0.00 -0.76 0.00 0.00 175.35 174.72 1poc s TYR 96 N -2.68 2.33 -0.02 0.00 -0.85 -1.09 -0.14 117.35 114.90 1poc s TYR 96 Ca 0.28 -0.37 -0.28 0.00 -0.52 0.00 0.00 57.07 56.17 1poc s TYR 96 Cb -0.03 -1.26 0.09 0.00 0.38 0.00 0.00 41.96 41.15 1poc s TYR 96 CO 0.13 0.34 0.80 -1.59 -1.52 0.00 0.00 175.55 173.71 1poc s LYS 97 N -2.05 0.92 -0.24 -3.49 -2.85 -1.04 -0.70 119.74 110.29 1poc s LYS 97 Ca 0.14 -0.09 -0.29 0.00 -1.00 0.00 0.00 55.97 54.73 1poc s LYS 97 Cb -0.10 0.43 0.00 0.00 -2.06 0.00 0.00 37.83 36.10 1poc s LYS 97 CO 0.06 -0.35 1.19 -1.17 0.10 0.00 0.00 175.35 175.18 1poc s LEU 98 N -1.90 4.04 0.09 2.77 2.96 -1.26 -2.38 118.68 123.00 1poc s LEU 98 Ca -0.01 1.38 -0.15 0.00 -0.22 0.00 0.00 54.13 55.12 1poc s LEU 98 Cb -0.01 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 43.17 1poc s LEU 98 CO -0.03 -0.85 0.36 -0.70 -1.32 0.00 0.00 176.35 173.82 1poc s GLU 99 N 3.63 0.97 0.66 1.98 2.56 -0.70 -4.86 118.70 122.95 1poc s GLU 99 Ca 0.51 -0.65 -0.17 0.00 0.00 0.00 0.00 54.97 54.66 1poc s GLU 99 Cb -0.17 0.42 -0.00 0.00 2.00 0.00 0.00 34.13 36.38 1poc s GLU 99 CO 0.15 -0.35 1.24 -1.01 -0.56 0.00 0.00 175.26 174.73 1poc s HIS 100 N -3.38 2.14 0.13 5.30 3.76 -1.26 -0.14 115.29 121.85 1poc s HIS 100 Ca 0.01 1.53 -0.34 0.00 -0.15 0.00 0.00 55.06 56.11 1poc s HIS 100 Cb 0.01 -3.57 -0.13 0.00 1.11 0.00 0.00 32.58 30.00 1poc s HIS 100 CO -0.09 -2.65 1.64 -2.30 -0.85 0.00 0.00 174.74 170.49 1poc n PRO 101 N -2.09 2.24 -2.48 8.40 -0.02 -1.26 -4.65 135.00 135.14 1poc n PRO 101 Ca 0.15 0.81 -0.37 0.00 -2.02 0.00 0.00 63.50 62.07 1poc n PRO 101 Cb 0.49 -2.60 -0.03 0.00 -0.02 0.00 0.00 33.50 31.33 1poc n PRO 101 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1poc s VAL 102 N 1.40 3.59 0.00 -1.45 1.01 -1.26 -0.03 120.40 123.66 1poc s VAL 102 Ca 0.80 1.22 0.00 0.00 0.00 0.00 0.00 61.98 64.00 1poc s VAL 102 Cb -0.65 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.09 1poc s VAL 102 CO 0.39 0.01 0.00 0.35 0.00 0.00 0.00 175.10 175.85 1poc n THR 103 N -0.13 0.00 -3.06 3.92 -2.24 0.51 -4.85 114.28 108.44 1poc n THR 103 Ca 0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1poc n THR 103 Cb 0.49 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 1poc n THR 103 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1poc n GLY 104 N 3.00 3.03 3.77 3.38 0.00 -1.01 -4.92 105.19 112.44 1poc n GLY 104 Ca 0.00 -1.17 -0.08 0.00 0.00 0.00 0.00 46.02 44.77 1poc n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1poc n GLY 106 N -0.46 1.27 0.00 0.00 0.00 -1.17 -4.88 105.19 99.95 1poc n GLY 106 Ca -0.04 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1poc n GLY 106 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1poc n GLU 107 N -0.03 0.00 0.00 1.61 -0.58 -1.26 -4.57 120.64 115.80 1poc n GLU 107 Ca 0.05 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.79 1poc n GLU 107 Cb 0.76 0.00 0.01 0.00 -0.57 0.00 0.00 31.44 31.64 1poc n GLU 107 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1poc n ARG 108 N 0.00 0.03 0.00 3.49 5.12 -1.25 -3.33 116.66 120.72 1poc n ARG 108 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1poc n ARG 108 Cb 0.00 -1.13 0.00 0.00 -1.16 0.00 0.00 32.46 30.17 1poc n ARG 108 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 1poc n THR 109 N -0.63 0.00 -0.19 0.55 5.66 -1.24 -4.89 114.28 113.53 1poc n THR 109 Ca 0.00 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.93 1poc n THR 109 Cb 0.00 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 68.79 1poc n THR 109 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1poc n GLU 110 N 0.00 0.00 0.00 1.09 4.07 -1.21 -2.34 120.64 122.25 1poc n GLU 110 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1poc n GLU 110 Cb 0.00 -0.19 0.00 0.00 -0.06 0.00 0.00 31.44 31.19 1poc n GLU 110 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1poc n GLY 111 N 0.68 1.15 3.08 8.31 0.00 -1.26 -4.86 105.19 112.29 1poc n GLY 111 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1poc n GLY 111 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1poc s ARG 112 N 0.00 0.59 -0.46 1.61 1.70 -0.99 -5.14 118.95 116.26 1poc s ARG 112 Ca 0.00 -1.01 -0.11 0.00 -0.47 0.00 0.00 55.73 54.14 1poc s ARG 112 Cb 0.00 -0.06 0.10 0.00 -0.57 0.00 0.00 34.95 34.42 1poc s ARG 112 CO 0.00 -0.03 0.35 0.00 -1.08 0.00 0.00 175.30 174.54 1poc n LEU 114 N 5.01 0.15 -3.70 0.00 4.77 -1.26 -4.58 117.00 117.38 1poc n LEU 114 Ca -0.10 0.07 -0.29 0.00 -0.03 0.00 0.00 56.01 55.65 1poc n LEU 114 Cb 0.42 0.32 -0.09 0.00 -2.33 0.00 0.00 43.42 41.74 1poc n LEU 114 CO 0.44 0.34 0.13 1.57 -1.33 0.00 0.00 177.39 178.54 1poc n HIS 115 N -2.67 3.51 -1.70 -1.77 -0.00 -1.26 -4.99 115.22 106.34 1poc n HIS 115 Ca -0.23 -4.13 -0.31 0.00 0.46 0.00 0.00 57.72 53.52 1poc n HIS 115 Cb 0.99 -0.69 0.05 0.00 -0.12 0.00 0.00 29.99 30.22 1poc n HIS 115 CO 0.00 0.00 0.00 1.52 0.46 0.00 0.00 176.34 178.32 1poc s TYR 116 N -2.02 3.23 -0.03 1.57 -0.85 -1.26 -3.05 117.35 114.94 1poc s TYR 116 Ca 0.33 1.27 -0.01 0.00 -0.52 0.00 0.00 57.07 58.14 1poc s TYR 116 Cb 0.05 -2.92 -0.04 0.00 0.38 0.00 0.00 41.96 39.44 1poc s TYR 116 CO -0.08 -1.19 0.04 0.95 -1.52 0.00 0.00 175.55 173.75 1poc s THR 117 N -3.15 4.47 0.20 -3.49 -4.23 0.24 -4.84 115.64 104.84 1poc s THR 117 Ca 0.58 -0.40 0.10 0.00 -1.18 0.00 0.00 61.69 60.79 1poc s THR 117 Cb -0.13 -2.98 -0.04 0.00 1.34 0.00 0.00 72.50 70.68 1poc s THR 117 CO 0.54 0.44 -0.19 0.68 -0.54 0.00 0.00 174.62 175.55 1poc s VAL 118 N -1.07 2.05 -0.52 2.29 -7.23 -1.26 0.19 120.40 114.86 1poc s VAL 118 Ca 0.19 -2.09 -0.17 0.00 -1.81 0.00 0.00 61.98 58.10 1poc s VAL 118 Cb -0.12 -2.03 0.09 0.00 0.56 0.00 0.00 36.38 34.89 1poc s VAL 118 CO 0.09 -0.33 0.52 -0.62 -0.31 0.00 0.00 175.10 174.45 1poc s ASP 119 N -2.93 6.18 0.00 4.85 -1.08 0.95 -4.79 116.67 119.85 1poc s ASP 119 Ca 0.21 -1.39 0.17 0.00 -0.52 0.00 0.00 52.55 51.02 1poc s ASP 119 Cb -0.05 -2.23 0.85 0.00 -1.46 0.00 0.00 42.92 40.03 1poc s ASP 119 CO 0.09 -0.82 1.53 0.29 0.52 0.00 0.00 175.17 176.77 1poc n LYS 120 N 5.58 0.19 0.01 4.34 4.76 -1.26 -2.64 118.16 129.14 1poc n LYS 120 Ca -0.11 0.14 0.12 0.00 -2.87 0.00 0.00 58.31 55.59 1poc n LYS 120 Cb 0.43 -1.50 0.19 0.00 -1.84 0.00 0.00 35.03 32.31 1poc n LYS 120 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1poc n SER 121 N -1.33 0.57 -4.50 4.39 3.41 -1.26 -4.88 113.62 110.01 1poc n SER 121 Ca 0.07 -0.27 -0.33 0.00 -0.26 0.00 0.00 58.87 58.08 1poc n SER 121 Cb 0.15 0.34 -0.12 0.00 -0.26 0.00 0.00 64.21 64.32 1poc n SER 121 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1poc s LYS 122 N -3.03 2.90 0.64 4.33 -0.14 -1.08 -5.09 119.74 118.27 1poc s LYS 122 Ca 0.10 -0.62 -0.17 0.00 -1.36 0.00 0.00 55.97 53.92 1poc s LYS 122 Cb 0.17 -2.57 -0.04 0.00 -1.68 0.00 0.00 37.83 33.70 1poc s LYS 122 CO 0.72 0.52 0.76 -2.30 -0.76 0.00 0.00 175.35 174.30 1poc n PRO 123 N 2.64 0.59 -1.97 -1.68 -0.02 -1.26 -4.59 135.00 128.71 1poc n PRO 123 Ca -0.18 0.24 -0.39 0.00 -2.02 0.00 0.00 63.50 61.16 1poc n PRO 123 Cb 0.53 -1.99 0.01 0.00 -0.02 0.00 0.00 33.50 32.02 1poc n PRO 123 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1poc s LYS 124 N -2.71 3.74 0.01 -0.52 1.02 -1.26 -4.46 119.74 115.56 1poc s LYS 124 Ca 0.72 2.19 -0.03 0.00 0.02 0.00 0.00 55.97 58.87 1poc s LYS 124 Cb -0.39 -2.61 -0.01 0.00 -0.52 0.00 0.00 37.83 34.30 1poc s LYS 124 CO 0.51 -0.69 0.04 0.54 -0.92 0.00 0.00 175.35 174.83 1poc s VAL 125 N -1.29 0.09 0.24 3.17 0.11 0.80 -4.82 120.40 118.69 1poc s VAL 125 Ca 0.61 -0.74 -0.30 0.00 -2.93 0.00 0.00 61.98 58.62 1poc s VAL 125 Cb -0.39 -0.31 -0.09 0.00 -1.53 0.00 0.00 36.38 34.06 1poc s VAL 125 CO 0.49 -0.41 1.32 -0.31 -3.33 0.00 0.00 175.10 172.87 1poc s TYR 126 N -1.28 3.19 0.18 1.54 2.02 -1.26 -1.72 117.35 120.02 1poc s TYR 126 Ca -0.14 1.24 -0.10 0.00 -0.37 0.00 0.00 57.07 57.70 1poc s TYR 126 Cb -0.08 -3.64 -0.00 0.00 -0.40 0.00 0.00 41.96 37.83 1poc s TYR 126 CO 0.00 -1.96 0.34 -0.65 -1.57 0.00 0.00 175.55 171.71 1poc s GLN 127 N -0.54 1.23 0.06 -0.62 -0.21 -1.00 -4.91 119.66 113.67 1poc s GLN 127 Ca 0.55 -1.15 -0.08 0.00 0.02 0.00 0.00 55.36 54.70 1poc s GLN 127 Cb -0.38 0.41 -0.05 0.00 1.00 0.00 0.00 33.01 33.98 1poc s GLN 127 CO 0.42 -0.47 0.35 -1.58 -2.12 0.00 0.00 175.29 171.89 1poc s TRP 128 N -3.97 3.57 0.06 0.91 0.52 -1.26 -2.50 118.94 116.28 1poc s TRP 128 Ca 0.17 0.69 0.00 0.00 0.02 0.00 0.00 56.10 56.98 1poc s TRP 128 Cb 0.02 -2.08 -0.04 0.00 -1.15 0.00 0.00 33.47 30.23 1poc s TRP 128 CO 0.01 0.55 -0.05 -0.06 0.02 0.00 0.00 176.95 177.42 1poc s PHE 129 N -1.38 0.61 0.56 -1.98 0.08 0.80 -4.98 117.98 111.69 1poc s PHE 129 Ca 0.32 -0.87 -0.14 0.00 0.12 0.00 0.00 56.93 56.35 1poc s PHE 129 Cb -0.14 -0.40 -0.06 0.00 -0.57 0.00 0.00 43.02 41.86 1poc s PHE 129 CO 0.18 -0.25 1.00 -0.51 -0.10 0.00 0.00 175.22 175.55 1poc s ASP 130 N -2.56 6.46 0.37 1.36 1.01 -1.26 -2.13 116.67 119.91 1poc s ASP 130 Ca 0.03 1.51 0.02 0.00 0.71 0.00 0.00 52.55 54.81 1poc s ASP 130 Cb 0.02 -2.49 -0.02 0.00 1.01 0.00 0.00 42.92 41.44 1poc s ASP 130 CO -0.06 -0.70 0.55 -0.76 0.21 0.00 0.00 175.17 174.41 1poc s LEU 131 N -4.52 3.92 0.71 1.23 1.43 -1.26 -4.87 118.68 115.33 1poc s LEU 131 Ca 0.57 0.23 -0.12 0.00 -1.03 0.00 0.00 54.13 53.78 1poc s LEU 131 Cb -0.10 -3.10 0.03 0.00 0.03 0.00 0.00 46.19 43.04 1poc s LEU 131 CO 0.41 -0.43 1.09 -0.13 0.23 0.00 0.00 176.35 177.52 1poc s ARG 132 N -4.33 2.59 0.40 1.70 0.52 -1.26 -4.95 118.95 113.62 1poc s ARG 132 Ca 0.43 1.22 -0.24 0.00 -0.52 0.00 0.00 55.73 56.62 1poc s ARG 132 Cb -0.10 -1.93 -0.09 0.00 0.52 0.00 0.00 34.95 33.35 1poc s ARG 132 CO 0.35 -1.39 1.06 0.15 0.02 0.00 0.00 175.30 175.48 1poc s LYS 133 N -4.59 4.17 0.00 3.54 -0.14 -1.26 -4.80 119.74 116.66 1poc s LYS 133 Ca 0.63 1.54 0.27 0.00 -1.36 0.00 0.00 55.97 57.05 1poc s LYS 133 Cb -0.18 -2.57 0.93 0.00 -1.68 0.00 0.00 37.83 34.33 1poc s LYS 133 CO 0.50 -0.14 1.68 0.98 -0.76 0.00 0.00 175.35 177.60