#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pgz h TYR -7 N 0.00 0.43 -0.39 2.11 0.05 -2.05 -0.45 116.97 116.66 2pgz h TYR -7 Ca 0.00 0.04 0.06 0.00 0.05 0.00 0.00 58.73 58.88 2pgz h TYR -7 Cb 0.00 -0.06 -0.05 0.00 1.01 0.00 0.00 36.73 37.63 2pgz h TYR -7 CO 0.00 -0.09 0.08 -0.22 -1.05 0.00 0.00 178.16 176.88 2pgz h LYS -6 N 0.31 0.20 -0.69 4.88 1.63 -2.06 -0.89 116.57 119.95 2pgz h LYS -6 Ca 0.50 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 60.27 2pgz h LYS -6 Cb 0.92 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.47 2pgz h LYS -6 CO -0.55 0.14 0.36 -0.44 -3.45 0.00 0.00 179.45 175.51 2pgz h ASP -5 N 0.21 0.89 -0.51 4.20 3.32 -1.58 -0.10 116.42 122.84 2pgz h ASP -5 Ca 0.19 -0.11 0.03 0.00 0.02 0.00 0.00 57.03 57.15 2pgz h ASP -5 Cb 0.22 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 2pgz h ASP -5 CO -0.25 0.75 0.30 0.44 -1.72 0.00 0.00 179.24 178.76 2pgz h ASP -4 N 0.96 0.48 -0.57 6.45 3.32 -0.93 -2.24 116.42 123.89 2pgz h ASP -4 Ca 0.24 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.25 2pgz h ASP -4 Cb 0.08 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 2pgz h ASP -4 CO -0.04 0.34 0.17 0.44 -1.72 0.00 0.00 179.24 178.43 2pgz h ASP -3 N 0.60 0.83 -0.81 6.45 3.45 -0.77 -2.28 116.42 123.89 2pgz h ASP -3 Ca 0.21 -0.21 0.09 0.00 0.43 0.00 0.00 57.03 57.54 2pgz h ASP -3 Cb 0.03 -0.22 -0.07 0.00 -0.56 0.00 0.00 39.33 38.52 2pgz h ASP -3 CO -0.10 0.83 0.46 0.44 -1.57 0.00 0.00 179.24 179.30 2pgz h ASP -2 N 0.80 0.67 -0.34 6.45 3.32 -0.66 0.10 116.42 126.76 2pgz h ASP -2 Ca 0.18 0.04 -0.15 0.00 0.02 0.00 0.00 57.03 57.13 2pgz h ASP -2 Cb 0.30 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 2pgz h ASP -2 CO -0.00 0.39 -0.35 0.11 -1.72 0.00 0.00 179.24 177.67 2pgz h LYS -1 N 0.79 0.88 -0.37 3.56 1.57 -1.19 -1.73 116.57 120.08 2pgz h LYS -1 Ca 0.39 -0.44 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 2pgz h LYS -1 Cb 0.33 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 2pgz h LYS -1 CO -0.24 1.08 0.10 1.25 -0.57 0.00 0.00 179.45 181.08 2pgz h LEU 0 N 0.73 0.56 -0.61 2.94 5.85 -0.88 -2.46 115.31 121.44 2pgz h LEU 0 Ca 0.07 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.61 2pgz h LEU 0 Cb 0.92 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.76 2pgz h LEU 0 CO 0.09 0.63 0.35 0.45 -0.34 0.00 0.00 178.44 179.62 2pgz h HIS 1 N 0.45 0.64 -0.85 1.25 3.86 -0.75 -1.68 115.15 118.08 2pgz h HIS 1 Ca 0.12 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.34 2pgz h HIS 1 Cb 0.29 -0.20 -0.04 0.00 1.06 0.00 0.00 27.41 28.52 2pgz h HIS 1 CO 0.01 0.33 0.47 0.66 0.86 0.00 0.00 177.93 180.27 2pgz h SER 2 N 0.66 1.05 -0.31 2.45 4.64 -1.13 0.22 113.55 121.13 2pgz h SER 2 Ca 0.26 -0.09 -0.03 0.00 -0.47 0.00 0.00 61.79 61.46 2pgz h SER 2 Cb 0.11 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 61.93 2pgz h SER 2 CO -0.15 0.84 0.08 1.56 -0.87 0.00 0.00 176.83 178.29 2pgz h GLN 3 N 1.17 0.49 -0.61 4.77 4.20 -1.19 -1.55 115.11 122.40 2pgz h GLN 3 Ca 0.30 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.89 2pgz h GLN 3 Cb 0.01 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.70 2pgz h GLN 3 CO -0.05 0.55 0.37 0.00 -0.67 0.00 0.00 178.83 179.03 2pgz h ALA 4 N 0.92 0.77 -0.84 3.87 0.00 -0.75 -1.44 119.26 121.79 2pgz h ALA 4 Ca 0.10 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2pgz h ALA 4 Cb 0.27 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 2pgz h ALA 4 CO -0.00 0.25 0.51 -0.91 0.00 0.00 0.00 179.25 179.10 2pgz h ASN 5 N 0.82 1.01 -0.22 0.00 2.35 -0.45 -1.46 115.58 117.63 2pgz h ASN 5 Ca 0.22 -0.06 -0.10 0.00 -0.55 0.00 0.00 56.30 55.81 2pgz h ASN 5 Cb -0.02 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.09 2pgz h ASN 5 CO -0.04 0.77 -0.27 0.25 -1.65 0.00 0.00 177.43 176.49 2pgz h LEU 6 N 1.16 0.61 -0.60 1.61 5.85 -0.92 -1.35 115.31 121.68 2pgz h LEU 6 Ca 0.30 -0.50 0.01 0.00 0.84 0.00 0.00 57.88 58.53 2pgz h LEU 6 Cb -0.05 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.77 2pgz h LEU 6 CO -0.06 0.99 0.39 0.24 -0.34 0.00 0.00 178.44 179.66 2pgz h MET 7 N 0.25 0.79 -0.46 1.25 2.86 -1.13 -0.88 114.93 117.60 2pgz h MET 7 Ca 0.03 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 2pgz h MET 7 Cb 0.84 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 32.30 2pgz h MET 7 CO 0.06 0.53 0.24 -0.09 1.06 0.00 0.00 176.91 178.71 2pgz h ARG 8 N 0.81 0.65 0.01 1.72 2.43 -1.25 0.83 114.38 119.58 2pgz h ARG 8 Ca 0.22 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 2pgz h ARG 8 Cb -0.09 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.33 2pgz h ARG 8 CO -0.05 0.53 -0.03 1.25 -1.51 0.00 0.00 179.97 180.16 2pgz h LEU 9 N 0.60 -0.09 -1.04 3.80 5.85 -0.96 0.57 115.31 124.04 2pgz h LEU 9 Ca 0.16 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.87 2pgz h LEU 9 Cb 0.08 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 2pgz h LEU 9 CO -0.02 -0.05 0.33 0.11 -0.34 0.00 0.00 178.44 178.47 2pgz h LYS 10 N -0.06 1.01 0.11 1.25 1.57 -1.01 -0.39 116.57 119.05 2pgz h LYS 10 Ca 0.01 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 2pgz h LYS 10 Cb 0.07 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.20 2pgz h LYS 10 CO -0.03 0.79 -0.05 1.03 -0.57 0.00 0.00 179.45 180.62 2pgz h SER 11 N 1.00 -0.12 -1.01 0.86 0.87 -0.51 -0.53 113.55 114.11 2pgz h SER 11 Ca 0.24 -0.17 0.09 0.00 -1.23 0.00 0.00 61.79 60.72 2pgz h SER 11 Cb 0.12 0.03 -0.08 0.00 -0.44 0.00 0.00 62.40 62.03 2pgz h SER 11 CO -0.03 0.10 0.64 0.44 -0.53 0.00 0.00 176.83 177.45 2pgz h ASP 12 N -0.35 0.99 0.15 6.23 3.45 0.48 -2.73 116.42 124.64 2pgz h ASP 12 Ca -0.02 0.03 -0.29 0.00 0.43 0.00 0.00 57.03 57.19 2pgz h ASP 12 Cb 0.29 -0.18 0.03 0.00 -0.56 0.00 0.00 39.33 38.91 2pgz h ASP 12 CO 0.02 0.59 -1.21 -0.07 -1.57 0.00 0.00 179.24 177.00 2pgz h LEU 13 N 1.10 0.80 0.00 1.55 3.38 -1.03 -3.38 115.31 117.73 2pgz h LEU 13 Ca 0.46 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 57.57 2pgz h LEU 13 Cb 0.31 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2pgz h LEU 13 CO -0.22 1.59 -0.11 0.49 0.09 0.00 0.00 178.44 180.28 2pgz n PHE 14 N -3.85 0.09 1.57 1.13 3.72 -0.21 -4.27 117.46 115.63 2pgz n PHE 14 Ca -0.14 0.04 0.14 0.00 -0.05 0.00 0.00 57.45 57.44 2pgz n PHE 14 Cb 0.98 -0.23 0.65 0.00 -0.94 0.00 0.00 39.48 39.94 2pgz n PHE 14 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 2pgz n ASN 15 N -2.70 0.72 -0.80 4.37 2.04 -1.12 -2.84 115.26 114.93 2pgz n ASN 15 Ca -0.02 -1.00 0.07 0.00 -0.44 0.00 0.00 54.58 53.19 2pgz n ASN 15 Cb 0.06 -0.02 0.20 0.00 -2.53 0.00 0.00 39.78 37.49 2pgz n ASN 15 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 2pgz n ARG 16 N -0.58 2.95 0.00 -3.83 1.74 -1.05 -5.06 116.66 110.83 2pgz n ARG 16 Ca 0.18 -2.33 0.00 0.00 -0.77 0.00 0.00 57.85 54.93 2pgz n ARG 16 Cb 0.27 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.24 2pgz n ARG 16 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2pgz n SER 17 N 0.37 0.00 -3.91 0.55 7.64 -1.13 -4.97 113.62 112.17 2pgz n SER 17 Ca 0.15 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.78 2pgz n SER 17 Cb 0.58 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.61 2pgz n SER 17 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 2pgz s TYR 20 N 3.50 1.34 -2.01 1.43 5.04 -1.26 -4.98 117.35 120.42 2pgz s TYR 20 Ca 0.00 -0.60 0.24 0.00 -2.44 0.00 0.00 57.07 54.27 2pgz s TYR 20 Cb 0.00 -1.11 1.42 0.00 0.35 0.00 0.00 41.96 42.61 2pgz s TYR 20 CO 0.00 -0.42 1.91 -0.35 -1.34 0.00 0.00 175.55 175.35 2pgz n PRO 21 N 4.67 1.01 0.00 4.97 -0.04 -1.26 -4.79 135.00 139.56 2pgz n PRO 21 Ca -0.15 -0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 2pgz n PRO 21 Cb 0.50 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 2pgz n PRO 21 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2pgz n GLY 22 N 0.88 1.15 3.74 0.55 0.00 -1.26 -5.02 105.19 105.23 2pgz n GLY 22 Ca 0.18 -1.90 -0.33 0.00 0.00 0.00 0.00 46.02 43.97 2pgz n GLY 22 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2pgz s PRO 23 N -2.38 2.30 0.29 1.61 0.04 -1.26 -5.07 135.00 130.53 2pgz s PRO 23 Ca 0.00 1.48 0.03 0.00 0.04 0.00 0.00 61.00 62.55 2pgz s PRO 23 Cb 0.00 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 2pgz s PRO 23 CO 0.00 -1.66 0.15 0.95 0.04 0.00 0.00 177.00 176.48 2pgz s THR 24 N -2.36 0.34 0.50 1.26 -4.23 -0.95 -4.96 115.64 105.25 2pgz s THR 24 Ca 0.68 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 59.37 2pgz s THR 24 Cb -0.23 -2.53 0.26 0.00 1.34 0.00 0.00 72.50 71.34 2pgz s THR 24 CO 0.47 0.00 2.11 0.50 -0.54 0.00 0.00 174.62 177.16 2pgz h LYS 25 N 2.26 0.00 0.00 3.99 3.64 -1.91 -1.17 116.57 123.38 2pgz h LYS 25 Ca -0.34 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 2pgz h LYS 25 Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 2pgz h LYS 25 CO 0.53 0.06 -0.68 -0.25 -2.27 0.00 0.00 179.45 176.84 2pgz n ASP 26 N -4.36 0.61 -3.17 4.20 8.00 -1.26 -4.38 116.55 116.19 2pgz n ASP 26 Ca -0.03 -0.11 -0.20 0.00 0.71 0.00 0.00 54.79 55.17 2pgz n ASP 26 Cb 0.14 0.36 -0.04 0.00 -0.02 0.00 0.00 41.12 41.56 2pgz n ASP 26 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2pgz n ASP 27 N -1.85 0.43 -4.79 -2.24 2.03 -0.61 -5.13 116.55 104.39 2pgz n ASP 27 Ca 0.04 -2.91 -0.33 0.00 0.52 0.00 0.00 54.79 52.11 2pgz n ASP 27 Cb 0.40 -0.52 0.02 0.00 -0.72 0.00 0.00 41.12 40.30 2pgz n ASP 27 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2pgz s PRO 28 N -1.83 3.13 -0.06 -0.67 0.04 -0.54 -2.23 135.00 132.83 2pgz s PRO 28 Ca 0.37 1.30 0.06 0.00 0.04 0.00 0.00 61.00 62.77 2pgz s PRO 28 Cb 0.28 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.81 2pgz s PRO 28 CO -0.09 -0.98 -0.25 -1.17 0.04 0.00 0.00 177.00 174.55 2pgz s LEU 29 N -4.58 2.08 -0.28 -3.56 2.96 -0.03 -4.93 118.68 110.33 2pgz s LEU 29 Ca 0.65 -0.51 -0.11 0.00 -0.22 0.00 0.00 54.13 53.94 2pgz s LEU 29 Cb -0.18 -1.38 -0.04 0.00 0.50 0.00 0.00 46.19 45.09 2pgz s LEU 29 CO 0.38 0.23 0.18 -0.89 -1.32 0.00 0.00 176.35 174.93 2pgz s THR 30 N -0.10 5.12 -0.24 3.68 2.01 -1.26 -1.03 115.64 123.83 2pgz s THR 30 Ca -0.06 0.05 -0.11 0.00 0.31 0.00 0.00 61.69 61.88 2pgz s THR 30 Cb -0.14 -3.46 -0.05 0.00 0.01 0.00 0.00 72.50 68.85 2pgz s THR 30 CO 0.04 0.22 0.18 -0.69 -0.69 0.00 0.00 174.62 173.69 2pgz s VAL 31 N 1.73 5.35 -0.05 3.82 1.01 -0.37 -4.61 120.40 127.27 2pgz s VAL 31 Ca 0.07 0.21 -0.22 0.00 0.00 0.00 0.00 61.98 62.04 2pgz s VAL 31 Cb -0.16 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 2pgz s VAL 31 CO 0.10 0.34 0.64 -0.89 0.00 0.00 0.00 175.10 175.28 2pgz s THR 32 N 1.10 5.01 0.03 3.92 2.01 0.22 -1.65 115.64 126.29 2pgz s THR 32 Ca 0.08 1.32 0.08 0.00 0.31 0.00 0.00 61.69 63.48 2pgz s THR 32 Cb -0.14 -3.98 -0.03 0.00 0.01 0.00 0.00 72.50 68.37 2pgz s THR 32 CO 0.05 0.32 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.30 2pgz s LEU 33 N 0.45 2.31 -0.08 4.42 1.43 0.09 -1.48 118.68 125.81 2pgz s LEU 33 Ca 0.34 -0.51 -0.13 0.00 -1.03 0.00 0.00 54.13 52.79 2pgz s LEU 33 Cb -0.18 -1.37 0.03 0.00 0.03 0.00 0.00 46.19 44.70 2pgz s LEU 33 CO 0.17 0.27 0.33 -0.83 0.23 0.00 0.00 176.35 176.52 2pgz s GLY 34 N -1.21 -0.22 -0.04 -3.19 0.00 -0.72 -4.42 107.32 97.52 2pgz s GLY 34 Ca 0.12 0.72 0.02 0.00 0.00 0.00 0.00 44.72 45.58 2pgz s GLY 34 CO 0.03 0.56 -0.07 -1.36 0.00 0.00 0.00 173.10 172.26 2pgz s PHE 35 N -0.41 2.92 -0.33 1.90 0.08 -1.26 -0.35 117.98 120.53 2pgz s PHE 35 Ca -0.05 0.00 0.00 0.00 0.12 0.00 0.00 56.93 57.00 2pgz s PHE 35 Cb -0.03 -1.68 0.08 0.00 -0.57 0.00 0.00 43.02 40.82 2pgz s PHE 35 CO 0.02 0.34 0.04 0.99 -0.10 0.00 0.00 175.22 176.52 2pgz s THR 36 N -0.87 2.77 -0.27 0.64 2.01 -0.00 -1.04 115.64 118.89 2pgz s THR 36 Ca 0.14 -1.81 -0.24 0.00 0.31 0.00 0.00 61.69 60.09 2pgz s THR 36 Cb -0.11 -2.77 -0.00 0.00 0.01 0.00 0.00 72.50 69.62 2pgz s THR 36 CO 0.03 -0.35 0.83 -0.22 -0.69 0.00 0.00 174.62 174.23 2pgz s LEU 37 N 1.12 4.07 -0.17 4.42 2.96 -0.54 -0.57 118.68 129.98 2pgz s LEU 37 Ca 0.01 0.93 0.05 0.00 -0.22 0.00 0.00 54.13 54.90 2pgz s LEU 37 Cb -0.20 -3.18 -0.22 0.00 0.50 0.00 0.00 46.19 43.09 2pgz s LEU 37 CO -0.04 -0.57 0.16 0.00 -1.32 0.00 0.00 176.35 174.58 2pgz n GLN 38 N 6.12 0.69 -3.64 1.98 6.02 0.22 -3.53 117.38 125.23 2pgz n GLN 38 Ca 0.05 0.17 -0.10 0.00 -0.01 0.00 0.00 57.00 57.12 2pgz n GLN 38 Cb 0.48 -1.62 -0.07 0.00 1.02 0.00 0.00 30.24 30.04 2pgz n GLN 38 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2pgz s ASP 39 N -6.37 -0.54 -0.45 1.08 2.15 -0.80 -0.08 116.67 111.66 2pgz s ASP 39 Ca -0.21 1.02 -0.20 0.00 0.43 0.00 0.00 52.55 53.60 2pgz s ASP 39 Cb 0.07 1.05 0.03 0.00 -0.30 0.00 0.00 42.92 43.78 2pgz s ASP 39 CO 0.74 -0.18 0.60 -0.63 -0.17 0.00 0.00 175.17 175.53 2pgz s ILE 40 N 0.36 4.89 -0.11 4.11 1.01 -1.26 -0.66 121.20 129.53 2pgz s ILE 40 Ca 0.01 -0.09 -0.25 0.00 0.00 0.00 0.00 60.65 60.33 2pgz s ILE 40 Cb -0.05 -4.19 -0.27 0.00 0.01 0.00 0.00 42.46 37.96 2pgz s ILE 40 CO -0.05 -0.60 0.73 0.58 0.00 0.00 0.00 174.94 175.60 2pgz h VAL 41 N 5.84 1.54 -3.19 2.92 2.07 -1.41 -3.40 116.25 120.62 2pgz h VAL 41 Ca -0.26 -2.40 -0.18 0.00 0.82 0.00 0.00 66.70 64.68 2pgz h VAL 41 Cb 1.10 3.14 -0.27 0.00 -1.52 0.00 0.00 31.29 33.74 2pgz h VAL 41 CO 0.88 0.62 -0.48 -0.75 0.02 0.00 0.00 177.57 177.87 2pgz s LYS 42 N -2.33 0.23 -0.18 1.57 2.20 -1.21 -4.87 119.74 115.15 2pgz s LYS 42 Ca -0.18 0.34 0.01 0.00 -0.36 0.00 0.00 55.97 55.77 2pgz s LYS 42 Cb -0.00 0.07 0.04 0.00 -1.51 0.00 0.00 37.83 36.42 2pgz s LYS 42 CO 0.73 -0.06 -0.11 0.00 -0.36 0.00 0.00 175.35 175.56 2pgz s ALA 43 N 0.36 1.92 -0.41 3.13 0.00 -1.26 -0.93 121.76 124.56 2pgz s ALA 43 Ca -0.02 -1.10 -0.08 0.00 0.00 0.00 0.00 51.96 50.76 2pgz s ALA 43 Cb -0.03 -1.21 0.08 0.00 0.00 0.00 0.00 23.12 21.96 2pgz s ALA 43 CO -0.01 -0.70 0.25 0.34 0.00 0.00 0.00 175.76 175.63 2pgz s ASP 44 N 1.44 5.59 0.02 0.00 -1.08 0.20 -4.94 116.67 117.90 2pgz s ASP 44 Ca 0.00 -1.54 0.26 0.00 -0.52 0.00 0.00 52.55 50.76 2pgz s ASP 44 Cb -0.15 -1.97 1.10 0.00 -1.46 0.00 0.00 42.92 40.44 2pgz s ASP 44 CO -0.09 -0.53 1.84 -1.54 0.52 0.00 0.00 175.17 175.37 2pgz n SER 45 N 4.88 0.07 0.17 -0.34 3.41 -1.26 -0.74 113.62 119.82 2pgz n SER 45 Ca -0.10 0.51 0.06 0.00 -0.26 0.00 0.00 58.87 59.08 2pgz n SER 45 Cb 0.43 -0.53 0.09 0.00 -0.26 0.00 0.00 64.21 63.94 2pgz n SER 45 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2pgz h SER 46 N 0.00 0.00 0.00 4.04 4.64 -1.95 -3.36 113.55 116.91 2pgz h SER 46 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2pgz h SER 46 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 2pgz h SER 46 CO 0.00 0.34 0.00 0.35 -0.87 0.00 0.00 176.83 176.65 2pgz n THR 47 N -3.20 0.00 -3.63 2.95 -2.24 -1.17 -5.03 114.28 101.96 2pgz n THR 47 Ca 0.02 -0.38 -0.23 0.00 -2.27 0.00 0.00 64.05 61.19 2pgz n THR 47 Cb 0.66 1.09 0.04 0.00 -2.10 0.00 0.00 70.33 70.02 2pgz n THR 47 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2pgz n ASN 48 N -0.47 -3.07 -4.14 3.42 3.02 0.08 -4.93 115.26 109.17 2pgz n ASN 48 Ca 0.00 -0.86 -0.26 0.00 -0.03 0.00 0.00 54.58 53.44 2pgz n ASN 48 Cb 0.02 -4.04 -0.16 0.00 -0.61 0.00 0.00 39.78 34.99 2pgz n ASN 48 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2pgz s GLU 49 N -5.74 1.65 0.04 3.52 2.02 -1.12 -1.43 118.70 117.64 2pgz s GLU 49 Ca 0.20 -0.61 0.07 0.00 0.02 0.00 0.00 54.97 54.64 2pgz s GLU 49 Cb -0.05 -1.48 -0.02 0.00 0.10 0.00 0.00 34.13 32.67 2pgz s GLU 49 CO 0.82 0.29 -0.20 0.08 0.02 0.00 0.00 175.26 176.26 2pgz s VAL 50 N -0.12 1.62 -0.19 2.63 1.01 -0.59 -0.62 120.40 124.15 2pgz s VAL 50 Ca -0.00 -1.17 -0.02 0.00 0.00 0.00 0.00 61.98 60.79 2pgz s VAL 50 Cb -0.10 -1.41 -0.00 0.00 0.00 0.00 0.00 36.38 34.86 2pgz s VAL 50 CO 0.01 0.20 -0.10 -1.81 0.00 0.00 0.00 175.10 173.40 2pgz s ASP 51 N -1.15 3.97 0.13 3.32 1.11 -0.10 -1.37 116.67 122.58 2pgz s ASP 51 Ca 0.07 -0.43 0.07 0.00 0.18 0.00 0.00 52.55 52.45 2pgz s ASP 51 Cb -0.09 -1.65 -0.04 0.00 1.07 0.00 0.00 42.92 42.21 2pgz s ASP 51 CO 0.02 0.04 -0.08 -0.76 1.18 0.00 0.00 175.17 175.56 2pgz s LEU 52 N 1.13 3.08 -0.11 1.23 1.43 0.07 -0.96 118.68 124.54 2pgz s LEU 52 Ca 0.01 -0.42 0.03 0.00 -1.03 0.00 0.00 54.13 52.72 2pgz s LEU 52 Cb -0.14 -1.83 0.01 0.00 0.03 0.00 0.00 46.19 44.25 2pgz s LEU 52 CO -0.03 0.15 -0.22 -0.69 0.23 0.00 0.00 176.35 175.80 2pgz s VAL 53 N -1.37 1.94 0.18 -1.59 1.01 0.16 -0.61 120.40 120.11 2pgz s VAL 53 Ca 0.23 -0.93 -0.13 0.00 0.00 0.00 0.00 61.98 61.15 2pgz s VAL 53 Cb -0.10 -1.70 0.01 0.00 0.00 0.00 0.00 36.38 34.58 2pgz s VAL 53 CO 0.15 0.53 0.39 -0.72 0.00 0.00 0.00 175.10 175.44 2pgz s TYR 54 N 0.59 0.16 -0.16 5.22 -0.85 -0.84 -0.61 117.35 120.86 2pgz s TYR 54 Ca -0.13 -0.51 -0.04 0.00 -0.52 0.00 0.00 57.07 55.86 2pgz s TYR 54 Cb -0.17 0.14 -0.03 0.00 0.38 0.00 0.00 41.96 42.29 2pgz s TYR 54 CO 0.04 -0.80 -0.02 0.71 -1.52 0.00 0.00 175.55 173.95 2pgz s TYR 55 N -3.92 3.06 -0.41 -3.49 4.12 0.26 -1.11 117.35 115.86 2pgz s TYR 55 Ca 0.13 -0.23 -0.08 0.00 0.02 0.00 0.00 57.07 56.91 2pgz s TYR 55 Cb 0.01 -1.97 0.08 0.00 -1.52 0.00 0.00 41.96 38.56 2pgz s TYR 55 CO -0.02 0.01 0.23 -2.00 0.02 0.00 0.00 175.55 173.79 2pgz s GLU 56 N 0.31 2.54 -0.11 -0.62 2.12 -0.54 -0.82 118.70 121.58 2pgz s GLU 56 Ca -0.03 -1.46 -0.28 0.00 0.36 0.00 0.00 54.97 53.56 2pgz s GLU 56 Cb -0.14 -3.71 -0.02 0.00 0.26 0.00 0.00 34.13 30.53 2pgz s GLU 56 CO 0.03 -0.93 0.93 -1.14 -0.54 0.00 0.00 175.26 173.61 2pgz s GLN 57 N 1.39 4.41 -0.08 4.30 0.74 0.52 -3.21 119.66 127.73 2pgz s GLN 57 Ca 0.03 1.25 0.05 0.00 0.05 0.00 0.00 55.36 56.74 2pgz s GLN 57 Cb -0.23 -3.53 -0.01 0.00 1.10 0.00 0.00 33.01 30.35 2pgz s GLN 57 CO 0.01 -0.25 -0.24 -0.65 -0.55 0.00 0.00 175.29 173.61 2pgz s GLN 58 N 1.82 2.76 -0.01 1.67 -0.21 0.33 -1.76 119.66 124.26 2pgz s GLN 58 Ca 0.45 -0.89 0.02 0.00 0.02 0.00 0.00 55.36 54.97 2pgz s GLN 58 Cb -0.18 -2.23 -0.00 0.00 1.00 0.00 0.00 33.01 31.60 2pgz s GLN 58 CO 0.18 0.31 -0.08 1.03 -2.12 0.00 0.00 175.29 174.60 2pgz s ARG 59 N 0.03 0.74 0.28 2.91 0.52 -0.55 -1.38 118.95 121.51 2pgz s ARG 59 Ca -0.09 -0.28 -0.14 0.00 -0.52 0.00 0.00 55.73 54.70 2pgz s ARG 59 Cb -0.15 -0.71 0.01 0.00 0.52 0.00 0.00 34.95 34.61 2pgz s ARG 59 CO 0.06 0.14 0.58 1.67 0.02 0.00 0.00 175.30 177.77 2pgz s TRP 60 N -0.02 0.27 -0.07 -0.53 -2.14 -0.99 -0.61 118.94 114.86 2pgz s TRP 60 Ca 0.01 -0.68 -0.03 0.00 2.66 0.00 0.00 56.10 58.05 2pgz s TRP 60 Cb -0.05 0.37 0.04 0.00 -3.10 0.00 0.00 33.47 30.72 2pgz s TRP 60 CO -0.00 -1.14 0.15 0.21 -2.66 0.00 0.00 176.95 173.51 2pgz s LYS 61 N -3.67 0.11 -0.05 3.25 2.20 -1.26 -0.19 119.74 120.14 2pgz s LYS 61 Ca 0.20 0.36 0.04 0.00 -0.36 0.00 0.00 55.97 56.20 2pgz s LYS 61 Cb -0.03 -0.13 -0.00 0.00 -1.51 0.00 0.00 37.83 36.16 2pgz s LYS 61 CO 0.10 -0.14 -0.16 -0.51 -0.36 0.00 0.00 175.35 174.28 2pgz s LEU 62 N 1.01 1.88 0.42 5.43 1.43 -0.42 -4.95 118.68 123.48 2pgz s LEU 62 Ca -0.08 -0.34 0.08 0.00 -1.03 0.00 0.00 54.13 52.77 2pgz s LEU 62 Cb -0.10 -0.92 0.88 0.00 0.03 0.00 0.00 46.19 46.08 2pgz s LEU 62 CO -0.05 0.13 2.04 0.78 0.23 0.00 0.00 176.35 179.48 2pgz h ASN 63 N 6.35 0.38 0.38 2.29 2.35 -1.89 -2.49 115.58 122.95 2pgz h ASN 63 Ca -0.32 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.41 2pgz h ASN 63 Cb 1.18 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.45 2pgz h ASN 63 CO 0.48 0.32 0.00 -1.54 -1.65 0.00 0.00 177.43 175.04 2pgz n SER 64 N -4.45 0.25 -0.96 5.81 3.41 -1.26 -2.06 113.62 114.37 2pgz n SER 64 Ca 0.02 0.58 0.08 0.00 -0.26 0.00 0.00 58.87 59.29 2pgz n SER 64 Cb 0.10 -0.63 0.23 0.00 -0.26 0.00 0.00 64.21 63.65 2pgz n SER 64 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2pgz n LEU 65 N -1.80 3.40 -4.78 1.04 4.77 -0.94 -5.00 117.00 113.69 2pgz n LEU 65 Ca 0.02 -2.01 -0.38 0.00 -0.03 0.00 0.00 56.01 53.60 2pgz n LEU 65 Cb 0.13 -0.35 -0.06 0.00 -2.33 0.00 0.00 43.42 40.81 2pgz n LEU 65 CO 0.12 0.84 0.61 -0.04 -1.33 0.00 0.00 177.39 177.59 2pgz s MET 66 N -1.02 4.62 0.11 3.23 -1.94 -0.87 -3.87 119.30 119.55 2pgz s MET 66 Ca 0.35 1.31 -0.08 0.00 -1.71 0.00 0.00 55.69 55.55 2pgz s MET 66 Cb 0.18 -2.98 -0.01 0.00 2.01 0.00 0.00 34.83 34.03 2pgz s MET 66 CO 0.23 0.39 0.20 1.67 -0.01 0.00 0.00 175.02 177.50 2pgz s TRP 67 N -1.44 0.24 -0.36 -0.03 -2.14 -0.49 -4.95 118.94 109.77 2pgz s TRP 67 Ca 0.46 -0.66 -0.20 0.00 2.66 0.00 0.00 56.10 58.36 2pgz s TRP 67 Cb -0.21 -0.08 0.00 0.00 -3.10 0.00 0.00 33.47 30.08 2pgz s TRP 67 CO 0.26 -0.58 0.59 0.34 -2.66 0.00 0.00 176.95 174.90 2pgz s ASP 68 N -2.89 6.37 0.42 -2.66 -1.08 -1.26 -4.67 116.67 110.90 2pgz s ASP 68 Ca 0.08 0.02 0.14 0.00 -0.52 0.00 0.00 52.55 52.27 2pgz s ASP 68 Cb 0.05 -2.30 1.02 0.00 -1.46 0.00 0.00 42.92 40.22 2pgz s ASP 68 CO -0.08 -0.58 1.94 -0.65 0.52 0.00 0.00 175.17 176.33 2pgz h PRO 69 N 8.51 0.43 -0.21 4.34 0.11 -1.94 -0.57 132.00 142.67 2pgz h PRO 69 Ca -0.27 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 65.88 2pgz h PRO 69 Cb 1.11 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 2pgz h PRO 69 CO 0.82 0.29 0.18 -0.91 -0.21 0.00 0.00 178.00 178.16 2pgz h ASN 70 N 0.44 0.00 0.59 -2.05 4.21 -1.93 0.15 115.58 117.00 2pgz h ASN 70 Ca 0.33 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.84 2pgz h ASN 70 Cb 0.69 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.89 2pgz h ASN 70 CO -0.10 0.00 -0.12 -0.62 -1.29 0.00 0.00 177.43 175.30 2pgz n GLU 71 N -4.18 0.36 -2.72 0.81 1.02 -0.22 -4.12 120.64 111.59 2pgz n GLU 71 Ca 0.02 -0.09 -0.06 0.00 -0.02 0.00 0.00 57.16 57.01 2pgz n GLU 71 Cb 0.32 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 30.28 2pgz n GLU 71 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2pgz n TYR 72 N -1.24 1.35 -2.86 -0.32 4.01 -0.51 -5.00 117.16 112.59 2pgz n TYR 72 Ca 0.11 -2.45 -0.22 0.00 -0.16 0.00 0.00 57.90 55.19 2pgz n TYR 72 Cb 0.29 -0.29 0.02 0.00 -0.31 0.00 0.00 39.34 39.05 2pgz n TYR 72 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2pgz n GLY 73 N -0.38 -0.52 2.29 2.72 0.00 -1.15 -2.39 105.19 105.77 2pgz n GLY 73 Ca 0.10 0.10 -0.11 0.00 0.00 0.00 0.00 46.02 46.11 2pgz n GLY 73 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2pgz n ASN 74 N -2.38 -4.15 -4.69 1.61 4.05 0.42 -4.99 115.26 105.13 2pgz n ASN 74 Ca -0.15 0.22 -0.42 0.00 0.45 0.00 0.00 54.58 54.68 2pgz n ASN 74 Cb 0.64 -2.72 -0.03 0.00 1.23 0.00 0.00 39.78 38.90 2pgz n ASN 74 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 2pgz s ILE 75 N -2.42 3.40 -0.03 -1.44 1.01 -1.00 -4.88 121.20 115.84 2pgz s ILE 75 Ca 0.00 0.81 0.10 0.00 0.00 0.00 0.00 60.65 61.56 2pgz s ILE 75 Cb 0.00 -3.52 -0.15 0.00 0.01 0.00 0.00 42.46 38.80 2pgz s ILE 75 CO 0.00 -0.00 0.19 0.35 0.00 0.00 0.00 174.94 175.48 2pgz n THR 76 N 4.69 0.12 -3.67 2.92 -2.24 -1.26 -4.30 114.28 110.54 2pgz n THR 76 Ca 0.14 -0.27 -0.10 0.00 -2.27 0.00 0.00 64.05 61.56 2pgz n THR 76 Cb 0.42 0.07 -0.03 0.00 -2.10 0.00 0.00 70.33 68.70 2pgz n THR 76 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2pgz s ASP 77 N -3.38 -0.35 0.06 3.42 1.47 -1.26 -0.66 116.67 115.98 2pgz s ASP 77 Ca -0.04 -0.37 -0.11 0.00 1.18 0.00 0.00 52.55 53.22 2pgz s ASP 77 Cb 0.06 0.62 0.01 0.00 -0.34 0.00 0.00 42.92 43.27 2pgz s ASP 77 CO 0.42 -1.10 0.23 0.72 0.68 0.00 0.00 175.17 176.12 2pgz s PHE 78 N -3.85 0.03 -0.01 2.11 -0.12 -0.04 -4.99 117.98 111.11 2pgz s PHE 78 Ca 0.07 -0.32 -0.14 0.00 -0.05 0.00 0.00 56.93 56.50 2pgz s PHE 78 Cb -0.02 0.01 -0.06 0.00 -0.63 0.00 0.00 43.02 42.32 2pgz s PHE 78 CO -0.04 -0.50 0.38 1.03 -0.05 0.00 0.00 175.22 176.04 2pgz s ARG 79 N -3.10 3.87 -0.01 1.99 3.00 -1.26 -0.70 118.95 122.73 2pgz s ARG 79 Ca -0.01 0.35 -0.19 0.00 0.00 0.00 0.00 55.73 55.89 2pgz s ARG 79 Cb 0.01 -3.21 0.04 0.00 0.00 0.00 0.00 34.95 31.79 2pgz s ARG 79 CO -0.07 0.70 0.41 -0.08 0.00 0.00 0.00 175.30 176.25 2pgz s THR 80 N -1.09 0.04 0.31 0.02 -1.32 -0.52 -4.99 115.64 108.10 2pgz s THR 80 Ca 0.23 -0.37 -0.29 0.00 -1.21 0.00 0.00 61.69 60.05 2pgz s THR 80 Cb -0.16 -0.75 -0.12 0.00 -1.51 0.00 0.00 72.50 69.95 2pgz s THR 80 CO 0.13 -0.20 1.40 -0.24 -2.21 0.00 0.00 174.62 173.49 2pgz n SER 81 N 1.08 3.06 0.29 8.08 2.88 -1.26 -0.43 113.62 127.32 2pgz n SER 81 Ca -0.21 1.18 0.19 0.00 -1.33 0.00 0.00 58.87 58.71 2pgz n SER 81 Cb 0.57 -1.50 1.02 0.00 -0.75 0.00 0.00 64.21 63.55 2pgz n SER 81 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2pgz h ALA 82 N 3.46 1.03 0.00 -1.46 0.00 -1.03 -0.83 119.26 120.43 2pgz h ALA 82 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2pgz h ALA 82 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2pgz h ALA 82 CO 0.69 -0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.91 2pgz h ALA 83 N 1.93 1.00 0.00 0.00 0.00 -1.89 -3.18 119.26 117.12 2pgz h ALA 83 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2pgz h ALA 83 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2pgz h ALA 83 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 179.25 178.81 2pgz h ASP 84 N 0.00 0.00 -4.10 0.00 3.32 -1.50 -3.46 116.42 110.68 2pgz h ASP 84 Ca 0.00 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.72 2pgz h ASP 84 Cb 0.64 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.04 2pgz h ASP 84 CO 0.00 0.00 -0.68 0.27 -1.72 0.00 0.00 179.24 177.11 2pgz s ILE 85 N -3.20 0.97 0.32 0.35 -4.36 -1.20 -5.02 121.20 109.06 2pgz s ILE 85 Ca 0.08 -2.02 -0.29 0.00 -0.26 0.00 0.00 60.65 58.16 2pgz s ILE 85 Cb 0.10 -2.10 -0.10 0.00 1.25 0.00 0.00 42.46 41.61 2pgz s ILE 85 CO 0.57 -0.52 1.28 0.86 0.24 0.00 0.00 174.94 177.37 2pgz s TRP 86 N -3.46 3.12 0.06 1.37 -0.00 -1.26 -4.97 118.94 113.80 2pgz s TRP 86 Ca 0.23 1.44 0.04 0.00 -0.00 0.00 0.00 56.10 57.81 2pgz s TRP 86 Cb 0.05 -3.63 -0.03 0.00 -0.00 0.00 0.00 33.47 29.86 2pgz s TRP 86 CO 0.04 -1.70 -0.12 0.95 -0.00 0.00 0.00 176.95 176.12 2pgz s THR 87 N -1.08 0.95 0.48 5.86 -4.23 -1.26 -5.11 115.64 111.26 2pgz s THR 87 Ca 0.49 -1.18 -0.21 0.00 -1.18 0.00 0.00 61.69 59.61 2pgz s THR 87 Cb -0.39 -0.93 -0.08 0.00 1.34 0.00 0.00 72.50 72.44 2pgz s THR 87 CO 0.51 -0.22 1.07 -2.16 -0.54 0.00 0.00 174.62 173.28 2pgz s PRO 88 N -1.58 3.75 -0.53 3.99 0.04 -1.26 -4.93 135.00 134.48 2pgz s PRO 88 Ca -0.03 1.48 -0.05 0.00 0.04 0.00 0.00 61.00 62.44 2pgz s PRO 88 Cb -0.10 -2.17 -0.01 0.00 0.04 0.00 0.00 34.50 32.26 2pgz s PRO 88 CO 0.02 -0.50 2.93 -0.40 0.04 0.00 0.00 177.00 179.09 2pgz n ASP 89 N -0.86 6.52 -4.69 6.66 5.75 -1.26 -4.95 116.55 123.72 2pgz n ASP 89 Ca 0.09 -3.00 -0.42 0.00 -0.01 0.00 0.00 54.79 51.45 2pgz n ASP 89 Cb 0.51 -1.31 -0.03 0.00 -1.03 0.00 0.00 41.12 39.26 2pgz n ASP 89 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2pgz s ILE 90 N -1.14 3.41 -0.01 2.12 -1.09 -1.26 -2.71 121.20 120.52 2pgz s ILE 90 Ca 0.61 0.86 0.01 0.00 -2.23 0.00 0.00 60.65 59.90 2pgz s ILE 90 Cb 0.33 -3.55 0.00 0.00 -1.58 0.00 0.00 42.46 37.66 2pgz s ILE 90 CO -0.15 0.01 -0.04 -0.89 -1.23 0.00 0.00 174.94 172.65 2pgz s THR 91 N 2.26 0.31 0.21 2.92 2.01 0.08 -4.89 115.64 118.53 2pgz s THR 91 Ca 0.67 -0.15 -0.30 0.00 0.31 0.00 0.00 61.69 62.22 2pgz s THR 91 Cb -0.35 -0.27 -0.09 0.00 0.01 0.00 0.00 72.50 71.79 2pgz s THR 91 CO 0.29 0.10 1.39 0.00 -0.69 0.00 0.00 174.62 175.70 2pgz s ALA 92 N 0.02 3.59 -0.62 7.40 0.00 -1.26 -1.52 121.76 129.37 2pgz s ALA 92 Ca 0.00 1.22 0.24 0.00 0.00 0.00 0.00 51.96 53.43 2pgz s ALA 92 Cb -0.03 -3.53 0.45 0.00 0.00 0.00 0.00 23.12 20.01 2pgz s ALA 92 CO -0.00 -0.65 1.45 1.88 0.00 0.00 0.00 175.76 178.44 2pgz h TYR 93 N 5.44 0.00 -0.23 0.00 0.05 -1.02 -3.36 116.97 117.85 2pgz h TYR 93 Ca -0.45 0.00 -0.21 0.00 0.05 0.00 0.00 58.73 58.12 2pgz h TYR 93 Cb 1.21 0.00 -0.28 0.00 1.01 0.00 0.00 36.73 38.67 2pgz h TYR 93 CO 0.62 0.00 -0.85 -1.13 -1.05 0.00 0.00 178.16 175.75 2pgz n SER 94 N -2.28 2.07 -4.75 3.88 3.41 -1.26 -5.02 113.62 109.67 2pgz n SER 94 Ca 0.04 -2.91 -0.33 0.00 -0.26 0.00 0.00 58.87 55.40 2pgz n SER 94 Cb 0.45 -0.41 0.08 0.00 -0.26 0.00 0.00 64.21 64.07 2pgz n SER 94 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2pgz s SER 95 N -3.03 4.53 0.00 4.04 1.04 -1.26 -1.80 113.70 117.22 2pgz s SER 95 Ca 0.37 2.11 0.04 0.00 0.48 0.00 0.00 55.95 58.95 2pgz s SER 95 Cb 0.37 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.93 2pgz s SER 95 CO -0.07 -2.03 0.41 0.35 0.98 0.00 0.00 173.24 172.88 2pgz n THR 96 N -2.83 0.00 -3.77 2.02 -2.24 -0.35 -4.82 114.28 102.30 2pgz n THR 96 Ca 0.11 -0.47 -0.11 0.00 -2.27 0.00 0.00 64.05 61.32 2pgz n THR 96 Cb 0.52 1.04 -0.07 0.00 -2.10 0.00 0.00 70.33 69.72 2pgz n THR 96 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2pgz s ARG 97 N -0.75 0.83 0.38 -0.78 0.52 -1.25 -5.05 118.95 112.84 2pgz s ARG 97 Ca 0.03 -0.60 -0.28 0.00 -0.52 0.00 0.00 55.73 54.36 2pgz s ARG 97 Cb 0.03 0.35 -0.11 0.00 0.52 0.00 0.00 34.95 35.74 2pgz s ARG 97 CO 0.09 -0.27 1.50 -2.14 0.02 0.00 0.00 175.30 174.50 2pgz s PRO 98 N -2.86 4.09 0.35 3.54 0.02 -1.26 -4.65 135.00 134.23 2pgz s PRO 98 Ca -0.03 2.59 -0.28 0.00 0.02 0.00 0.00 61.00 63.31 2pgz s PRO 98 Cb 0.00 -2.96 -0.12 0.00 0.02 0.00 0.00 34.50 31.44 2pgz s PRO 98 CO -0.05 -0.56 1.30 0.28 -0.33 0.00 0.00 177.00 177.64 2pgz n VAL 99 N 0.46 2.07 -4.21 3.83 0.31 -1.26 -4.87 118.33 114.66 2pgz n VAL 99 Ca 0.01 -0.50 -0.34 0.00 -0.01 0.00 0.00 64.34 63.50 2pgz n VAL 99 Cb 0.39 -1.59 -0.12 0.00 -0.91 0.00 0.00 33.84 31.61 2pgz n VAL 99 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 2pgz s GLN 100 N -1.93 3.73 -0.11 5.55 -0.21 -0.74 -4.98 119.66 120.96 2pgz s GLN 100 Ca 0.56 -0.48 -0.16 0.00 0.02 0.00 0.00 55.36 55.31 2pgz s GLN 100 Cb -0.56 -3.04 -0.05 0.00 1.00 0.00 0.00 33.01 30.37 2pgz s GLN 100 CO 0.62 0.18 0.39 0.08 -2.12 0.00 0.00 175.29 174.44 2pgz s VAL 101 N 0.56 5.21 -0.99 1.09 1.01 -1.26 -1.13 120.40 124.87 2pgz s VAL 101 Ca -0.01 0.77 0.11 0.00 0.00 0.00 0.00 61.98 62.85 2pgz s VAL 101 Cb -0.14 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.51 2pgz s VAL 101 CO 0.02 0.41 0.66 0.18 0.00 0.00 0.00 175.10 176.37 2pgz n LEU 102 N 3.23 1.25 -4.27 3.92 4.77 0.27 -4.98 117.00 121.19 2pgz n LEU 102 Ca -0.10 -0.75 -0.15 0.00 -0.03 0.00 0.00 56.01 54.97 2pgz n LEU 102 Cb 0.52 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.51 2pgz n LEU 102 CO 0.40 0.25 -0.42 -0.94 -1.33 0.00 0.00 177.39 175.35 2pgz s SER 103 N -1.48 1.98 0.32 -1.43 1.04 -1.25 -4.91 113.70 107.99 2pgz s SER 103 Ca 0.09 -0.99 -0.29 0.00 0.48 0.00 0.00 55.95 55.24 2pgz s SER 103 Cb 0.09 -0.04 -0.12 0.00 0.10 0.00 0.00 66.02 66.04 2pgz s SER 103 CO 0.29 -0.27 1.42 -2.65 0.98 0.00 0.00 173.24 173.00 2pgz n PRO 104 N -0.15 2.37 -1.84 4.02 -0.02 -1.26 -4.83 135.00 133.29 2pgz n PRO 104 Ca -0.10 0.83 -0.42 0.00 -2.02 0.00 0.00 63.50 61.79 2pgz n PRO 104 Cb 0.60 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 2pgz n PRO 104 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2pgz n GLN 105 N 1.08 2.92 -4.44 -0.52 1.13 -1.26 -4.88 117.38 111.41 2pgz n GLN 105 Ca 0.06 -2.71 -0.20 0.00 -1.94 0.00 0.00 57.00 52.20 2pgz n GLN 105 Cb 0.36 -3.29 -0.15 0.00 0.11 0.00 0.00 30.24 27.27 2pgz n GLN 105 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2pgz s ILE 106 N 3.14 0.84 0.34 5.09 1.01 -1.26 -0.38 121.20 129.98 2pgz s ILE 106 Ca 0.47 -0.41 0.09 0.00 0.00 0.00 0.00 60.65 60.80 2pgz s ILE 106 Cb 0.13 -0.73 -0.06 0.00 0.01 0.00 0.00 42.46 41.81 2pgz s ILE 106 CO -0.07 0.25 -0.02 0.00 0.00 0.00 0.00 174.94 175.10 2pgz s ALA 107 N 0.05 3.12 -0.17 9.38 0.00 0.43 -4.65 121.76 129.93 2pgz s ALA 107 Ca -0.01 -2.01 -0.02 0.00 0.00 0.00 0.00 51.96 49.93 2pgz s ALA 107 Cb -0.07 -0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.77 2pgz s ALA 107 CO 0.00 0.07 -0.10 0.08 0.00 0.00 0.00 175.76 175.82 2pgz s VAL 108 N -2.55 3.12 -0.16 0.00 1.01 -0.26 -1.43 120.40 120.13 2pgz s VAL 108 Ca 0.34 -0.61 -0.05 0.00 0.00 0.00 0.00 61.98 61.66 2pgz s VAL 108 Cb 0.01 -2.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 2pgz s VAL 108 CO 0.18 0.49 -0.01 -0.69 0.00 0.00 0.00 175.10 175.07 2pgz s VAL 109 N 0.87 4.10 0.20 2.92 1.01 0.12 -1.14 120.40 128.48 2pgz s VAL 109 Ca -0.03 -0.28 0.06 0.00 0.00 0.00 0.00 61.98 61.74 2pgz s VAL 109 Cb -0.15 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 2pgz s VAL 109 CO 0.00 0.49 0.12 -0.89 0.00 0.00 0.00 175.10 174.82 2pgz s THR 110 N 0.36 4.26 0.59 3.92 2.01 0.35 -0.86 115.64 126.27 2pgz s THR 110 Ca -0.02 -1.31 0.42 0.00 0.31 0.00 0.00 61.69 61.08 2pgz s THR 110 Cb -0.14 -3.22 0.43 0.00 0.01 0.00 0.00 72.50 69.58 2pgz s THR 110 CO 0.02 -0.21 2.32 1.12 -0.69 0.00 0.00 174.62 177.18 2pgz h HIS 111 N 2.13 0.00 -0.00 4.92 2.07 -1.18 0.11 115.15 123.20 2pgz h HIS 111 Ca -0.48 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.04 2pgz h HIS 111 Cb 1.22 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.20 2pgz h HIS 111 CO 0.59 0.00 0.00 -0.40 -3.07 0.00 0.00 177.93 175.05 2pgz n ASP 112 N -3.18 0.01 0.00 3.10 5.75 -1.26 -1.39 116.55 119.58 2pgz n ASP 112 Ca -0.03 -1.04 0.00 0.00 -0.01 0.00 0.00 54.79 53.71 2pgz n ASP 112 Cb 0.10 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.19 2pgz n ASP 112 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2pgz n GLY 113 N 0.98 0.67 3.77 6.12 0.00 0.02 -4.69 105.19 112.06 2pgz n GLY 113 Ca 0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.87 2pgz n GLY 113 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2pgz s SER 114 N -2.92 7.33 -0.03 1.61 1.04 -1.22 -1.29 113.70 118.22 2pgz s SER 114 Ca 0.00 1.97 0.06 0.00 0.48 0.00 0.00 55.95 58.46 2pgz s SER 114 Cb 0.00 -2.60 -0.01 0.00 0.10 0.00 0.00 66.02 63.51 2pgz s SER 114 CO 0.00 -0.07 -0.21 -0.69 0.98 0.00 0.00 173.24 173.24 2pgz s VAL 115 N -1.41 1.71 -0.10 5.02 1.01 0.74 -0.50 120.40 126.86 2pgz s VAL 115 Ca 0.48 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.58 2pgz s VAL 115 Cb -0.24 -1.44 0.01 0.00 0.00 0.00 0.00 36.38 34.72 2pgz s VAL 115 CO 0.30 0.48 -0.17 -0.32 0.00 0.00 0.00 175.10 175.39 2pgz s MET 116 N -0.26 2.34 -0.04 2.72 0.00 -0.29 -2.35 119.30 121.42 2pgz s MET 116 Ca 0.02 -0.62 0.00 0.00 0.00 0.00 0.00 55.69 55.09 2pgz s MET 116 Cb -0.11 -1.92 0.03 0.00 0.00 0.00 0.00 34.83 32.83 2pgz s MET 116 CO 0.01 -0.00 -0.00 0.12 0.00 0.00 0.00 175.02 175.15 2pgz s PHE 117 N 0.81 0.40 -0.52 4.11 5.36 -0.48 -1.10 117.98 126.56 2pgz s PHE 117 Ca -0.10 -0.03 0.06 0.00 -0.96 0.00 0.00 56.93 55.90 2pgz s PHE 117 Cb -0.16 -0.50 0.23 0.00 -0.34 0.00 0.00 43.02 42.25 2pgz s PHE 117 CO 0.01 -0.17 0.57 -0.89 -1.46 0.00 0.00 175.22 173.28 2pgz n ILE 118 N 4.35 0.56 -2.09 3.12 5.41 -1.26 -0.51 119.36 128.93 2pgz n ILE 118 Ca -0.22 -4.45 -0.42 0.00 1.00 0.00 0.00 62.75 58.66 2pgz n ILE 118 Cb 0.50 -1.99 -0.03 0.00 -0.71 0.00 0.00 39.64 37.41 2pgz n ILE 118 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2pgz s PRO 119 N -1.49 4.27 0.08 0.38 0.04 -1.20 -4.73 135.00 132.35 2pgz s PRO 119 Ca 0.35 2.15 -0.23 0.00 0.04 0.00 0.00 61.00 63.31 2pgz s PRO 119 Cb 0.12 -3.33 -0.06 0.00 0.04 0.00 0.00 34.50 31.26 2pgz s PRO 119 CO -0.10 -0.54 0.71 0.00 0.04 0.00 0.00 177.00 177.11 2pgz s ALA 120 N 1.55 3.45 0.02 8.56 0.00 -1.26 -1.46 121.76 132.62 2pgz s ALA 120 Ca 0.67 0.22 0.01 0.00 0.00 0.00 0.00 51.96 52.86 2pgz s ALA 120 Cb -0.38 -2.88 -0.02 0.00 0.00 0.00 0.00 23.12 19.84 2pgz s ALA 120 CO 0.30 0.20 -0.04 -0.65 0.00 0.00 0.00 175.76 175.57 2pgz s GLN 121 N -0.58 0.35 -0.22 0.00 -0.21 -0.27 -0.57 119.66 118.18 2pgz s GLN 121 Ca 0.35 -0.52 -0.07 0.00 0.02 0.00 0.00 55.36 55.13 2pgz s GLN 121 Cb -0.21 -0.10 -0.03 0.00 1.00 0.00 0.00 33.01 33.67 2pgz s GLN 121 CO 0.22 0.01 0.06 0.50 -2.12 0.00 0.00 175.29 173.97 2pgz s ARG 122 N -1.14 3.80 -0.07 2.91 3.52 -0.29 -1.99 118.95 125.69 2pgz s ARG 122 Ca -0.10 -0.42 0.04 0.00 -0.13 0.00 0.00 55.73 55.12 2pgz s ARG 122 Cb -0.08 -3.26 -0.00 0.00 -1.56 0.00 0.00 34.95 30.05 2pgz s ARG 122 CO -0.00 0.03 -0.19 -1.17 -0.81 0.00 0.00 175.30 173.16 2pgz s LEU 123 N 1.02 1.93 -0.19 -0.88 2.96 0.22 -1.79 118.68 121.95 2pgz s LEU 123 Ca 0.04 -0.43 -0.09 0.00 -0.22 0.00 0.00 54.13 53.43 2pgz s LEU 123 Cb -0.14 -1.13 -0.05 0.00 0.50 0.00 0.00 46.19 45.37 2pgz s LEU 123 CO 0.03 0.14 0.10 -0.44 -1.32 0.00 0.00 176.35 174.87 2pgz s SER 124 N 0.22 6.00 0.15 3.68 0.01 -1.26 -0.75 113.70 121.75 2pgz s SER 124 Ca -0.10 0.19 -0.05 0.00 1.31 0.00 0.00 55.95 57.29 2pgz s SER 124 Cb -0.15 -2.04 -0.02 0.00 0.21 0.00 0.00 66.02 64.02 2pgz s SER 124 CO 0.05 0.19 0.18 0.72 0.41 0.00 0.00 173.24 174.79 2pgz s PHE 125 N 0.28 0.59 -0.19 2.43 -0.12 -0.47 -1.21 117.98 119.29 2pgz s PHE 125 Ca 0.07 -0.96 -0.29 0.00 -0.05 0.00 0.00 56.93 55.69 2pgz s PHE 125 Cb -0.12 -0.24 -0.04 0.00 -0.63 0.00 0.00 43.02 42.00 2pgz s PHE 125 CO -0.01 -0.62 1.71 -1.64 -0.05 0.00 0.00 175.22 174.61 2pgz s MET 126 N -4.00 3.77 -0.27 1.99 -1.94 -0.74 -1.54 119.30 116.58 2pgz s MET 126 Ca 0.20 1.80 -0.13 0.00 -1.71 0.00 0.00 55.69 55.85 2pgz s MET 126 Cb 0.05 -4.08 0.09 0.00 2.01 0.00 0.00 34.83 32.90 2pgz s MET 126 CO 0.00 -1.33 0.63 0.00 -0.01 0.00 0.00 175.02 174.31 2pgz s ASP 128 N 2.01 6.29 -0.02 0.00 -1.08 -1.26 -3.17 116.67 119.44 2pgz s ASP 128 Ca -0.08 -0.52 0.04 0.00 -0.52 0.00 0.00 52.55 51.47 2pgz s ASP 128 Cb -0.08 -2.32 0.15 0.00 -1.46 0.00 0.00 42.92 39.22 2pgz s ASP 128 CO -0.18 -0.84 1.00 -0.81 0.52 0.00 0.00 175.17 174.86 2pgz n PRO 129 N 6.30 1.54 -1.67 4.34 -0.04 -1.26 -4.71 135.00 139.51 2pgz n PRO 129 Ca -0.03 -0.61 -0.47 0.00 -0.04 0.00 0.00 63.50 62.34 2pgz n PRO 129 Cb 0.47 -1.31 -0.05 0.00 -0.04 0.00 0.00 33.50 32.57 2pgz n PRO 129 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2pgz n THR 130 N 0.03 0.14 -0.09 0.52 -1.04 -1.26 -1.19 114.28 111.39 2pgz n THR 130 Ca 0.06 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 2pgz n THR 130 Cb 0.25 -1.53 0.00 0.00 -1.82 0.00 0.00 70.33 67.22 2pgz n THR 130 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2pgz n GLY 131 N 3.57 0.51 0.29 3.41 0.00 -1.26 -4.55 105.19 107.15 2pgz n GLY 131 Ca 0.19 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.31 2pgz n GLY 131 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2pgz h VAL 132 N 0.00 0.95 -0.77 1.61 3.04 -1.35 -2.24 116.25 117.48 2pgz h VAL 132 Ca 0.00 -0.01 -0.42 0.00 -1.01 0.00 0.00 66.70 65.26 2pgz h VAL 132 Cb 0.00 0.92 -0.16 0.00 -2.01 0.00 0.00 31.29 30.04 2pgz h VAL 132 CO 0.00 0.00 0.40 -0.90 -1.01 0.00 0.00 177.57 176.07 2pgz n ASP 133 N -4.50 6.49 -4.13 3.17 5.75 -1.26 -0.83 116.55 121.23 2pgz n ASP 133 Ca 0.00 -3.15 -0.10 0.00 -0.01 0.00 0.00 54.79 51.53 2pgz n ASP 133 Cb 0.20 -1.15 -0.10 0.00 -1.03 0.00 0.00 41.12 39.05 2pgz n ASP 133 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2pgz s SER 134 N 0.23 0.25 0.20 -1.12 1.04 -0.84 -5.02 113.70 108.43 2pgz s SER 134 Ca 0.47 -1.19 -0.10 0.00 0.48 0.00 0.00 55.95 55.61 2pgz s SER 134 Cb 0.32 0.33 0.19 0.00 0.10 0.00 0.00 66.02 66.96 2pgz s SER 134 CO -0.11 -0.77 1.83 -0.08 0.98 0.00 0.00 173.24 175.09 2pgz h GLU 135 N 2.78 0.76 -0.00 4.02 4.81 -1.90 -2.32 114.58 122.74 2pgz h GLU 135 Ca -0.35 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 2pgz h GLU 135 Cb 1.21 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.42 2pgz h GLU 135 CO 0.56 0.51 -0.24 0.39 -0.73 0.00 0.00 179.01 179.50 2pgz n GLU 136 N -4.71 0.42 0.00 1.92 -0.58 -1.26 -5.00 120.64 111.43 2pgz n GLU 136 Ca 0.07 -0.19 0.00 0.00 -0.42 0.00 0.00 57.16 56.62 2pgz n GLU 136 Cb 0.10 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.48 2pgz n GLU 136 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2pgz n GLY 137 N 1.39 0.19 3.71 0.62 0.00 -0.87 -4.71 105.19 105.52 2pgz n GLY 137 Ca 0.10 -0.98 -0.23 0.00 0.00 0.00 0.00 46.02 44.91 2pgz n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pgz s ALA 138 N -1.70 3.31 -0.06 4.61 0.00 0.16 -4.34 121.76 123.74 2pgz s ALA 138 Ca 0.00 -1.51 0.03 0.00 0.00 0.00 0.00 51.96 50.48 2pgz s ALA 138 Cb 0.00 -0.99 0.01 0.00 0.00 0.00 0.00 23.12 22.13 2pgz s ALA 138 CO 0.00 0.31 -0.15 0.99 0.00 0.00 0.00 175.76 176.91 2pgz s THR 139 N -2.14 1.29 0.20 0.00 2.01 -1.26 -1.25 115.64 114.49 2pgz s THR 139 Ca 0.31 -0.59 0.02 0.00 0.31 0.00 0.00 61.69 61.74 2pgz s THR 139 Cb -0.07 -1.15 -0.05 0.00 0.01 0.00 0.00 72.50 71.24 2pgz s THR 139 CO 0.21 0.39 0.01 0.00 -0.69 0.00 0.00 174.62 174.54 2pgz s ALA 141 N -3.61 -0.40 -0.15 0.00 0.00 -1.26 -0.81 121.76 115.53 2pgz s ALA 141 Ca 0.27 -0.16 -0.09 0.00 0.00 0.00 0.00 51.96 51.98 2pgz s ALA 141 Cb 0.06 0.20 0.05 0.00 0.00 0.00 0.00 23.12 23.43 2pgz s ALA 141 CO 0.06 -0.30 0.37 0.54 0.00 0.00 0.00 175.76 176.43 2pgz s VAL 142 N -2.03 -0.03 -0.01 0.00 0.11 -0.32 -4.90 120.40 113.23 2pgz s VAL 142 Ca -0.09 0.09 -0.15 0.00 -2.93 0.00 0.00 61.98 58.90 2pgz s VAL 142 Cb -0.04 -0.54 -0.06 0.00 -1.53 0.00 0.00 36.38 34.22 2pgz s VAL 142 CO -0.01 0.04 0.40 -0.54 -3.33 0.00 0.00 175.10 171.66 2pgz s LYS 143 N 1.20 3.91 -0.02 1.54 1.02 -1.26 -0.60 119.74 125.52 2pgz s LYS 143 Ca -0.08 0.39 0.08 0.00 0.02 0.00 0.00 55.97 56.38 2pgz s LYS 143 Cb -0.08 -3.23 -0.02 0.00 -0.52 0.00 0.00 37.83 33.98 2pgz s LYS 143 CO -0.10 0.68 -0.25 -0.06 -0.92 0.00 0.00 175.35 174.70 2pgz s PHE 144 N -1.02 2.25 -0.05 3.18 0.08 0.36 -0.28 117.98 122.50 2pgz s PHE 144 Ca 0.23 -0.43 -0.29 0.00 0.12 0.00 0.00 56.93 56.56 2pgz s PHE 144 Cb -0.16 -1.45 0.10 0.00 -0.57 0.00 0.00 43.02 40.93 2pgz s PHE 144 CO 0.13 -0.04 1.32 0.41 -0.10 0.00 0.00 175.22 176.93 2pgz n GLY 145 N 2.48 0.16 3.77 4.36 0.00 -0.58 -0.06 105.19 115.32 2pgz n GLY 145 Ca -0.16 -1.03 -0.40 0.00 0.00 0.00 0.00 46.02 44.43 2pgz n GLY 145 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2pgz s SER 146 N -3.90 6.11 0.06 1.61 0.15 -1.26 -0.74 113.70 115.72 2pgz s SER 146 Ca 0.31 2.89 -0.14 0.00 0.70 0.00 0.00 55.95 59.71 2pgz s SER 146 Cb -0.00 -2.65 -0.27 0.00 -1.71 0.00 0.00 66.02 61.38 2pgz s SER 146 CO -0.02 -1.02 1.13 -0.25 1.20 0.00 0.00 173.24 174.28 2pgz h TRP 147 N 2.59 0.99 0.00 3.44 2.91 -1.86 -3.41 115.95 120.61 2pgz h TRP 147 Ca -0.51 -0.61 0.00 0.00 1.13 0.00 0.00 58.89 58.91 2pgz h TRP 147 Cb 1.25 -0.08 0.00 0.00 -0.51 0.00 0.00 29.16 29.82 2pgz h TRP 147 CO 0.52 1.45 -0.85 1.33 -1.03 0.00 0.00 178.44 179.86 2pgz n VAL 148 N -3.79 0.00 -3.79 2.65 0.24 -1.26 -4.98 118.33 107.40 2pgz n VAL 148 Ca -0.13 -0.22 -0.35 0.00 -2.04 0.00 0.00 64.34 61.60 2pgz n VAL 148 Cb 0.97 0.63 -0.08 0.00 -1.47 0.00 0.00 33.84 33.88 2pgz n VAL 148 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 2pgz s TYR 149 N -2.02 3.39 0.93 6.34 2.02 -1.26 -5.10 117.35 121.65 2pgz s TYR 149 Ca -0.00 0.29 -0.14 0.00 -0.37 0.00 0.00 57.07 56.85 2pgz s TYR 149 Cb 0.04 -2.13 0.19 0.00 -0.40 0.00 0.00 41.96 39.66 2pgz s TYR 149 CO 0.22 0.29 1.28 -1.54 -1.57 0.00 0.00 175.55 174.23 2pgz s SER 150 N 0.29 3.25 0.00 2.29 1.04 -1.26 -4.66 113.70 114.66 2pgz s SER 150 Ca 0.07 0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.66 2pgz s SER 150 Cb -0.11 -0.23 0.00 0.00 0.10 0.00 0.00 66.02 65.78 2pgz s SER 150 CO -0.01 -2.63 0.98 0.61 0.98 0.00 0.00 173.24 173.16 2pgz n GLY 151 N -3.65 -0.48 0.23 7.32 0.00 0.13 -1.16 105.19 107.58 2pgz n GLY 151 Ca 0.15 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.11 2pgz n GLY 151 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2pgz h PHE 152 N 0.00 0.63 0.00 1.61 0.04 -1.91 -3.40 116.94 113.91 2pgz h PHE 152 Ca 0.00 -0.17 -0.18 0.00 2.80 0.00 0.00 57.97 60.43 2pgz h PHE 152 Cb 0.04 -0.14 -0.03 0.00 2.20 0.00 0.00 35.95 38.02 2pgz h PHE 152 CO 0.00 0.82 -1.66 0.39 -0.60 0.00 0.00 178.31 177.27 2pgz n GLU 153 N -4.05 0.28 -4.23 1.51 4.71 -0.55 -4.22 120.64 114.10 2pgz n GLU 153 Ca -0.01 0.07 -0.30 0.00 -0.01 0.00 0.00 57.16 56.91 2pgz n GLU 153 Cb 0.49 -1.19 -0.16 0.00 -1.01 0.00 0.00 31.44 29.56 2pgz n GLU 153 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2pgz s ILE 154 N -2.23 1.69 0.27 -3.67 1.01 -0.31 -0.85 121.20 117.11 2pgz s ILE 154 Ca -0.16 -0.73 0.07 0.00 0.00 0.00 0.00 60.65 59.84 2pgz s ILE 154 Cb 0.04 -1.55 -0.03 0.00 0.01 0.00 0.00 42.46 40.92 2pgz s ILE 154 CO 0.26 0.48 0.20 -0.62 0.00 0.00 0.00 174.94 175.26 2pgz s ASP 155 N 1.24 5.39 0.18 3.58 -1.08 -0.19 -3.98 116.67 121.81 2pgz s ASP 155 Ca 0.01 -0.33 0.09 0.00 -0.52 0.00 0.00 52.55 51.79 2pgz s ASP 155 Cb -0.14 -1.27 -0.04 0.00 -1.46 0.00 0.00 42.92 40.01 2pgz s ASP 155 CO -0.08 -0.10 -0.18 -0.76 0.52 0.00 0.00 175.17 174.57 2pgz s LEU 156 N -3.86 2.47 0.14 -1.34 1.43 -1.26 -1.24 118.68 115.02 2pgz s LEU 156 Ca 0.34 -0.90 -0.11 0.00 -1.03 0.00 0.00 54.13 52.44 2pgz s LEU 156 Cb -0.07 -0.87 0.00 0.00 0.03 0.00 0.00 46.19 45.28 2pgz s LEU 156 CO 0.25 -0.03 0.29 -1.59 0.23 0.00 0.00 176.35 175.50 2pgz s LYS 157 N -2.95 1.06 0.16 1.70 -2.85 -0.66 -4.90 119.74 111.30 2pgz s LYS 157 Ca 0.18 -1.01 0.11 0.00 -1.00 0.00 0.00 55.97 54.25 2pgz s LYS 157 Cb -0.05 0.39 -0.04 0.00 -2.06 0.00 0.00 37.83 36.07 2pgz s LYS 157 CO 0.08 -0.39 -0.24 0.95 0.10 0.00 0.00 175.35 175.85 2pgz s THR 158 N -3.90 2.21 -0.02 3.79 -4.23 -1.26 -0.74 115.64 111.49 2pgz s THR 158 Ca 0.10 -1.87 0.12 0.00 -1.18 0.00 0.00 61.69 58.86 2pgz s THR 158 Cb 0.03 -2.00 -0.14 0.00 1.34 0.00 0.00 72.50 71.73 2pgz s THR 158 CO -0.06 -0.05 1.10 0.44 -0.54 0.00 0.00 174.62 175.51 2pgz h ASP 159 N 3.55 0.00 -5.02 3.99 3.32 -1.98 -3.47 116.42 116.81 2pgz h ASP 159 Ca -0.48 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.47 2pgz h ASP 159 Cb 1.19 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.56 2pgz h ASP 159 CO 0.44 0.81 -0.22 0.28 -1.72 0.00 0.00 179.24 178.83 2pgz s THR 160 N -2.78 0.06 -2.29 0.35 -1.32 -1.26 -5.03 115.64 103.37 2pgz s THR 160 Ca -0.00 -0.53 0.23 0.00 -1.21 0.00 0.00 61.69 60.18 2pgz s THR 160 Cb 0.09 -0.80 0.52 0.00 -1.51 0.00 0.00 72.50 70.80 2pgz s THR 160 CO 0.80 -0.29 1.67 -0.90 -2.21 0.00 0.00 174.62 173.69 2pgz n ASP 161 N 0.88 1.31 -4.57 8.08 3.85 -1.26 -4.79 116.55 120.05 2pgz n ASP 161 Ca -0.20 -1.56 -0.40 0.00 -0.71 0.00 0.00 54.79 51.91 2pgz n ASP 161 Cb 0.58 -0.05 -0.09 0.00 -1.35 0.00 0.00 41.12 40.21 2pgz n ASP 161 CO 0.00 0.00 0.00 -1.10 -1.01 0.00 0.00 177.20 175.09 2pgz s GLN 162 N -1.89 3.75 0.38 0.11 -1.52 -1.26 -0.84 119.66 118.39 2pgz s GLN 162 Ca 0.35 -0.15 -0.28 0.00 -1.95 0.00 0.00 55.36 53.33 2pgz s GLN 162 Cb 0.18 -3.75 -0.11 0.00 -0.22 0.00 0.00 33.01 29.12 2pgz s GLN 162 CO 0.29 -0.47 1.45 0.08 -0.25 0.00 0.00 175.29 176.39 2pgz s VAL 163 N 2.17 2.15 -0.24 1.09 1.01 -0.89 -4.88 120.40 120.81 2pgz s VAL 163 Ca 0.16 0.15 -0.29 0.00 0.00 0.00 0.00 61.98 61.99 2pgz s VAL 163 Cb -0.16 -3.09 -0.01 0.00 0.00 0.00 0.00 36.38 33.12 2pgz s VAL 163 CO 0.11 0.03 1.30 -0.62 0.00 0.00 0.00 175.10 175.93 2pgz s ASP 164 N -0.23 6.76 0.00 3.32 -1.08 -0.20 -4.87 116.67 120.37 2pgz s ASP 164 Ca 0.53 1.42 0.11 0.00 -0.52 0.00 0.00 52.55 54.09 2pgz s ASP 164 Cb -0.45 -2.54 0.26 0.00 -1.46 0.00 0.00 42.92 38.72 2pgz s ASP 164 CO 0.61 -0.96 1.16 0.18 0.52 0.00 0.00 175.17 176.67 2pgz n LEU 165 N 7.27 2.69 0.15 -1.34 4.77 -1.26 -1.46 117.00 127.81 2pgz n LEU 165 Ca 0.15 -1.73 0.12 0.00 -0.03 0.00 0.00 56.01 54.52 2pgz n LEU 165 Cb 0.46 -0.18 0.53 0.00 -2.33 0.00 0.00 43.42 41.91 2pgz n LEU 165 CO 0.60 0.64 0.87 0.77 -1.33 0.00 0.00 177.39 178.94 2pgz h SER 166 N 2.13 0.00 -0.33 -1.43 4.64 -1.89 -1.66 113.55 115.01 2pgz h SER 166 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2pgz h SER 166 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 2pgz h SER 166 CO 0.00 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.76 2pgz n SER 167 N -2.32 3.10 -4.74 4.97 7.64 -1.26 -5.03 113.62 115.98 2pgz n SER 167 Ca 0.01 -2.17 -0.42 0.00 1.01 0.00 0.00 58.87 57.30 2pgz n SER 167 Cb 0.20 -0.29 -0.02 0.00 -1.01 0.00 0.00 64.21 63.09 2pgz n SER 167 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 2pgz s TYR 168 N -1.31 2.98 -0.14 1.43 5.04 -0.63 -4.64 117.35 120.08 2pgz s TYR 168 Ca 0.26 0.84 -0.29 0.00 -2.44 0.00 0.00 57.07 55.45 2pgz s TYR 168 Cb 0.16 -3.91 -0.06 0.00 0.35 0.00 0.00 41.96 38.51 2pgz s TYR 168 CO 0.15 -3.11 2.03 -0.47 -1.34 0.00 0.00 175.55 172.81 2pgz s TYR 169 N 0.39 1.36 0.53 4.97 5.04 0.88 -4.87 117.35 125.65 2pgz s TYR 169 Ca 0.64 0.21 0.36 0.00 -2.44 0.00 0.00 57.07 55.83 2pgz s TYR 169 Cb -0.44 -4.05 1.93 0.00 0.35 0.00 0.00 41.96 39.76 2pgz s TYR 169 CO 0.40 -4.38 2.23 0.00 -1.34 0.00 0.00 175.55 172.46 2pgz h ALA 170 N 12.88 1.21 -0.20 3.97 0.00 -1.90 -2.18 119.26 133.04 2pgz h ALA 170 Ca -0.43 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 2pgz h ALA 170 Cb 1.22 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2pgz h ALA 170 CO 0.96 0.03 -0.04 0.43 0.00 0.00 0.00 179.25 180.64 2pgz n SER 171 N -3.42 3.13 -4.55 0.00 7.64 -1.26 -5.03 113.62 110.13 2pgz n SER 171 Ca -0.02 -3.23 -0.37 0.00 1.01 0.00 0.00 58.87 56.25 2pgz n SER 171 Cb 0.14 -0.54 0.06 0.00 -1.01 0.00 0.00 64.21 62.86 2pgz n SER 171 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2pgz n SER 172 N -0.89 -0.11 0.28 6.43 2.88 -0.82 -4.89 113.62 116.50 2pgz n SER 172 Ca 0.22 0.73 0.16 0.00 -1.33 0.00 0.00 58.87 58.65 2pgz n SER 172 Cb 0.85 -1.30 0.91 0.00 -0.75 0.00 0.00 64.21 63.92 2pgz n SER 172 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2pgz h LYS 173 N 0.14 0.00 -5.49 -1.46 1.79 -1.89 -3.43 116.57 106.23 2pgz h LYS 173 Ca -0.47 0.00 -0.67 0.00 -2.18 0.00 0.00 60.65 57.33 2pgz h LYS 173 Cb 1.37 0.00 -0.33 0.00 -1.58 0.00 0.00 32.23 31.69 2pgz h LYS 173 CO 0.48 0.00 -0.88 0.71 -1.08 0.00 0.00 179.45 178.68 2pgz s TYR 174 N -4.62 2.44 0.02 -1.35 2.02 -1.26 -1.44 117.35 113.15 2pgz s TYR 174 Ca -0.05 -0.91 -0.07 0.00 -0.37 0.00 0.00 57.07 55.67 2pgz s TYR 174 Cb 0.15 -1.62 -0.05 0.00 -0.40 0.00 0.00 41.96 40.04 2pgz s TYR 174 CO 0.54 -0.35 0.28 -1.83 -1.57 0.00 0.00 175.55 172.63 2pgz s GLU 175 N 0.20 3.60 -0.16 -0.62 -1.05 0.29 -4.78 118.70 116.18 2pgz s GLU 175 Ca -0.14 -0.05 -0.19 0.00 -0.15 0.00 0.00 54.97 54.44 2pgz s GLU 175 Cb -0.16 -3.07 -0.03 0.00 -0.44 0.00 0.00 34.13 30.42 2pgz s GLU 175 CO 0.07 0.64 0.54 0.42 0.95 0.00 0.00 175.26 177.87 2pgz s ILE 176 N -1.31 5.11 -0.13 1.83 -1.09 -1.26 -1.73 121.20 122.62 2pgz s ILE 176 Ca 0.28 1.03 0.03 0.00 -2.23 0.00 0.00 60.65 59.76 2pgz s ILE 176 Cb -0.13 -3.87 -0.24 0.00 -1.58 0.00 0.00 42.46 36.65 2pgz s ILE 176 CO 0.16 0.22 0.31 0.18 -1.23 0.00 0.00 174.94 174.58 2pgz n LEU 177 N 4.40 1.90 -3.49 2.97 4.77 0.63 -4.99 117.00 123.19 2pgz n LEU 177 Ca -0.05 0.18 -0.13 0.00 -0.03 0.00 0.00 56.01 55.99 2pgz n LEU 177 Cb 0.51 -0.53 -0.04 0.00 -2.33 0.00 0.00 43.42 41.03 2pgz n LEU 177 CO 0.43 0.70 0.52 -0.94 -1.33 0.00 0.00 177.39 176.77 2pgz s SER 178 N -6.50 -0.53 -0.22 -1.43 1.04 -1.04 -4.99 113.70 100.04 2pgz s SER 178 Ca -0.18 0.27 -0.06 0.00 0.48 0.00 0.00 55.95 56.45 2pgz s SER 178 Cb 0.07 0.50 0.10 0.00 0.10 0.00 0.00 66.02 66.80 2pgz s SER 178 CO 0.76 -0.71 0.44 0.00 0.98 0.00 0.00 173.24 174.71 2pgz s ALA 179 N -2.51 -1.26 0.17 5.32 0.00 -1.26 -0.86 121.76 121.37 2pgz s ALA 179 Ca -0.02 1.50 0.07 0.00 0.00 0.00 0.00 51.96 53.51 2pgz s ALA 179 Cb -0.01 -1.44 -0.04 0.00 0.00 0.00 0.00 23.12 21.63 2pgz s ALA 179 CO -0.03 -0.87 -0.15 0.95 0.00 0.00 0.00 175.76 175.66 2pgz s THR 180 N 2.64 1.65 -0.10 0.00 -4.23 -0.29 -2.09 115.64 113.21 2pgz s THR 180 Ca 0.01 -2.02 -0.02 0.00 -1.18 0.00 0.00 61.69 58.48 2pgz s THR 180 Cb -0.13 -1.87 0.04 0.00 1.34 0.00 0.00 72.50 71.88 2pgz s THR 180 CO -0.14 -0.48 0.01 0.00 -0.54 0.00 0.00 174.62 173.47 2pgz s GLN 181 N -3.20 0.58 -0.08 3.99 -2.07 -0.02 -1.10 119.66 117.76 2pgz s GLN 181 Ca 0.17 -0.02 -0.00 0.00 -1.82 0.00 0.00 55.36 53.69 2pgz s GLN 181 Cb -0.03 -1.27 0.02 0.00 -1.09 0.00 0.00 33.01 30.65 2pgz s GLN 181 CO 0.06 -0.40 -0.04 0.99 -1.32 0.00 0.00 175.29 174.58 2pgz s THR 182 N 1.96 0.64 0.29 3.63 2.01 -0.60 -4.27 115.64 119.31 2pgz s THR 182 Ca 0.03 -0.08 -0.29 0.00 0.31 0.00 0.00 61.69 61.66 2pgz s THR 182 Cb -0.14 -0.72 -0.10 0.00 0.01 0.00 0.00 72.50 71.56 2pgz s THR 182 CO -0.06 0.29 1.41 -0.60 -0.69 0.00 0.00 174.62 174.97 2pgz s ARG 183 N 1.61 4.27 0.03 4.92 3.52 -1.26 -0.44 118.95 131.60 2pgz s ARG 183 Ca 0.01 2.32 0.05 0.00 -0.13 0.00 0.00 55.73 57.97 2pgz s ARG 183 Cb -0.13 -3.08 -0.02 0.00 -1.56 0.00 0.00 34.95 30.16 2pgz s ARG 183 CO -0.05 -0.37 -0.14 -0.65 -0.81 0.00 0.00 175.30 173.29 2pgz s GLN 184 N -1.06 0.94 -0.19 5.12 -0.21 0.37 -4.93 119.66 119.70 2pgz s GLN 184 Ca 0.55 -0.72 -0.02 0.00 0.02 0.00 0.00 55.36 55.19 2pgz s GLN 184 Cb -0.42 -0.94 0.00 0.00 1.00 0.00 0.00 33.01 32.65 2pgz s GLN 184 CO 0.49 0.24 -0.11 0.08 -2.12 0.00 0.00 175.29 173.86 2pgz s VAL 185 N -0.79 2.82 0.01 1.09 1.01 -1.26 -1.43 120.40 121.85 2pgz s VAL 185 Ca 0.02 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.32 2pgz s VAL 185 Cb -0.08 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 2pgz s VAL 185 CO 0.01 0.48 0.07 -1.10 0.00 0.00 0.00 175.10 174.56 2pgz s GLN 186 N 1.28 2.99 -0.14 2.72 -1.52 0.36 -4.93 119.66 120.42 2pgz s GLN 186 Ca 0.03 -0.55 0.01 0.00 -1.95 0.00 0.00 55.36 52.91 2pgz s GLN 186 Cb -0.14 -2.80 0.02 0.00 -0.22 0.00 0.00 33.01 29.86 2pgz s GLN 186 CO -0.06 0.63 -0.18 -1.58 -0.25 0.00 0.00 175.29 173.85 2pgz s HIS 187 N -1.22 2.43 -0.00 0.91 5.65 -1.26 -0.76 115.29 121.03 2pgz s HIS 187 Ca 0.24 -1.30 -0.00 0.00 0.25 0.00 0.00 55.06 54.24 2pgz s HIS 187 Cb -0.12 -1.70 -0.04 0.00 -1.18 0.00 0.00 32.58 29.54 2pgz s HIS 187 CO 0.15 -0.65 0.09 0.71 -0.65 0.00 0.00 174.74 174.39 2pgz s TYR 188 N 1.13 3.30 0.27 3.88 1.51 -1.26 -5.02 117.35 121.16 2pgz s TYR 188 Ca -0.01 0.21 0.33 0.00 -1.01 0.00 0.00 57.07 56.59 2pgz s TYR 188 Cb -0.14 -1.74 1.51 0.00 -0.11 0.00 0.00 41.96 41.48 2pgz s TYR 188 CO -0.07 0.56 2.05 0.66 -1.11 0.00 0.00 175.55 177.64 2pgz h SER 189 N 4.05 0.00 -0.88 2.29 4.64 -2.00 -2.79 113.55 118.87 2pgz h SER 189 Ca -0.49 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.81 2pgz h SER 189 Cb 1.18 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.23 2pgz h SER 189 CO 0.63 0.06 0.48 0.00 -0.87 0.00 0.00 176.83 177.12 2pgz h PRO 192 N 6.16 0.00 -6.69 0.00 0.13 -1.91 -3.40 132.00 126.29 2pgz h PRO 192 Ca -0.31 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.32 2pgz h PRO 192 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2pgz h PRO 192 CO 0.50 0.00 0.38 -1.21 -0.23 0.00 0.00 178.00 177.43 2pgz s GLU 193 N -3.30 4.76 0.51 0.86 8.01 -1.26 -5.05 118.70 123.23 2pgz s GLU 193 Ca 0.06 1.54 -0.19 0.00 0.01 0.00 0.00 54.97 56.38 2pgz s GLU 193 Cb 0.09 -3.30 -0.08 0.00 -4.31 0.00 0.00 34.13 26.53 2pgz s GLU 193 CO 0.56 0.35 1.04 -2.14 0.01 0.00 0.00 175.26 175.09 2pgz s PRO 194 N -0.78 3.71 -0.06 0.39 0.02 -1.26 -4.64 135.00 132.37 2pgz s PRO 194 Ca 0.44 1.34 0.05 0.00 0.02 0.00 0.00 61.00 62.85 2pgz s PRO 194 Cb -0.26 -2.08 -0.01 0.00 0.02 0.00 0.00 34.50 32.17 2pgz s PRO 194 CO 0.33 -0.51 -0.22 0.71 -0.33 0.00 0.00 177.00 176.98 2pgz s TYR 195 N -2.07 2.18 -0.05 6.54 2.02 0.06 0.18 117.35 126.21 2pgz s TYR 195 Ca 0.67 -0.69 0.06 0.00 -0.37 0.00 0.00 57.07 56.74 2pgz s TYR 195 Cb -0.16 -1.45 -0.02 0.00 -0.40 0.00 0.00 41.96 39.93 2pgz s TYR 195 CO 0.23 -0.23 -0.23 0.42 -1.57 0.00 0.00 175.55 174.17 2pgz s ILE 196 N 0.01 2.27 0.18 2.71 -1.09 -1.26 0.14 121.20 124.15 2pgz s ILE 196 Ca -0.06 -1.00 -0.06 0.00 -2.23 0.00 0.00 60.65 57.30 2pgz s ILE 196 Cb -0.14 -1.83 -0.02 0.00 -1.58 0.00 0.00 42.46 38.89 2pgz s ILE 196 CO 0.04 0.57 0.22 1.51 -1.23 0.00 0.00 174.94 176.05 2pgz s ASP 197 N -0.34 0.12 -0.19 3.58 1.47 -0.52 -4.47 116.67 116.32 2pgz s ASP 197 Ca 0.02 -1.10 -0.03 0.00 1.18 0.00 0.00 52.55 52.63 2pgz s ASP 197 Cb -0.12 0.41 -0.01 0.00 -0.34 0.00 0.00 42.92 42.86 2pgz s ASP 197 CO 0.02 -0.88 -0.07 -0.69 0.68 0.00 0.00 175.17 174.23 2pgz s VAL 198 N -4.04 3.26 -0.34 2.11 1.01 0.91 -0.48 120.40 122.83 2pgz s VAL 198 Ca 0.25 -0.55 -0.17 0.00 0.00 0.00 0.00 61.98 61.52 2pgz s VAL 198 Cb 0.05 -2.45 -0.01 0.00 0.00 0.00 0.00 36.38 33.97 2pgz s VAL 198 CO 0.05 0.46 0.45 0.21 0.00 0.00 0.00 175.10 176.27 2pgz s ASN 199 N 1.14 6.27 -0.33 3.32 2.47 0.42 -0.49 114.94 127.74 2pgz s ASN 199 Ca 0.01 -0.05 -0.18 0.00 0.42 0.00 0.00 52.86 53.07 2pgz s ASN 199 Cb -0.14 -2.24 -0.01 0.00 -1.45 0.00 0.00 41.25 37.40 2pgz s ASN 199 CO -0.02 -0.40 0.50 -0.22 -3.72 0.00 0.00 177.10 173.24 2pgz s LEU 200 N 2.24 4.27 -0.17 3.21 2.96 0.23 -1.55 118.68 129.87 2pgz s LEU 200 Ca 0.16 0.09 -0.00 0.00 -0.22 0.00 0.00 54.13 54.15 2pgz s LEU 200 Cb -0.16 -2.58 0.00 0.00 0.50 0.00 0.00 46.19 43.95 2pgz s LEU 200 CO 0.12 -0.42 -0.14 -0.69 -1.32 0.00 0.00 176.35 173.90 2pgz s VAL 201 N 2.35 2.69 -0.10 1.68 1.01 -0.26 -1.18 120.40 126.58 2pgz s VAL 201 Ca 0.19 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.44 2pgz s VAL 201 Cb -0.15 -2.15 0.01 0.00 0.00 0.00 0.00 36.38 34.09 2pgz s VAL 201 CO 0.12 0.51 -0.19 -0.69 0.00 0.00 0.00 175.10 174.85 2pgz s VAL 202 N 0.98 1.69 -0.20 2.92 1.01 0.01 -1.13 120.40 125.67 2pgz s VAL 202 Ca -0.02 -0.78 -0.05 0.00 0.00 0.00 0.00 61.98 61.12 2pgz s VAL 202 Cb -0.15 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 2pgz s VAL 202 CO -0.02 0.48 0.01 -0.75 0.00 0.00 0.00 175.10 174.81 2pgz s LYS 203 N 0.65 3.64 0.08 2.72 2.20 -0.04 -1.25 119.74 127.74 2pgz s LYS 203 Ca -0.13 -0.51 -0.11 0.00 -0.36 0.00 0.00 55.97 54.86 2pgz s LYS 203 Cb -0.16 -3.10 0.01 0.00 -1.51 0.00 0.00 37.83 33.06 2pgz s LYS 203 CO 0.04 0.02 0.25 -0.59 -0.36 0.00 0.00 175.35 174.70 2pgz s PHE 204 N 1.00 0.03 0.10 4.03 -0.12 -0.38 -0.26 117.98 122.37 2pgz s PHE 204 Ca 0.02 -0.35 -0.09 0.00 -0.05 0.00 0.00 56.93 56.45 2pgz s PHE 204 Cb -0.14 0.03 0.00 0.00 -0.63 0.00 0.00 43.02 42.27 2pgz s PHE 204 CO 0.02 -0.54 0.21 -0.98 -0.05 0.00 0.00 175.22 173.88 2pgz s ARG 205 N -3.40 0.88 0.26 1.99 1.70 -0.70 -0.67 118.95 119.01 2pgz s ARG 205 Ca 0.01 -0.95 -0.30 0.00 -0.47 0.00 0.00 55.73 54.02 2pgz s ARG 205 Cb 0.02 0.35 -0.10 0.00 -0.57 0.00 0.00 34.95 34.65 2pgz s ARG 205 CO -0.09 -0.29 1.48 -1.21 -1.08 0.00 0.00 175.30 174.11 2pgz s GLU 206 N -3.86 4.23 0.00 3.89 2.02 -0.01 -0.55 118.70 124.42 2pgz s GLU 206 Ca 0.05 2.37 0.14 0.00 0.02 0.00 0.00 54.97 57.55 2pgz s GLU 206 Cb 0.05 -3.09 0.81 0.00 0.10 0.00 0.00 34.13 32.00 2pgz s GLU 206 CO -0.11 -0.47 1.23 -2.13 0.02 0.00 0.00 175.26 173.81