#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1puj h MET 10 N 0.00 0.00 0.00 -0.41 3.00 -1.98 -2.59 114.93 112.94 1puj h MET 10 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 59.70 59.69 1puj h MET 10 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 31.60 31.60 1puj h MET 10 CO 0.00 0.00 -1.03 0.00 0.00 0.00 0.00 176.91 175.88 1puj n ALA 11 N -1.98 2.89 0.21 -3.00 0.00 -1.26 -4.48 120.51 112.89 1puj n ALA 11 Ca -0.03 -0.02 -0.14 0.00 0.00 0.00 0.00 53.44 53.26 1puj n ALA 11 Cb 0.10 0.49 -0.07 0.00 0.00 0.00 0.00 19.45 19.97 1puj n ALA 11 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1puj h LYS 12 N -0.02 -0.72 -0.07 0.00 3.64 -2.00 -0.36 116.57 117.05 1puj h LYS 12 Ca -0.01 0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.39 1puj h LYS 12 Cb 1.01 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.99 1puj h LYS 12 CO -0.01 -0.48 -0.10 0.00 -2.27 0.00 0.00 179.45 176.59 1puj h ALA 13 N -1.08 1.71 -0.39 5.00 0.00 -1.79 -2.61 119.26 120.10 1puj h ALA 13 Ca -0.04 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1puj h ALA 13 Cb 0.66 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1puj h ALA 13 CO -0.07 0.22 0.08 -0.09 0.00 0.00 0.00 179.25 179.39 1puj h ARG 14 N 0.10 0.64 0.00 0.00 2.43 -1.46 -2.75 114.38 113.33 1puj h ARG 14 Ca 0.02 -0.16 -0.12 0.00 -0.81 0.00 0.00 59.98 58.91 1puj h ARG 14 Cb 0.24 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1puj h ARG 14 CO 0.01 0.68 -0.58 0.07 -1.51 0.00 0.00 179.97 178.64 1puj h ARG 15 N 0.49 0.00 -0.49 0.20 0.11 -0.85 -2.12 114.38 111.72 1puj h ARG 15 Ca 0.12 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.19 1puj h ARG 15 Cb 0.34 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.40 1puj h ARG 15 CO 0.00 0.58 0.27 0.93 0.10 0.00 0.00 179.97 181.86 1puj h GLU 16 N 0.00 0.67 0.08 0.08 5.08 -1.29 -0.51 114.58 118.69 1puj h GLU 16 Ca -0.01 -0.06 -0.27 0.00 -1.00 0.00 0.00 59.36 58.03 1puj h GLU 16 Cb 1.06 -0.14 0.03 0.00 0.50 0.00 0.00 28.75 30.19 1puj h GLU 16 CO 0.08 0.49 -1.09 0.28 -1.00 0.00 0.00 179.01 177.77 1puj h VAL 17 N 0.68 1.32 -0.89 3.13 2.07 -1.24 -2.60 116.25 118.72 1puj h VAL 17 Ca 0.18 -2.37 0.04 0.00 0.82 0.00 0.00 66.70 65.38 1puj h VAL 17 Cb 0.01 2.65 -0.05 0.00 -1.52 0.00 0.00 31.29 32.38 1puj h VAL 17 CO -0.03 0.72 0.58 0.74 0.02 0.00 0.00 177.57 179.60 1puj h THR 18 N 0.20 1.12 0.14 2.57 2.02 -0.81 -0.25 112.91 117.90 1puj h THR 18 Ca -0.16 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 1puj h THR 18 Cb 1.77 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 68.13 1puj h THR 18 CO 0.21 0.20 -0.07 -0.33 0.37 0.00 0.00 175.52 175.90 1puj h GLU 19 N 1.08 -0.18 0.00 6.66 4.39 -1.15 -3.28 114.58 122.10 1puj h GLU 19 Ca 0.36 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 60.07 1puj h GLU 19 Cb 0.08 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1puj h GLU 19 CO -0.12 0.27 -0.02 0.87 -1.16 0.00 0.00 179.01 178.85 1puj h LYS 20 N -0.76 0.00 0.00 2.33 1.57 -1.25 -2.46 116.57 116.00 1puj h LYS 20 Ca -0.02 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 1puj h LYS 20 Cb 0.53 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1puj h LYS 20 CO 0.03 0.02 -0.22 -0.07 -0.57 0.00 0.00 179.45 178.64 1puj h LEU 21 N 0.00 0.00 -0.81 2.94 3.38 -1.10 -2.06 115.31 117.67 1puj h LEU 21 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1puj h LEU 21 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1puj h LEU 21 CO 0.00 0.22 0.00 0.11 0.09 0.00 0.00 178.44 178.86 1puj h LYS 22 N 0.00 0.00 -0.09 1.13 1.57 -1.58 -3.01 116.57 114.59 1puj h LYS 22 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1puj h LYS 22 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1puj h LYS 22 CO 0.03 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.19 1puj n LEU 23 N -2.50 2.57 -4.54 2.94 4.77 -0.78 -5.01 117.00 114.44 1puj n LEU 23 Ca 0.02 -1.14 -0.25 0.00 -0.03 0.00 0.00 56.01 54.61 1puj n LEU 23 Cb 0.28 -0.05 -0.09 0.00 -2.33 0.00 0.00 43.42 41.23 1puj n LEU 23 CO 0.23 0.49 -0.42 0.27 -1.33 0.00 0.00 177.39 176.63 1puj s ILE 24 N -1.37 2.97 -0.13 -0.08 -5.25 -1.14 -4.90 121.20 111.31 1puj s ILE 24 Ca 0.22 -1.94 0.10 0.00 -0.99 0.00 0.00 60.65 58.04 1puj s ILE 24 Cb 0.15 -2.51 -0.23 0.00 2.95 0.00 0.00 42.46 42.81 1puj s ILE 24 CO 0.22 -0.24 0.34 0.47 -1.79 0.00 0.00 174.94 173.94 1puj n ASP 25 N -0.30 0.95 -3.80 4.36 8.00 0.22 -4.99 116.55 120.98 1puj n ASP 25 Ca -0.09 0.20 -0.12 0.00 0.71 0.00 0.00 54.79 55.49 1puj n ASP 25 Cb 0.57 0.07 -0.09 0.00 -0.02 0.00 0.00 41.12 41.66 1puj n ASP 25 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1puj s ILE 26 N -2.55 0.07 -0.12 0.53 2.07 -0.96 -4.14 121.20 116.10 1puj s ILE 26 Ca -0.12 -0.59 -0.04 0.00 -1.41 0.00 0.00 60.65 58.48 1puj s ILE 26 Cb 0.07 -0.63 -0.04 0.00 0.13 0.00 0.00 42.46 42.00 1puj s ILE 26 CO 0.79 -0.32 0.03 -0.69 -1.91 0.00 0.00 174.94 172.84 1puj s VAL 27 N -1.58 4.58 -0.50 4.00 1.01 0.22 -1.24 120.40 126.89 1puj s VAL 27 Ca -0.12 -0.13 -0.07 0.00 0.00 0.00 0.00 61.98 61.66 1puj s VAL 27 Cb -0.05 -2.98 0.13 0.00 0.00 0.00 0.00 36.38 33.48 1puj s VAL 27 CO 0.02 0.56 0.35 -0.31 0.00 0.00 0.00 175.10 175.72 1puj s TYR 28 N -0.48 3.49 -0.47 5.22 4.12 0.17 -0.98 117.35 128.41 1puj s TYR 28 Ca 0.09 -2.16 -0.22 0.00 0.02 0.00 0.00 57.07 54.80 1puj s TYR 28 Cb -0.12 -3.40 0.03 0.00 -1.52 0.00 0.00 41.96 36.95 1puj s TYR 28 CO 0.02 -0.97 0.76 -2.00 0.02 0.00 0.00 175.55 173.38 1puj s GLU 29 N 1.00 3.32 -0.07 -0.62 2.12 -0.59 -1.92 118.70 121.94 1puj s GLU 29 Ca 0.09 -0.31 -0.23 0.00 0.36 0.00 0.00 54.97 54.88 1puj s GLU 29 Cb -0.23 -3.99 -0.04 0.00 0.26 0.00 0.00 34.13 30.13 1puj s GLU 29 CO -0.03 -1.18 0.69 -0.51 -0.54 0.00 0.00 175.26 173.70 1puj s LEU 30 N 3.21 4.31 0.20 2.70 1.02 -0.29 -0.55 118.68 129.28 1puj s LEU 30 Ca 0.26 1.17 0.06 0.00 0.02 0.00 0.00 54.13 55.64 1puj s LEU 30 Cb -0.14 -3.06 -0.05 0.00 0.02 0.00 0.00 46.19 42.96 1puj s LEU 30 CO 0.20 -0.11 -0.11 0.68 0.02 0.00 0.00 176.35 177.02 1puj s VAL 31 N 0.82 1.48 -0.34 -1.59 -7.23 -0.15 -4.36 120.40 109.02 1puj s VAL 31 Ca 0.37 -2.14 -0.25 0.00 -1.81 0.00 0.00 61.98 58.15 1puj s VAL 31 Cb -0.18 -2.06 0.01 0.00 0.56 0.00 0.00 36.38 34.71 1puj s VAL 31 CO 0.18 -0.58 0.88 -0.62 -0.31 0.00 0.00 175.10 174.65 1puj s ASP 32 N -3.28 6.69 0.61 4.85 -1.08 -1.26 -0.80 116.67 122.39 1puj s ASP 32 Ca 0.22 0.64 0.30 0.00 -0.52 0.00 0.00 52.55 53.19 1puj s ASP 32 Cb 0.01 -2.45 1.65 0.00 -1.46 0.00 0.00 42.92 40.68 1puj s ASP 32 CO 0.06 -0.77 2.03 0.00 0.52 0.00 0.00 175.17 177.01 1puj h ALA 33 N 8.31 1.78 0.00 3.66 0.00 -1.29 0.15 119.26 131.87 1puj h ALA 33 Ca -0.23 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1puj h ALA 33 Cb 1.08 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1puj h ALA 33 CO 0.95 -0.39 -0.19 0.00 0.00 0.00 0.00 179.25 179.62 1puj h ARG 34 N 0.00 0.00 -1.07 0.00 3.08 -1.81 -3.35 114.38 111.23 1puj h ARG 34 Ca 0.10 0.00 -0.40 0.00 0.07 0.00 0.00 59.98 59.75 1puj h ARG 34 Cb 0.67 0.00 -0.27 0.00 0.08 0.00 0.00 29.97 30.44 1puj h ARG 34 CO -0.00 0.19 -0.82 0.44 -1.07 0.00 0.00 179.97 178.70 1puj n ILE 35 N -3.42 -0.35 -0.02 2.04 -5.35 0.46 -0.87 119.36 111.85 1puj n ILE 35 Ca -0.00 -2.87 0.20 0.00 -0.27 0.00 0.00 62.75 59.81 1puj n ILE 35 Cb 0.38 -0.28 0.68 0.00 -1.74 0.00 0.00 39.64 38.69 1puj n ILE 35 CO 0.00 0.00 0.00 -0.65 -1.76 0.00 0.00 176.55 174.14 1puj h PRO 36 N 3.92 0.02 0.00 6.28 0.11 -1.47 -1.09 132.00 139.78 1puj h PRO 36 Ca -0.03 -0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.91 1puj h PRO 36 Cb 0.96 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.04 1puj h PRO 36 CO 0.39 0.01 -1.09 -0.12 -0.21 0.00 0.00 178.00 176.99 1puj n MET 37 N -4.38 0.53 0.23 1.05 0.00 -1.26 -4.11 117.12 109.18 1puj n MET 37 Ca 0.11 0.54 0.16 0.00 -0.00 0.00 0.00 57.70 58.50 1puj n MET 37 Cb 0.62 -1.71 0.78 0.00 0.00 0.00 0.00 33.22 32.91 1puj n MET 37 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 175.97 176.74 1puj h SER 38 N -1.00 0.00 -0.49 6.12 0.02 -1.94 -1.77 113.55 114.49 1puj h SER 38 Ca -0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1puj h SER 38 Cb 1.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.60 1puj h SER 38 CO -0.15 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 174.00 1puj n SER 39 N -2.67 3.18 -4.72 3.07 3.41 -0.42 -4.87 113.62 110.59 1puj n SER 39 Ca -0.01 -1.96 -0.39 0.00 -0.26 0.00 0.00 58.87 56.25 1puj n SER 39 Cb 0.15 -0.32 -0.06 0.00 -0.26 0.00 0.00 64.21 63.72 1puj n SER 39 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1puj s ARG 40 N -1.36 4.37 -0.58 4.33 0.52 -0.67 -4.57 118.95 121.00 1puj s ARG 40 Ca 0.40 0.60 -0.22 0.00 -0.52 0.00 0.00 55.73 55.98 1puj s ARG 40 Cb 0.22 -3.44 0.06 0.00 0.52 0.00 0.00 34.95 32.30 1puj s ARG 40 CO 0.29 0.12 0.86 1.21 0.02 0.00 0.00 175.30 177.80 1puj s ASN 41 N 0.70 6.24 0.30 0.23 3.84 -1.26 -4.93 114.94 120.05 1puj s ASN 41 Ca 0.30 -0.78 -0.01 0.00 0.21 0.00 0.00 52.86 52.57 1puj s ASN 41 Cb -0.16 -2.39 0.47 0.00 -0.55 0.00 0.00 41.25 38.63 1puj s ASN 41 CO 0.13 -1.21 1.95 1.55 -2.79 0.00 0.00 177.10 176.72 1puj h PRO 42 N 9.32 1.06 -0.24 0.43 0.13 -1.95 -1.37 132.00 139.38 1puj h PRO 42 Ca -0.28 -0.06 0.02 0.00 -0.87 0.00 0.00 66.00 64.81 1puj h PRO 42 Cb 1.08 -0.24 -0.02 0.00 0.13 0.00 0.00 31.00 31.95 1puj h PRO 42 CO 1.09 0.70 0.10 1.98 -0.23 0.00 0.00 178.00 181.65 1puj h MET 43 N 1.09 0.21 -0.26 0.86 4.05 -1.91 -2.31 114.93 116.66 1puj h MET 43 Ca 0.34 -0.01 -0.12 0.00 -0.28 0.00 0.00 59.70 59.62 1puj h MET 43 Cb -0.00 -0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 30.75 1puj h MET 43 CO -0.10 0.14 -0.31 0.82 0.23 0.00 0.00 176.91 177.69 1puj h ILE 44 N 0.22 1.31 -0.40 1.77 2.04 -1.83 -3.11 117.51 117.50 1puj h ILE 44 Ca 0.10 -1.50 0.07 0.00 1.00 0.00 0.00 64.86 64.53 1puj h ILE 44 Cb 0.05 1.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 1puj h ILE 44 CO -0.09 0.47 0.28 -0.33 0.00 0.00 0.00 178.15 178.48 1puj h GLU 45 N 0.40 0.25 -0.46 2.37 5.08 -1.14 -0.91 114.58 120.17 1puj h GLU 45 Ca 0.03 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1puj h GLU 45 Cb 0.89 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 1puj h GLU 45 CO 0.08 0.16 0.20 0.22 -1.00 0.00 0.00 179.01 178.67 1puj h ASP 46 N 0.26 0.58 1.45 1.42 1.82 -1.34 -0.92 116.42 119.69 1puj h ASP 46 Ca 0.18 -0.06 -0.01 0.00 -0.39 0.00 0.00 57.03 56.75 1puj h ASP 46 Cb 0.39 -0.15 -0.00 0.00 0.68 0.00 0.00 39.33 40.25 1puj h ASP 46 CO -0.04 0.52 -0.06 0.40 -1.61 0.00 0.00 179.24 178.45 1puj h ILE 47 N 0.65 0.13 -0.52 2.25 2.04 -1.25 -3.30 117.51 117.51 1puj h ILE 47 Ca 0.16 -0.92 -0.33 0.00 1.00 0.00 0.00 64.86 64.77 1puj h ILE 47 Cb 0.11 1.81 -0.14 0.00 -0.74 0.00 0.00 36.82 37.86 1puj h ILE 47 CO -0.02 0.06 0.40 0.18 0.00 0.00 0.00 178.15 178.77 1puj n LEU 48 N -3.14 6.44 -4.72 1.44 4.32 -0.35 -4.97 117.00 116.03 1puj n LEU 48 Ca 0.02 -3.36 -0.41 0.00 -0.02 0.00 0.00 56.01 52.24 1puj n LEU 48 Cb 0.45 -1.08 -0.04 0.00 -1.62 0.00 0.00 43.42 41.13 1puj n LEU 48 CO 0.32 1.28 0.56 -0.75 -1.22 0.00 0.00 177.39 177.58 1puj s LYS 49 N -1.75 4.53 0.00 3.23 2.20 -1.25 -3.89 119.74 122.82 1puj s LYS 49 Ca 0.33 1.21 0.00 0.00 -0.36 0.00 0.00 55.97 57.15 1puj s LYS 49 Cb 0.25 -3.43 0.00 0.00 -1.51 0.00 0.00 37.83 33.14 1puj s LYS 49 CO -0.02 0.06 0.00 0.09 -0.36 0.00 0.00 175.35 175.12 1puj n ASN 50 N 3.58 0.00 -4.72 1.43 3.02 -1.26 -4.99 115.26 112.33 1puj n ASN 50 Ca 0.02 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.15 1puj n ASN 50 Cb 0.51 -0.05 -0.03 0.00 -0.61 0.00 0.00 39.78 39.60 1puj n ASN 50 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1puj s LYS 51 N 0.00 4.33 0.59 3.52 2.47 -1.25 -4.96 119.74 124.44 1puj s LYS 51 Ca 0.00 2.10 -0.19 0.00 -1.56 0.00 0.00 55.97 56.32 1puj s LYS 51 Cb 0.00 -3.22 -0.05 0.00 -1.46 0.00 0.00 37.83 33.10 1puj s LYS 51 CO 0.00 -0.41 1.09 -2.30 0.16 0.00 0.00 175.35 173.90 1puj n PRO 52 N 3.58 1.10 -3.44 4.03 -0.02 -1.26 -4.81 135.00 134.18 1puj n PRO 52 Ca 0.10 0.42 -0.13 0.00 -2.02 0.00 0.00 63.50 61.88 1puj n PRO 52 Cb 0.42 -2.29 -0.03 0.00 -0.02 0.00 0.00 33.50 31.58 1puj n PRO 52 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1puj s ARG 53 N -2.84 1.22 -0.05 -0.52 1.70 -1.26 -0.61 118.95 116.59 1puj s ARG 53 Ca 0.76 -0.36 0.02 0.00 -0.47 0.00 0.00 55.73 55.68 1puj s ARG 53 Cb -0.42 0.56 0.01 0.00 -0.57 0.00 0.00 34.95 34.53 1puj s ARG 53 CO 0.47 -0.52 -0.11 0.42 -1.08 0.00 0.00 175.30 174.48 1puj s ILE 54 N -3.37 1.00 -0.20 4.99 1.01 -0.15 -4.50 121.20 119.98 1puj s ILE 54 Ca -0.00 -0.43 -0.21 0.00 0.00 0.00 0.00 60.65 60.01 1puj s ILE 54 Cb -0.01 -0.91 -0.02 0.00 0.01 0.00 0.00 42.46 41.53 1puj s ILE 54 CO -0.10 0.32 0.64 -0.32 0.00 0.00 0.00 174.94 175.48 1puj s MET 55 N 0.49 4.20 -0.37 2.79 -2.45 0.07 -1.54 119.30 122.50 1puj s MET 55 Ca -0.10 0.63 -0.07 0.00 -1.25 0.00 0.00 55.69 54.90 1puj s MET 55 Cb -0.13 -3.59 0.06 0.00 1.25 0.00 0.00 34.83 32.42 1puj s MET 55 CO 0.02 -0.27 0.16 -0.51 1.05 0.00 0.00 175.02 175.48 1puj s LEU 56 N 1.99 4.67 -0.87 4.11 1.43 0.29 -0.86 118.68 129.44 1puj s LEU 56 Ca 0.29 -1.33 -0.23 0.00 -1.03 0.00 0.00 54.13 51.82 1puj s LEU 56 Cb -0.16 -1.91 0.06 0.00 0.03 0.00 0.00 46.19 44.22 1puj s LEU 56 CO 0.10 -0.41 1.27 -0.76 0.23 0.00 0.00 176.35 176.78 1puj s LEU 57 N 1.39 3.80 0.77 1.79 1.02 0.59 -0.98 118.68 127.07 1puj s LEU 57 Ca 0.01 -1.18 -0.12 0.00 0.02 0.00 0.00 54.13 52.85 1puj s LEU 57 Cb -0.21 -2.51 0.06 0.00 0.02 0.00 0.00 46.19 43.54 1puj s LEU 57 CO 0.02 -1.52 1.14 0.21 0.02 0.00 0.00 176.35 176.22 1puj s ASN 58 N 4.19 4.84 -1.51 2.29 3.04 0.02 -0.88 114.94 126.93 1puj s ASN 58 Ca 0.37 0.94 -0.04 0.00 0.04 0.00 0.00 52.86 54.17 1puj s ASN 58 Cb -0.06 -1.56 0.01 0.00 -1.54 0.00 0.00 41.25 38.11 1puj s ASN 58 CO 0.01 -1.71 0.39 0.29 -3.04 0.00 0.00 177.10 173.04 1puj n LYS 59 N -3.22 -3.69 0.30 0.43 5.02 -0.97 -0.93 118.16 115.11 1puj n LYS 59 Ca 0.07 0.83 0.16 0.00 -2.02 0.00 0.00 58.31 57.36 1puj n LYS 59 Cb 0.59 -5.60 0.94 0.00 -0.02 0.00 0.00 35.03 30.94 1puj n LYS 59 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1puj h ALA 60 N 1.00 1.37 0.00 7.82 0.00 -1.51 -0.56 119.26 127.38 1puj h ALA 60 Ca -0.48 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1puj h ALA 60 Cb 1.34 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 1puj h ALA 60 CO 0.54 0.03 -0.04 0.38 0.00 0.00 0.00 179.25 180.17 1puj h ASP 61 N 0.00 0.00 0.25 0.00 3.04 -1.89 -2.87 116.42 114.95 1puj h ASP 61 Ca -0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1puj h ASP 61 Cb 0.07 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.36 1puj h ASP 61 CO 0.00 0.04 -0.75 0.29 -2.04 0.00 0.00 179.24 176.77 1puj n LYS 62 N -3.15 0.00 -3.61 4.15 5.02 -0.23 -4.84 118.16 115.51 1puj n LYS 62 Ca 0.00 -0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.10 1puj n LYS 62 Cb 0.32 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.81 1puj n LYS 62 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1puj s ALA 63 N -3.00 4.07 -0.25 7.82 0.00 -1.09 -1.47 121.76 127.85 1puj s ALA 63 Ca 0.09 -1.56 -0.29 0.00 0.00 0.00 0.00 51.96 50.21 1puj s ALA 63 Cb 0.17 -1.44 -0.02 0.00 0.00 0.00 0.00 23.12 21.83 1puj s ALA 63 CO 0.79 -0.03 1.49 0.34 0.00 0.00 0.00 175.76 178.35 1puj s ASP 64 N -4.10 6.50 0.27 0.00 -1.08 -1.24 -4.52 116.67 112.49 1puj s ASP 64 Ca 0.44 1.46 -0.00 0.00 -0.52 0.00 0.00 52.55 53.92 1puj s ASP 64 Cb -0.08 -2.54 0.52 0.00 -1.46 0.00 0.00 42.92 39.37 1puj s ASP 64 CO 0.29 -1.18 1.80 0.00 0.52 0.00 0.00 175.17 176.60 1puj h ALA 65 N 10.12 1.37 -0.51 3.66 0.00 -1.95 -0.09 119.26 131.87 1puj h ALA 65 Ca -0.31 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1puj h ALA 65 Cb 1.13 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1puj h ALA 65 CO 1.01 0.07 0.07 0.00 0.00 0.00 0.00 179.25 180.40 1puj h ALA 66 N 1.53 0.68 -0.49 0.00 0.00 -2.00 -1.88 119.26 117.11 1puj h ALA 66 Ca 0.47 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 1puj h ALA 66 Cb 0.55 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1puj h ALA 66 CO -0.30 0.43 -0.15 0.28 0.00 0.00 0.00 179.25 179.51 1puj h VAL 67 N 0.73 1.27 -0.81 0.00 2.07 -1.79 -2.33 116.25 115.39 1puj h VAL 67 Ca 0.15 -1.29 0.03 0.00 0.82 0.00 0.00 66.70 66.41 1puj h VAL 67 Cb 0.42 1.05 -0.05 0.00 -1.52 0.00 0.00 31.29 31.19 1puj h VAL 67 CO 0.01 0.45 0.52 0.74 0.02 0.00 0.00 177.57 179.31 1puj h THR 68 N 0.83 1.13 -0.82 2.57 2.02 -0.82 -0.53 112.91 117.29 1puj h THR 68 Ca 0.12 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 1puj h THR 68 Cb 0.70 0.03 -0.04 0.00 -1.74 0.00 0.00 68.15 67.10 1puj h THR 68 CO 0.05 0.19 0.46 -0.61 0.37 0.00 0.00 175.52 175.98 1puj h GLN 69 N 1.02 1.13 -0.54 6.66 5.75 -1.09 -0.76 115.11 127.28 1puj h GLN 69 Ca 0.32 -0.12 -0.05 0.00 -0.15 0.00 0.00 58.65 58.65 1puj h GLN 69 Cb -0.01 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 28.29 1puj h GLN 69 CO -0.11 0.82 0.14 1.96 -2.65 0.00 0.00 178.83 178.98 1puj h GLN 70 N 1.14 0.86 -0.49 1.69 1.08 -0.63 -2.03 115.11 116.73 1puj h GLN 70 Ca 0.29 -0.21 -0.08 0.00 -1.45 0.00 0.00 58.65 57.21 1puj h GLN 70 Cb 0.00 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.30 1puj h GLN 70 CO -0.05 0.81 -0.01 -1.49 -0.95 0.00 0.00 178.83 177.15 1puj h TRP 71 N 0.76 0.88 -0.50 2.96 4.06 -0.64 -1.15 115.95 122.33 1puj h TRP 71 Ca 0.17 -0.13 -0.06 0.00 2.06 0.00 0.00 58.89 60.93 1puj h TRP 71 Cb 0.33 -0.24 -0.02 0.00 -1.00 0.00 0.00 29.16 28.23 1puj h TRP 71 CO 0.02 0.81 0.08 0.87 -3.56 0.00 0.00 178.44 176.67 1puj h LYS 72 N 0.77 0.83 -0.73 0.49 1.57 -0.91 -1.08 116.57 117.50 1puj h LYS 72 Ca 0.15 -0.22 -0.05 0.00 -1.87 0.00 0.00 60.65 58.66 1puj h LYS 72 Cb 0.47 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 1puj h LYS 72 CO 0.02 0.82 0.26 0.93 -0.57 0.00 0.00 179.45 180.91 1puj h GLU 73 N 0.70 1.11 -0.42 3.15 5.08 -1.19 -0.73 114.58 122.29 1puj h GLU 73 Ca 0.15 -0.22 0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1puj h GLU 73 Cb 0.39 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 1puj h GLU 73 CO 0.01 0.93 0.23 1.25 -1.00 0.00 0.00 179.01 180.43 1puj h HIS 74 N 1.06 0.43 -0.17 4.33 2.76 -0.86 -0.14 115.15 122.56 1puj h HIS 74 Ca 0.24 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.34 1puj h HIS 74 Cb 0.26 -0.13 -0.00 0.00 1.55 0.00 0.00 27.41 29.08 1puj h HIS 74 CO 0.02 0.24 -0.24 0.74 -1.30 0.00 0.00 177.93 177.39 1puj h PHE 75 N 0.47 0.56 -0.82 5.26 0.05 -1.01 -3.18 116.94 118.27 1puj h PHE 75 Ca 0.17 -0.19 0.03 0.00 3.82 0.00 0.00 57.97 61.81 1puj h PHE 75 Cb 0.05 -0.11 -0.05 0.00 2.00 0.00 0.00 35.95 37.84 1puj h PHE 75 CO -0.08 0.87 0.53 0.93 -0.18 0.00 0.00 178.31 180.37 1puj h GLU 76 N 0.10 1.01 0.00 1.51 4.39 -0.93 -0.08 114.58 120.57 1puj h GLU 76 Ca 0.02 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1puj h GLU 76 Cb 0.81 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1puj h GLU 76 CO 0.06 0.67 0.00 0.09 -1.16 0.00 0.00 179.01 178.66 1puj n ASN 77 N -4.57 0.11 -0.93 1.42 3.02 -0.08 -0.95 115.26 113.28 1puj n ASN 77 Ca 0.10 0.54 0.10 0.00 -0.03 0.00 0.00 54.58 55.29 1puj n ASN 77 Cb 0.08 -0.56 0.15 0.00 -0.61 0.00 0.00 39.78 38.85 1puj n ASN 77 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1puj n GLN 78 N -1.64 2.15 -0.54 3.52 6.02 -0.20 -4.95 117.38 121.75 1puj n GLN 78 Ca 0.02 -1.99 0.00 0.00 -0.01 0.00 0.00 57.00 55.02 1puj n GLN 78 Cb 0.11 -1.42 0.00 0.00 1.02 0.00 0.00 30.24 29.94 1puj n GLN 78 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1puj n GLY 79 N 1.21 0.68 3.24 1.08 0.00 -0.13 -5.05 105.19 106.21 1puj n GLY 79 Ca 0.15 -0.49 -0.37 0.00 0.00 0.00 0.00 46.02 45.31 1puj n GLY 79 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1puj s ILE 80 N -2.00 3.49 0.14 -0.61 1.01 -0.29 -4.99 121.20 117.95 1puj s ILE 80 Ca 0.00 -1.22 -0.31 0.00 0.00 0.00 0.00 60.65 59.11 1puj s ILE 80 Cb 0.00 -2.98 -0.10 0.00 0.01 0.00 0.00 42.46 39.39 1puj s ILE 80 CO 0.00 -0.15 1.61 -0.13 0.00 0.00 0.00 174.94 176.27 1puj s ARG 81 N 1.35 4.20 0.02 2.79 1.81 -1.26 -2.74 118.95 125.12 1puj s ARG 81 Ca -0.03 2.37 0.05 0.00 -1.72 0.00 0.00 55.73 56.40 1puj s ARG 81 Cb -0.20 -3.28 -0.02 0.00 -0.45 0.00 0.00 34.95 31.01 1puj s ARG 81 CO 0.01 -0.65 -0.14 -1.12 -0.68 0.00 0.00 175.30 172.72 1puj s SER 82 N 1.53 1.63 -0.02 0.23 0.01 -1.26 -0.75 113.70 115.06 1puj s SER 82 Ca 0.72 -0.37 0.01 0.00 1.31 0.00 0.00 55.95 57.61 1puj s SER 82 Cb -0.43 -0.13 0.02 0.00 0.21 0.00 0.00 66.02 65.68 1puj s SER 82 CO 0.32 0.09 -0.01 -0.76 0.41 0.00 0.00 173.24 173.28 1puj s LEU 83 N -0.80 1.40 -0.16 2.44 1.43 -0.04 -4.96 118.68 117.98 1puj s LEU 83 Ca 0.03 -0.05 -0.13 0.00 -1.03 0.00 0.00 54.13 52.95 1puj s LEU 83 Cb -0.07 -0.24 -0.05 0.00 0.03 0.00 0.00 46.19 45.87 1puj s LEU 83 CO 0.01 -0.06 0.28 -0.94 0.23 0.00 0.00 176.35 175.86 1puj s SER 84 N 0.72 6.42 0.15 2.29 1.04 -1.26 -0.30 113.70 122.76 1puj s SER 84 Ca -0.08 0.49 -0.01 0.00 0.48 0.00 0.00 55.95 56.83 1puj s SER 84 Cb -0.11 -2.17 -0.04 0.00 0.10 0.00 0.00 66.02 63.80 1puj s SER 84 CO -0.01 0.12 0.08 0.27 0.98 0.00 0.00 173.24 174.68 1puj s ILE 85 N 0.40 0.07 -0.27 -1.02 -4.36 -0.06 -4.58 121.20 111.38 1puj s ILE 85 Ca 0.16 -1.93 0.01 0.00 -0.26 0.00 0.00 60.65 58.62 1puj s ILE 85 Cb -0.13 -2.18 0.08 0.00 1.25 0.00 0.00 42.46 41.48 1puj s ILE 85 CO 0.03 -0.32 0.02 0.21 0.24 0.00 0.00 174.94 175.12 1puj s ASN 86 N -3.08 4.00 0.35 4.36 3.84 -0.28 -1.82 114.94 122.30 1puj s ASN 86 Ca 0.29 -1.47 0.27 0.00 0.21 0.00 0.00 52.86 52.15 1puj s ASN 86 Cb 0.07 -1.12 0.99 0.00 -0.55 0.00 0.00 41.25 40.64 1puj s ASN 86 CO 0.05 -0.32 1.79 0.28 -2.79 0.00 0.00 177.10 176.10 1puj h SER 87 N 7.95 0.00 0.03 -4.21 0.02 -1.93 0.06 113.55 115.47 1puj h SER 87 Ca -0.14 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.73 1puj h SER 87 Cb 1.05 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.60 1puj h SER 87 CO 0.44 0.00 -0.34 0.58 -1.14 0.00 0.00 176.83 176.38 1puj h VAL 88 N 0.00 1.58 -0.01 2.27 2.07 -1.94 -3.38 116.25 116.84 1puj h VAL 88 Ca 0.00 -2.16 0.00 0.00 0.82 0.00 0.00 66.70 65.36 1puj h VAL 88 Cb 0.54 2.98 0.00 0.00 -1.52 0.00 0.00 31.29 33.28 1puj h VAL 88 CO 0.00 0.59 -0.46 0.59 0.02 0.00 0.00 177.57 178.32 1puj n ASN 89 N -4.43 1.56 0.00 0.57 3.02 -1.23 -5.00 115.26 109.75 1puj n ASN 89 Ca -0.11 -1.28 0.00 0.00 -0.03 0.00 0.00 54.58 53.16 1puj n ASN 89 Cb 0.58 0.57 0.00 0.00 -0.61 0.00 0.00 39.78 40.32 1puj n ASN 89 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1puj n GLY 90 N 1.26 0.51 3.67 7.41 0.00 -0.01 -5.03 105.19 113.00 1puj n GLY 90 Ca 0.07 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.53 1puj n GLY 90 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1puj n GLN 91 N -2.00 1.29 -0.37 1.61 -0.06 -1.11 -1.46 117.38 115.29 1puj n GLN 91 Ca 0.00 0.46 0.00 0.00 -2.00 0.00 0.00 57.00 55.46 1puj n GLN 91 Cb 0.00 -2.22 0.00 0.00 -4.06 0.00 0.00 30.24 23.96 1puj n GLN 91 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1puj n GLY 92 N 4.57 1.98 0.28 1.69 0.00 -1.26 -1.13 105.19 111.31 1puj n GLY 92 Ca 0.28 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.47 1puj n GLY 92 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1puj h LEU 93 N 0.00 0.00 0.00 0.99 3.38 -1.58 -2.47 115.31 115.63 1puj h LEU 93 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1puj h LEU 93 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1puj h LEU 93 CO 0.00 0.04 0.00 -0.46 0.09 0.00 0.00 178.44 178.11 1puj n ASN 94 N -3.16 0.00 0.00 -0.43 6.94 -1.26 -2.62 115.26 114.73 1puj n ASN 94 Ca -0.00 0.02 0.10 0.00 -0.02 0.00 0.00 54.58 54.68 1puj n ASN 94 Cb 0.29 -0.29 -0.09 0.00 -2.36 0.00 0.00 39.78 37.33 1puj n ASN 94 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1puj n GLN 95 N -1.29 0.15 0.21 -3.83 1.13 -0.93 -4.50 117.38 108.31 1puj n GLN 95 Ca 0.09 -0.03 -0.15 0.00 -1.94 0.00 0.00 57.00 54.97 1puj n GLN 95 Cb 0.16 -1.51 -0.08 0.00 0.11 0.00 0.00 30.24 28.92 1puj n GLN 95 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1puj h ILE 96 N 0.00 0.63 -0.31 5.09 2.04 -1.64 -1.75 117.51 121.57 1puj h ILE 96 Ca 0.00 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 1puj h ILE 96 Cb 0.61 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 1puj h ILE 96 CO 0.00 0.05 0.14 0.58 0.00 0.00 0.00 178.15 178.92 1puj h VAL 97 N -0.65 1.16 -0.39 1.67 2.07 -1.80 -0.57 116.25 117.74 1puj h VAL 97 Ca -0.05 -0.47 0.04 0.00 0.82 0.00 0.00 66.70 67.04 1puj h VAL 97 Cb 0.47 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 1puj h VAL 97 CO 0.09 0.17 0.14 -0.65 0.02 0.00 0.00 177.57 177.34 1puj h PRO 98 N 0.36 0.30 -0.64 1.57 0.11 -1.79 -1.18 132.00 130.74 1puj h PRO 98 Ca 0.10 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.20 1puj h PRO 98 Cb 0.14 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.15 1puj h PRO 98 CO -0.01 0.20 0.39 0.00 -0.21 0.00 0.00 178.00 178.37 1puj h ALA 99 N 1.24 0.81 -0.98 -0.75 0.00 -1.16 -2.45 119.26 115.98 1puj h ALA 99 Ca 0.18 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1puj h ALA 99 Cb 0.15 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 1puj h ALA 99 CO -0.17 0.28 0.65 0.77 0.00 0.00 0.00 179.25 180.78 1puj h SER 100 N 0.87 1.12 -0.37 0.00 0.02 -0.47 -1.58 113.55 113.14 1puj h SER 100 Ca 0.23 -0.03 -0.12 0.00 -0.84 0.00 0.00 61.79 61.03 1puj h SER 100 Cb -0.04 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.21 1puj h SER 100 CO -0.04 0.81 -0.20 0.11 -1.14 0.00 0.00 176.83 176.37 1puj h LYS 101 N 1.32 0.86 -0.38 3.45 1.57 -1.00 -1.84 116.57 120.56 1puj h LYS 101 Ca 0.36 -0.35 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 1puj h LYS 101 Cb -0.14 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 1puj h LYS 101 CO -0.08 0.98 -0.01 0.93 -0.57 0.00 0.00 179.45 180.71 1puj h GLU 102 N 0.76 0.67 -0.59 3.15 5.08 -1.02 0.52 114.58 123.15 1puj h GLU 102 Ca 0.11 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.19 1puj h GLU 102 Cb 0.73 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.90 1puj h GLU 102 CO 0.06 0.78 0.15 0.82 -1.00 0.00 0.00 179.01 179.81 1puj h ILE 103 N 0.49 1.24 -0.24 3.13 2.04 -1.21 -2.86 117.51 120.10 1puj h ILE 103 Ca 0.11 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 65.11 1puj h ILE 103 Cb 0.48 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1puj h ILE 103 CO 0.02 0.32 0.00 0.18 0.00 0.00 0.00 178.15 178.68 1puj n LEU 104 N -4.26 2.59 -0.13 1.44 4.77 -0.70 -4.54 117.00 116.17 1puj n LEU 104 Ca 0.04 -1.06 -0.04 0.00 -0.03 0.00 0.00 56.01 54.92 1puj n LEU 104 Cb 0.23 -0.15 0.02 0.00 -2.33 0.00 0.00 43.42 41.19 1puj n LEU 104 CO 0.41 0.53 0.77 -0.61 -1.33 0.00 0.00 177.39 177.16 1puj h GLN 105 N 3.49 -0.02 -0.29 3.23 4.15 -0.64 -0.33 115.11 124.69 1puj h GLN 105 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 1puj h GLN 105 Cb 0.76 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.44 1puj h GLN 105 CO 0.00 -0.01 0.16 1.49 -1.93 0.00 0.00 178.83 178.54 1puj h GLU 106 N -0.02 0.41 0.36 1.69 4.81 -1.81 0.98 114.58 121.00 1puj h GLU 106 Ca 0.21 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1puj h GLU 106 Cb 0.34 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.64 1puj h GLU 106 CO -0.46 0.35 -0.21 -0.22 -0.73 0.00 0.00 179.01 177.74 1puj h LYS 107 N 0.35 -0.53 -0.56 1.92 3.64 -1.75 -1.52 116.57 118.12 1puj h LYS 107 Ca 0.10 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1puj h LYS 107 Cb 0.06 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 1puj h LYS 107 CO -0.02 -0.35 0.36 0.74 -2.27 0.00 0.00 179.45 177.91 1puj h PHE 108 N -0.55 0.72 -0.35 1.91 -1.00 -1.01 -1.37 116.94 115.30 1puj h PHE 108 Ca -0.04 0.01 -0.02 0.00 2.81 0.00 0.00 57.97 60.73 1puj h PHE 108 Cb 0.45 -0.24 -0.02 0.00 3.61 0.00 0.00 35.95 39.75 1puj h PHE 108 CO -0.09 0.47 0.11 -0.44 -1.61 0.00 0.00 178.31 176.76 1puj h ASP 109 N 0.76 0.45 -0.38 2.17 3.32 -0.70 0.13 116.42 122.16 1puj h ASP 109 Ca 0.20 -0.05 -0.14 0.00 0.02 0.00 0.00 57.03 57.07 1puj h ASP 109 Cb -0.06 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 1puj h ASP 109 CO -0.04 0.43 -0.30 -0.09 -1.72 0.00 0.00 179.24 177.52 1puj h ARG 110 N 0.49 0.88 -0.35 3.56 2.43 -0.73 -1.85 114.38 118.81 1puj h ARG 110 Ca 0.12 -0.43 -0.05 0.00 -0.81 0.00 0.00 59.98 58.81 1puj h ARG 110 Cb 0.14 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 1puj h ARG 110 CO -0.01 1.08 0.03 0.52 -1.51 0.00 0.00 179.97 180.08 1puj h MET 111 N 0.69 0.60 -0.51 0.20 2.86 -0.67 -2.69 114.93 115.40 1puj h MET 111 Ca 0.07 -0.18 0.03 0.00 -2.06 0.00 0.00 59.70 57.57 1puj h MET 111 Cb 0.88 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.44 1puj h MET 111 CO 0.08 0.69 0.29 0.00 1.06 0.00 0.00 176.91 179.04 1puj h ARG 112 N 0.42 0.57 0.00 1.72 3.08 -0.92 -1.40 114.38 117.85 1puj h ARG 112 Ca 0.10 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 1puj h ARG 112 Cb 0.40 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 1puj h ARG 112 CO 0.01 0.37 -0.04 0.00 -1.07 0.00 0.00 179.97 179.25 1puj h ALA 113 N 1.24 1.11 -0.02 0.04 0.00 -1.23 -1.52 119.26 118.88 1puj h ALA 113 Ca 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1puj h ALA 113 Cb 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1puj h ALA 113 CO -0.11 0.05 -0.01 1.63 0.00 0.00 0.00 179.25 180.81 1puj n LYS 114 N -3.29 1.74 0.00 0.00 5.02 -0.61 -4.94 118.16 116.08 1puj n LYS 114 Ca -0.02 -1.10 0.00 0.00 -2.02 0.00 0.00 58.31 55.18 1puj n LYS 114 Cb 0.19 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 1puj n LYS 114 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1puj n GLY 115 N 1.21 0.35 3.57 0.72 0.00 -0.57 -5.06 105.19 105.41 1puj n GLY 115 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1puj n GLY 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1puj s VAL 116 N -2.00 4.82 0.62 1.61 1.01 -0.69 -5.00 120.40 120.77 1puj s VAL 116 Ca 0.00 0.62 -0.19 0.00 0.00 0.00 0.00 61.98 62.42 1puj s VAL 116 Cb 0.00 -4.15 -0.02 0.00 0.00 0.00 0.00 36.38 32.21 1puj s VAL 116 CO 0.00 -0.41 1.27 -0.54 0.00 0.00 0.00 175.10 175.42 1puj s LYS 117 N 2.88 2.74 0.47 2.72 1.02 -1.26 -3.37 119.74 124.95 1puj s LYS 117 Ca 0.27 1.98 -0.24 0.00 0.02 0.00 0.00 55.97 58.00 1puj s LYS 117 Cb -0.14 -1.90 -0.07 0.00 -0.52 0.00 0.00 37.83 35.20 1puj s LYS 117 CO 0.16 -1.43 1.31 -1.25 -0.92 0.00 0.00 175.35 173.22 1puj s PRO 118 N -3.33 3.60 0.30 -1.68 0.04 -1.26 -4.96 135.00 127.71 1puj s PRO 118 Ca 0.80 2.13 0.04 0.00 0.04 0.00 0.00 61.00 64.01 1puj s PRO 118 Cb -0.35 -2.49 -0.06 0.00 0.04 0.00 0.00 34.50 31.63 1puj s PRO 118 CO 0.37 -0.78 0.04 0.50 0.04 0.00 0.00 177.00 177.17 1puj s ARG 119 N -2.60 1.59 0.30 4.56 3.52 -1.26 -5.11 118.95 119.95 1puj s ARG 119 Ca 0.64 -1.86 -0.29 0.00 -0.13 0.00 0.00 55.73 54.09 1puj s ARG 119 Cb -0.37 -0.85 -0.10 0.00 -1.56 0.00 0.00 34.95 32.06 1puj s ARG 119 CO 0.46 -0.15 1.40 0.00 -0.81 0.00 0.00 175.30 176.21 1puj s ALA 120 N -3.29 3.58 0.28 6.12 0.00 -1.26 -4.92 121.76 122.27 1puj s ALA 120 Ca 0.35 1.35 -0.30 0.00 0.00 0.00 0.00 51.96 53.35 1puj s ALA 120 Cb 0.08 -3.54 -0.12 0.00 0.00 0.00 0.00 23.12 19.54 1puj s ALA 120 CO 0.14 -0.76 1.52 -0.89 0.00 0.00 0.00 175.76 175.76 1puj n ILE 121 N 1.48 1.10 -3.85 0.00 5.41 -0.50 -4.71 119.36 118.30 1puj n ILE 121 Ca 0.03 -0.28 -0.36 0.00 1.00 0.00 0.00 62.75 63.15 1puj n ILE 121 Cb 0.41 -1.79 -0.13 0.00 -0.71 0.00 0.00 39.64 37.41 1puj n ILE 121 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 1puj s ARG 122 N -0.63 3.07 0.10 0.38 0.52 -1.26 -0.19 118.95 120.95 1puj s ARG 122 Ca 0.64 -0.85 0.10 0.00 -0.52 0.00 0.00 55.73 55.11 1puj s ARG 122 Cb -0.55 -3.19 -0.04 0.00 0.52 0.00 0.00 34.95 31.70 1puj s ARG 122 CO 0.50 -0.38 -0.25 0.00 0.02 0.00 0.00 175.30 175.19 1puj s ALA 123 N 1.44 2.20 -0.14 2.13 0.00 -0.38 0.68 121.76 127.69 1puj s ALA 123 Ca 0.02 -1.36 -0.04 0.00 0.00 0.00 0.00 51.96 50.59 1puj s ALA 123 Cb -0.16 -0.37 -0.03 0.00 0.00 0.00 0.00 23.12 22.56 1puj s ALA 123 CO -0.01 0.49 -0.03 -1.17 0.00 0.00 0.00 175.76 175.05 1puj s LEU 124 N -1.83 3.34 -0.30 0.00 2.96 -0.37 -1.67 118.68 120.81 1puj s LEU 124 Ca 0.12 -0.07 -0.12 0.00 -0.22 0.00 0.00 54.13 53.84 1puj s LEU 124 Cb -0.10 -1.80 -0.04 0.00 0.50 0.00 0.00 46.19 44.75 1puj s LEU 124 CO 0.05 0.21 0.22 -0.63 -1.32 0.00 0.00 176.35 174.87 1puj s ILE 125 N 0.15 5.29 0.15 6.68 -1.09 -0.56 0.44 121.20 132.26 1puj s ILE 125 Ca -0.01 0.06 0.05 0.00 -2.23 0.00 0.00 60.65 58.53 1puj s ILE 125 Cb -0.13 -3.60 -0.04 0.00 -1.58 0.00 0.00 42.46 37.10 1puj s ILE 125 CO 0.02 0.16 -0.12 0.27 -1.23 0.00 0.00 174.94 174.05 1puj s ILE 126 N 1.77 1.29 0.00 2.92 -4.36 -0.81 -3.38 121.20 118.62 1puj s ILE 126 Ca 0.07 -2.01 0.00 0.00 -0.26 0.00 0.00 60.65 58.45 1puj s ILE 126 Cb -0.16 -1.81 0.00 0.00 1.25 0.00 0.00 42.46 41.74 1puj s ILE 126 CO 0.11 -0.65 0.00 0.61 0.24 0.00 0.00 174.94 175.24 1puj n GLY 127 N -0.07 2.75 3.72 6.27 0.00 -1.26 -1.14 105.19 115.46 1puj n GLY 127 Ca -0.11 -1.03 -0.31 0.00 0.00 0.00 0.00 46.02 44.58 1puj n GLY 127 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1puj s ILE 128 N -2.00 2.74 0.40 -0.61 -4.36 -1.26 -2.64 121.20 113.48 1puj s ILE 128 Ca 0.00 0.24 -0.25 0.00 -0.26 0.00 0.00 60.65 60.38 1puj s ILE 128 Cb 0.00 -2.55 -0.11 0.00 1.25 0.00 0.00 42.46 41.06 1puj s ILE 128 CO 0.00 -0.31 1.16 -2.65 0.24 0.00 0.00 174.94 173.37 1puj n PRO 129 N -3.89 1.69 -1.16 0.37 -0.02 -1.26 -2.68 135.00 128.05 1puj n PRO 129 Ca 0.09 0.60 -0.05 0.00 -2.02 0.00 0.00 63.50 62.12 1puj n PRO 129 Cb 0.53 -2.21 -0.02 0.00 -0.02 0.00 0.00 33.50 31.78 1puj n PRO 129 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1puj n ASN 130 N 0.45 -5.25 0.21 2.55 2.85 -1.26 -4.49 115.26 110.32 1puj n ASN 130 Ca 0.08 0.14 0.15 0.00 -0.11 0.00 0.00 54.58 54.83 1puj n ASN 130 Cb 0.38 -3.23 0.51 0.00 1.24 0.00 0.00 39.78 38.68 1puj n ASN 130 CO 0.00 0.00 0.00 1.62 -2.11 0.00 0.00 177.26 176.77 1puj h VAL 131 N 0.00 0.00 0.00 3.44 3.04 -1.87 -3.47 116.25 117.39 1puj h VAL 131 Ca -0.11 -0.55 0.00 0.00 -1.01 0.00 0.00 66.70 65.03 1puj h VAL 131 Cb 0.89 1.49 0.00 0.00 -2.01 0.00 0.00 31.29 31.66 1puj h VAL 131 CO 0.16 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.33 1puj n GLY 132 N 0.39 1.61 0.20 3.17 0.00 -1.26 -4.76 105.19 104.54 1puj n GLY 132 Ca 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.00 1puj n GLY 132 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1puj h LYS 133 N 0.00 0.47 -0.40 1.61 1.57 -1.91 -1.66 116.57 116.26 1puj h LYS 133 Ca 0.00 -0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.62 1puj h LYS 133 Cb 0.00 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1puj h LYS 133 CO 0.00 0.31 -0.28 0.77 -0.57 0.00 0.00 179.45 179.68 1puj h SER 134 N 0.49 0.94 -0.26 0.86 0.02 -1.94 -2.37 113.55 111.28 1puj h SER 134 Ca 0.22 -0.43 0.03 0.00 -0.84 0.00 0.00 61.79 60.76 1puj h SER 134 Cb 0.14 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.39 1puj h SER 134 CO -0.16 1.17 0.09 0.74 -1.14 0.00 0.00 176.83 177.54 1puj h THR 135 N 0.72 0.94 -0.37 -2.27 2.02 -1.85 -0.13 112.91 111.98 1puj h THR 135 Ca 0.08 -0.07 0.02 0.00 0.77 0.00 0.00 66.41 67.21 1puj h THR 135 Cb 0.86 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.95 1puj h THR 135 CO 0.08 0.04 0.19 0.25 0.37 0.00 0.00 175.52 176.44 1puj h LEU 136 N 0.21 0.28 -0.15 2.58 5.85 -1.27 -0.40 115.31 122.42 1puj h LEU 136 Ca 0.11 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 1puj h LEU 136 Cb 0.07 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1puj h LEU 136 CO -0.11 0.21 0.09 0.40 -0.34 0.00 0.00 178.44 178.68 1puj h ILE 137 N 0.39 1.08 -0.87 4.05 2.04 -1.05 -0.04 117.51 123.10 1puj h ILE 137 Ca 0.15 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1puj h ILE 137 Cb 0.05 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 1puj h ILE 137 CO -0.10 0.07 0.55 0.78 0.00 0.00 0.00 178.15 179.45 1puj h ASN 138 N 0.16 1.03 0.08 1.72 2.35 -0.81 0.22 115.58 120.31 1puj h ASN 138 Ca 0.05 -0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1puj h ASN 138 Cb 0.04 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.15 1puj h ASN 138 CO -0.01 0.77 -0.04 -0.09 -1.65 0.00 0.00 177.43 176.41 1puj h ARG 139 N 1.19 -0.10 -0.34 0.81 9.65 -0.84 0.93 114.38 125.68 1puj h ARG 139 Ca 0.32 0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 59.20 1puj h ARG 139 Cb -0.09 0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.50 1puj h ARG 139 CO -0.06 0.18 0.20 -0.07 2.80 0.00 0.00 179.97 183.02 1puj h LEU 140 N -0.38 0.40 -0.29 3.80 3.38 -0.77 -2.31 115.31 119.15 1puj h LEU 140 Ca -0.01 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1puj h LEU 140 Cb 0.32 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1puj h LEU 140 CO 0.02 0.33 0.00 0.00 0.09 0.00 0.00 178.44 178.88 1puj n ALA 141 N -2.21 1.88 -3.72 1.53 0.00 0.74 -4.83 120.51 113.90 1puj n ALA 141 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 1puj n ALA 141 Cb 0.05 -1.38 0.05 0.00 0.00 0.00 0.00 19.45 18.17 1puj n ALA 141 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1puj n LYS 142 N -1.97 -6.18 -3.57 0.00 5.02 0.26 -4.93 118.16 106.80 1puj n LYS 142 Ca 0.04 0.70 -0.11 0.00 -2.02 0.00 0.00 58.31 56.92 1puj n LYS 142 Cb 0.27 -5.57 -0.05 0.00 -0.02 0.00 0.00 35.03 29.66 1puj n LYS 142 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1puj s LYS 143 N -6.22 0.65 -0.98 1.97 -2.85 -0.83 -5.05 119.74 106.43 1puj s LYS 143 Ca 0.40 0.11 -0.21 0.00 -1.00 0.00 0.00 55.97 55.26 1puj s LYS 143 Cb -0.19 0.30 0.09 0.00 -2.06 0.00 0.00 37.83 35.97 1puj s LYS 143 CO 0.79 -0.21 1.31 -0.80 0.10 0.00 0.00 175.35 176.53 1puj s ASN 144 N -1.26 6.56 -0.07 0.03 0.01 -1.26 -4.44 114.94 114.50 1puj s ASN 144 Ca -0.02 -1.72 0.09 0.00 -0.71 0.00 0.00 52.86 50.51 1puj s ASN 144 Cb -0.00 -2.49 -0.13 0.00 0.41 0.00 0.00 41.25 39.03 1puj s ASN 144 CO 0.01 -1.31 0.09 0.00 -1.51 0.00 0.00 177.10 174.38 1puj n ILE 145 N 6.27 0.48 -4.16 0.60 0.13 -1.26 -5.14 119.36 116.28 1puj n ILE 145 Ca 0.29 -0.36 -0.30 0.00 -1.10 0.00 0.00 62.75 61.28 1puj n ILE 145 Cb 0.50 -0.47 -0.08 0.00 -0.84 0.00 0.00 39.64 38.75 1puj n ILE 145 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1puj s ALA 146 N -2.36 3.25 0.00 1.51 0.00 -1.26 -5.12 121.76 117.77 1puj s ALA 146 Ca -0.04 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 50.80 1puj s ALA 146 Cb 0.04 -1.17 0.00 0.00 0.00 0.00 0.00 23.12 21.99 1puj s ALA 146 CO 0.40 0.69 0.00 0.00 0.00 0.00 0.00 175.76 176.85 1puj n GLN 159 N 0.66 0.00 -2.51 0.00 0.00 -1.26 -4.88 117.38 109.39 1puj n GLN 159 Ca -0.11 0.00 -0.06 0.00 0.00 0.00 0.00 57.00 56.83 1puj n GLN 159 Cb 0.52 0.00 0.01 0.00 0.00 0.00 0.00 30.24 30.77 1puj n GLN 159 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.06 177.97 1puj n TRP 160 N -1.92 -2.65 -3.07 2.61 5.03 -1.17 -4.99 117.44 111.28 1puj n TRP 160 Ca 0.00 1.07 -0.41 0.00 3.03 0.00 0.00 57.50 61.20 1puj n TRP 160 Cb 0.00 -3.46 -0.06 0.00 -1.03 0.00 0.00 31.31 26.77 1puj n TRP 160 CO 0.00 0.00 0.00 0.08 -0.03 0.00 0.00 177.69 177.74 1puj s VAL 161 N -2.18 4.98 0.13 -0.99 1.01 0.18 -4.83 120.40 118.71 1puj s VAL 161 Ca 0.18 1.25 -0.27 0.00 0.00 0.00 0.00 61.98 63.14 1puj s VAL 161 Cb -0.05 -3.98 -0.07 0.00 0.00 0.00 0.00 36.38 32.28 1puj s VAL 161 CO 0.58 0.06 0.84 -0.54 0.00 0.00 0.00 175.10 176.04 1puj s LYS 162 N 2.21 4.62 -0.47 2.72 1.02 -1.26 -0.16 119.74 128.42 1puj s LYS 162 Ca 0.29 1.25 0.03 0.00 0.02 0.00 0.00 55.97 57.56 1puj s LYS 162 Cb -0.16 -3.31 0.15 0.00 -0.52 0.00 0.00 37.83 33.99 1puj s LYS 162 CO 0.10 0.42 0.30 0.08 -0.92 0.00 0.00 175.35 175.32 1puj s VAL 163 N -0.63 1.36 0.00 3.17 1.01 -0.35 -4.65 120.40 120.31 1puj s VAL 163 Ca 0.40 -2.80 0.00 0.00 0.00 0.00 0.00 61.98 59.58 1puj s VAL 163 Cb -0.23 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.21 1puj s VAL 163 CO 0.27 -0.98 0.00 0.61 0.00 0.00 0.00 175.10 175.00 1puj n GLY 164 N 3.19 0.69 0.23 4.51 0.00 -1.26 -2.78 105.19 109.77 1puj n GLY 164 Ca 0.15 -0.84 0.05 0.00 0.00 0.00 0.00 46.02 45.37 1puj n GLY 164 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1puj n LYS 165 N 6.98 2.53 -0.00 1.61 4.01 -1.26 -4.63 118.16 127.40 1puj n LYS 165 Ca 0.00 -2.02 0.01 0.00 -0.51 0.00 0.00 58.31 55.79 1puj n LYS 165 Cb 0.00 -1.27 -0.02 0.00 -0.51 0.00 0.00 35.03 33.23 1puj n LYS 165 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1puj n GLU 166 N -0.56 3.07 -3.92 1.97 1.02 -1.24 -4.68 120.64 116.31 1puj n GLU 166 Ca 0.09 -0.01 -0.10 0.00 -0.02 0.00 0.00 57.16 57.11 1puj n GLU 166 Cb 0.45 -0.84 -0.11 0.00 -0.02 0.00 0.00 31.44 30.92 1puj n GLU 166 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1puj s LEU 167 N -2.65 1.93 -0.04 -4.62 2.96 -1.12 -1.40 118.68 113.73 1puj s LEU 167 Ca -0.00 -0.25 0.01 0.00 -0.22 0.00 0.00 54.13 53.67 1puj s LEU 167 Cb 0.02 0.29 0.02 0.00 0.50 0.00 0.00 46.19 47.01 1puj s LEU 167 CO 0.09 -0.24 -0.03 -1.61 -1.32 0.00 0.00 176.35 173.24 1puj s GLU 168 N -1.04 0.73 0.15 1.98 2.02 0.74 -1.22 118.70 122.06 1puj s GLU 168 Ca -0.11 -0.06 0.09 0.00 0.02 0.00 0.00 54.97 54.91 1puj s GLU 168 Cb -0.07 -0.79 -0.04 0.00 0.10 0.00 0.00 34.13 33.33 1puj s GLU 168 CO -0.00 -0.11 -0.13 -0.51 0.02 0.00 0.00 175.26 174.53 1puj s LEU 169 N 1.01 2.86 -0.11 1.80 1.43 0.78 -1.25 118.68 125.21 1puj s LEU 169 Ca -0.10 -0.57 0.01 0.00 -1.03 0.00 0.00 54.13 52.45 1puj s LEU 169 Cb -0.14 -1.61 0.02 0.00 0.03 0.00 0.00 46.19 44.48 1puj s LEU 169 CO -0.01 0.14 -0.15 -0.76 0.23 0.00 0.00 176.35 175.80 1puj s LEU 170 N -2.54 1.70 0.05 1.79 1.43 -0.67 0.51 118.68 120.96 1puj s LEU 170 Ca 0.22 -0.43 -0.07 0.00 -1.03 0.00 0.00 54.13 52.82 1puj s LEU 170 Cb -0.10 -1.09 -0.05 0.00 0.03 0.00 0.00 46.19 44.98 1puj s LEU 170 CO 0.13 0.00 0.32 -0.62 0.23 0.00 0.00 176.35 176.42 1puj s ASP 171 N 1.07 6.53 0.07 2.29 2.15 -1.26 -1.50 116.67 126.01 1puj s ASP 171 Ca -0.05 0.62 0.05 0.00 0.43 0.00 0.00 52.55 53.59 1puj s ASP 171 Cb -0.15 -2.11 -0.03 0.00 -0.30 0.00 0.00 42.92 40.34 1puj s ASP 171 CO -0.03 0.19 -0.13 0.42 -0.17 0.00 0.00 175.17 175.45 1puj s THR 172 N -1.40 1.00 0.61 1.71 -4.23 -1.22 -4.79 115.64 107.33 1puj s THR 172 Ca 0.32 -1.29 -0.17 0.00 -1.18 0.00 0.00 61.69 59.37 1puj s THR 172 Cb -0.13 -1.01 -0.03 0.00 1.34 0.00 0.00 72.50 72.67 1puj s THR 172 CO 0.19 -0.27 1.12 -2.16 -0.54 0.00 0.00 174.62 172.95 1puj s PRO 173 N -1.79 3.06 0.32 3.99 0.04 -1.26 -4.87 135.00 134.49 1puj s PRO 173 Ca -0.03 1.47 -0.29 0.00 0.04 0.00 0.00 61.00 62.19 1puj s PRO 173 Cb -0.10 -1.98 -0.12 0.00 0.04 0.00 0.00 34.50 32.35 1puj s PRO 173 CO 0.02 -1.06 1.49 0.41 0.04 0.00 0.00 177.00 177.90 1puj n GLY 174 N -0.26 1.11 3.00 0.56 0.00 -1.26 -4.79 105.19 103.54 1puj n GLY 174 Ca 0.11 0.40 -0.16 0.00 0.00 0.00 0.00 46.02 46.37 1puj n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1puj s ILE 175 N -0.48 0.52 0.00 -0.61 1.01 -1.08 -4.56 121.20 115.99 1puj s ILE 175 Ca 0.60 -0.45 0.00 0.00 0.00 0.00 0.00 60.65 60.81 1puj s ILE 175 Cb -0.52 -0.47 0.00 0.00 0.01 0.00 0.00 42.46 41.48 1puj s ILE 175 CO 0.55 0.03 0.00 0.18 0.00 0.00 0.00 174.94 175.70 1puj n LEU 176 N 2.61 0.00 -3.77 2.97 4.77 -1.26 -3.98 117.00 118.34 1puj n LEU 176 Ca -0.15 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.70 1puj n LEU 176 Cb 0.57 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.57 1puj n LEU 176 CO 0.24 0.00 -0.00 -1.66 -1.33 0.00 0.00 177.39 174.64 1puj s TRP 177 N 1.81 -0.19 0.00 -1.77 -2.14 -1.26 -4.89 118.94 110.51 1puj s TRP 177 Ca 0.00 0.32 0.00 0.00 2.66 0.00 0.00 56.10 59.08 1puj s TRP 177 Cb 0.00 0.09 0.00 0.00 -3.10 0.00 0.00 33.47 30.46 1puj s TRP 177 CO 0.00 -0.35 0.61 -2.30 -2.66 0.00 0.00 176.95 172.25 1puj n PRO 178 N 1.55 0.00 -2.30 3.25 -0.02 -1.26 -3.94 135.00 132.28 1puj n PRO 178 Ca -0.20 0.47 -0.43 0.00 -2.02 0.00 0.00 63.50 61.32 1puj n PRO 178 Cb 0.56 -1.11 0.00 0.00 -0.02 0.00 0.00 33.50 32.94 1puj n PRO 178 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1puj n LYS 179 N -1.26 3.20 -0.69 -0.52 5.02 -1.26 -4.48 118.16 118.16 1puj n LYS 179 Ca 0.00 -3.20 0.08 0.00 -2.02 0.00 0.00 58.31 53.17 1puj n LYS 179 Cb 0.00 -3.23 0.34 0.00 -0.02 0.00 0.00 35.03 32.12 1puj n LYS 179 CO 0.00 0.00 0.00 1.97 -0.52 0.00 0.00 177.40 178.85 1puj n PHE 180 N 6.19 1.57 -0.45 2.13 1.16 -1.25 -4.75 117.46 122.05 1puj n PHE 180 Ca 0.46 -0.78 0.34 0.00 -1.87 0.00 0.00 57.45 55.60 1puj n PHE 180 Cb 0.41 -0.41 0.52 0.00 -1.61 0.00 0.00 39.48 38.39 1puj n PHE 180 CO 0.00 0.00 0.00 -0.85 -1.87 0.00 0.00 176.76 174.04 1puj n GLU 181 N 0.19 -0.00 -1.56 3.97 0.28 -1.26 -4.38 120.64 117.87 1puj n GLU 181 Ca 0.25 0.70 -0.42 0.00 -0.16 0.00 0.00 57.16 57.52 1puj n GLU 181 Cb 1.05 -1.59 -0.04 0.00 1.43 0.00 0.00 31.44 32.29 1puj n GLU 181 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1puj n ASP 182 N -3.26 2.74 -0.21 -1.84 -0.08 -1.26 -4.79 116.55 107.84 1puj n ASP 182 Ca 0.28 0.03 0.23 0.00 -1.51 0.00 0.00 54.79 53.82 1puj n ASP 182 Cb 1.27 -1.50 0.60 0.00 2.34 0.00 0.00 41.12 43.82 1puj n ASP 182 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1puj h GLU 183 N 15.92 0.24 -0.45 -0.67 4.81 -2.00 -0.23 114.58 132.19 1puj h GLU 183 Ca -0.33 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 58.82 1puj h GLU 183 Cb 1.26 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 1puj h GLU 183 CO 1.04 0.16 0.03 1.25 -0.73 0.00 0.00 179.01 180.75 1puj h LEU 184 N 0.24 0.76 -0.75 1.64 5.85 -1.91 -0.49 115.31 120.64 1puj h LEU 184 Ca 0.45 -0.29 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 1puj h LEU 184 Cb 1.38 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.17 1puj h LEU 184 CO -0.12 0.86 0.27 0.58 -0.34 0.00 0.00 178.44 179.70 1puj h VAL 185 N 0.63 1.26 -0.58 1.05 2.07 -1.36 -1.75 116.25 117.57 1puj h VAL 185 Ca 0.13 -0.85 -0.03 0.00 0.82 0.00 0.00 66.70 66.77 1puj h VAL 185 Cb 0.46 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1puj h VAL 185 CO 0.02 0.34 0.25 1.23 0.02 0.00 0.00 177.57 179.43 1puj h GLY 186 N 1.10 0.92 1.33 2.17 0.00 -1.03 -1.76 103.07 105.80 1puj h GLY 186 Ca 0.25 -0.48 -0.07 0.00 0.00 0.00 0.00 47.33 47.03 1puj h GLY 186 CO -0.02 0.46 0.04 1.41 0.00 0.00 0.00 176.54 178.43 1puj h LEU 187 N 0.79 0.78 -0.54 3.11 3.38 -0.85 -0.22 115.31 121.77 1puj h LEU 187 Ca 0.20 -0.18 -0.13 0.00 0.09 0.00 0.00 57.88 57.86 1puj h LEU 187 Cb 0.17 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1puj h LEU 187 CO -0.02 0.82 -0.23 0.03 0.09 0.00 0.00 178.44 179.14 1puj h ARG 188 N 0.77 0.94 -0.40 1.13 3.08 -1.10 -0.80 114.38 118.01 1puj h ARG 188 Ca 0.16 -0.40 -0.11 0.00 0.07 0.00 0.00 59.98 59.69 1puj h ARG 188 Cb 0.41 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 1puj h ARG 188 CO 0.01 1.06 -0.20 -0.07 -1.07 0.00 0.00 179.97 179.71 1puj h LEU 189 N 0.81 0.86 -0.27 3.04 3.38 -1.08 -2.53 115.31 119.53 1puj h LEU 189 Ca 0.10 -0.41 -0.05 0.00 0.09 0.00 0.00 57.88 57.62 1puj h LEU 189 Cb 0.79 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1puj h LEU 189 CO 0.07 1.08 -0.01 0.00 0.09 0.00 0.00 178.44 179.66 1puj h ALA 190 N 0.81 0.36 -0.34 1.53 0.00 -0.93 -0.91 119.26 119.78 1puj h ALA 190 Ca 0.09 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1puj h ALA 190 Cb 0.76 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1puj h ALA 190 CO 0.06 0.11 -0.04 -0.24 0.00 0.00 0.00 179.25 179.14 1puj h VAL 191 N 0.26 1.21 0.00 0.00 3.04 -1.14 -2.59 116.25 117.03 1puj h VAL 191 Ca 0.07 -0.89 0.00 0.00 -1.01 0.00 0.00 66.70 64.87 1puj h VAL 191 Cb 0.44 1.01 0.00 0.00 -2.01 0.00 0.00 31.29 30.73 1puj h VAL 191 CO 0.02 0.30 0.00 0.35 -1.01 0.00 0.00 177.57 177.23 1puj n THR 192 N -4.24 0.19 -0.15 3.17 -2.24 -0.96 -4.76 114.28 105.29 1puj n THR 192 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1puj n THR 192 Cb 0.28 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 67.93 1puj n THR 192 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1puj n GLY 193 N 1.28 0.92 0.09 3.38 0.00 -0.98 -4.98 105.19 104.91 1puj n GLY 193 Ca 0.06 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.14 1puj n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1puj n ALA 194 N -1.55 2.10 -2.43 4.61 0.00 -0.38 -4.76 120.51 118.10 1puj n ALA 194 Ca 0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 53.44 53.13 1puj n ALA 194 Cb 0.00 -1.44 -0.16 0.00 0.00 0.00 0.00 19.45 17.85 1puj n ALA 194 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1puj s ILE 195 N -3.13 1.95 0.09 0.00 1.01 -1.25 -4.56 121.20 115.31 1puj s ILE 195 Ca 0.09 -1.05 -0.31 0.00 0.00 0.00 0.00 60.65 59.39 1puj s ILE 195 Cb 0.12 -1.63 -0.09 0.00 0.01 0.00 0.00 42.46 40.87 1puj s ILE 195 CO 0.52 0.55 1.79 -1.59 0.00 0.00 0.00 174.94 176.21 1puj s LYS 196 N -0.48 4.16 0.00 2.79 -2.85 -1.26 -4.83 119.74 117.26 1puj s LYS 196 Ca 0.07 2.51 0.12 0.00 -1.00 0.00 0.00 55.97 57.67 1puj s LYS 196 Cb -0.10 -3.67 0.71 0.00 -2.06 0.00 0.00 37.83 32.70 1puj s LYS 196 CO -0.00 -0.82 1.14 -0.25 0.10 0.00 0.00 175.35 175.52 1puj n ASP 197 N 5.91 0.00 0.11 0.03 8.00 -1.26 -2.83 116.55 126.50 1puj n ASP 197 Ca 0.17 -0.37 0.03 0.00 0.71 0.00 0.00 54.79 55.34 1puj n ASP 197 Cb 0.39 -0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.49 1puj n ASP 197 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 1puj h SER 198 N 0.00 0.00 -0.47 -2.24 4.64 -2.04 -3.34 113.55 110.10 1puj h SER 198 Ca 0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 1puj h SER 198 Cb 0.00 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.01 1puj h SER 198 CO 0.00 0.44 0.09 -0.38 -0.87 0.00 0.00 176.83 176.11 1puj n ILE 199 N -3.05 2.61 -3.98 0.95 5.41 -1.13 -4.99 119.36 115.18 1puj n ILE 199 Ca -0.02 -1.98 -0.08 0.00 1.00 0.00 0.00 62.75 61.66 1puj n ILE 199 Cb 0.74 -0.31 -0.09 0.00 -0.71 0.00 0.00 39.64 39.26 1puj n ILE 199 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 176.55 176.82 1puj s ILE 200 N -2.99 0.17 -0.90 1.39 -4.36 -1.25 -5.08 121.20 108.16 1puj s ILE 200 Ca 0.48 -1.38 -0.24 0.00 -0.26 0.00 0.00 60.65 59.25 1puj s ILE 200 Cb 0.40 -1.16 0.05 0.00 1.25 0.00 0.00 42.46 42.99 1puj s ILE 200 CO 0.09 -0.76 1.35 0.21 0.24 0.00 0.00 174.94 176.07 1puj s ASN 201 N -2.51 6.37 0.46 4.36 3.84 -1.26 -4.86 114.94 121.34 1puj s ASN 201 Ca 0.00 -1.11 0.17 0.00 0.21 0.00 0.00 52.86 52.14 1puj s ASN 201 Cb 0.03 -2.55 1.12 0.00 -0.55 0.00 0.00 41.25 39.30 1puj s ASN 201 CO -0.08 -1.60 1.97 -0.07 -2.79 0.00 0.00 177.10 174.53 1puj h LEU 202 N 12.71 0.28 -1.03 3.21 3.38 -1.98 -2.21 115.31 129.66 1puj h LEU 202 Ca 0.01 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1puj h LEU 202 Cb 1.03 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 1puj h LEU 202 CO 1.35 0.16 -0.11 -0.61 0.09 0.00 0.00 178.44 179.33 1puj h GLN 203 N 0.31 0.57 -0.35 1.13 4.15 -1.94 -0.58 115.11 118.40 1puj h GLN 203 Ca 0.29 -0.17 -0.06 0.00 0.77 0.00 0.00 58.65 59.48 1puj h GLN 203 Cb 0.71 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.32 1puj h GLN 203 CO -0.07 0.67 -0.03 -0.44 -1.93 0.00 0.00 178.83 177.04 1puj h ASP 204 N 0.53 0.53 -0.09 -0.69 3.32 -1.81 0.14 116.42 118.34 1puj h ASP 204 Ca 0.10 -0.11 -0.16 0.00 0.02 0.00 0.00 57.03 56.88 1puj h ASP 204 Cb 0.50 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 1puj h ASP 204 CO 0.03 0.62 -0.49 0.58 -1.72 0.00 0.00 179.24 178.26 1puj h VAL 205 N 0.53 1.30 -0.33 -1.35 2.07 -1.35 -1.47 116.25 115.65 1puj h VAL 205 Ca 0.11 -1.70 -0.12 0.00 0.82 0.00 0.00 66.70 65.81 1puj h VAL 205 Cb 0.38 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 1puj h VAL 205 CO 0.02 0.54 -0.30 0.00 0.02 0.00 0.00 177.57 177.84 1puj h ALA 206 N 0.94 0.86 -0.50 1.67 0.00 -0.45 0.11 119.26 121.88 1puj h ALA 206 Ca 0.02 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.49 1puj h ALA 206 Cb 1.04 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1puj h ALA 206 CO 0.10 0.63 0.16 0.28 0.00 0.00 0.00 179.25 180.42 1puj h VAL 207 N 0.59 1.23 -0.51 0.00 2.07 -0.56 -0.17 116.25 118.90 1puj h VAL 207 Ca 0.07 -0.77 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 1puj h VAL 207 Cb 0.81 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1puj h VAL 207 CO 0.07 0.28 0.28 0.15 0.02 0.00 0.00 177.57 178.36 1puj h PHE 208 N 0.68 0.71 -0.30 1.57 3.57 -0.95 -1.62 116.94 120.59 1puj h PHE 208 Ca 0.16 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.65 1puj h PHE 208 Cb 0.27 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 1puj h PHE 208 CO 0.01 0.53 0.18 0.78 -2.23 0.00 0.00 178.31 177.58 1puj h GLY 209 N 0.68 0.42 0.96 2.40 0.00 -0.40 -0.95 103.07 106.18 1puj h GLY 209 Ca 0.18 -0.14 -0.03 0.00 0.00 0.00 0.00 47.33 47.34 1puj h GLY 209 CO -0.03 0.13 0.17 1.41 0.00 0.00 0.00 176.54 178.22 1puj h LEU 210 N 0.37 0.65 -0.95 3.11 3.38 -0.86 -0.55 115.31 120.46 1puj h LEU 210 Ca 0.12 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1puj h LEU 210 Cb -0.01 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 1puj h LEU 210 CO -0.05 0.66 0.33 0.03 0.09 0.00 0.00 178.44 179.49 1puj h ARG 211 N 0.61 1.08 -0.13 1.13 3.08 -1.15 0.79 114.38 119.80 1puj h ARG 211 Ca 0.15 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 1puj h ARG 211 Cb 0.21 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1puj h ARG 211 CO -0.01 0.86 0.07 0.35 -1.07 0.00 0.00 179.97 180.16 1puj h PHE 212 N 1.07 0.18 -0.76 3.04 3.57 -0.81 -1.65 116.94 121.58 1puj h PHE 212 Ca 0.25 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 1puj h PHE 212 Cb 0.15 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.80 1puj h PHE 212 CO 0.01 0.21 0.44 -0.07 -2.23 0.00 0.00 178.31 176.67 1puj h LEU 213 N 0.10 0.93 -1.43 0.59 3.38 -0.66 0.30 115.31 118.51 1puj h LEU 213 Ca 0.05 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1puj h LEU 213 Cb 0.09 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1puj h LEU 213 CO -0.01 0.74 0.02 -0.33 0.09 0.00 0.00 178.44 178.95 1puj h GLU 214 N 1.04 0.39 0.01 1.13 5.08 -0.66 0.46 114.58 122.03 1puj h GLU 214 Ca 0.27 -0.06 -0.27 0.00 -1.00 0.00 0.00 59.36 58.30 1puj h GLU 214 Cb -0.00 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 1puj h GLU 214 CO -0.05 0.40 -1.49 1.49 -1.00 0.00 0.00 179.01 178.37 1puj h GLU 215 N 0.38 0.02 0.00 2.33 4.81 -0.77 -3.37 114.58 117.98 1puj h GLU 215 Ca 0.09 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.17 1puj h GLU 215 Cb 0.23 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 1puj h GLU 215 CO 0.00 0.69 -1.43 0.72 -0.73 0.00 0.00 179.01 178.27 1puj n HIS 216 N -3.17 0.00 -2.95 0.92 8.25 0.05 -4.84 115.22 113.48 1puj n HIS 216 Ca -0.12 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.19 1puj n HIS 216 Cb 1.02 -0.31 -0.01 0.00 1.12 0.00 0.00 29.99 31.81 1puj n HIS 216 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1puj n TYR 217 N -2.23 0.85 -0.32 4.41 4.02 0.14 -4.96 117.16 119.07 1puj n TYR 217 Ca -0.10 -3.40 0.01 0.00 -0.01 0.00 0.00 57.90 54.39 1puj n TYR 217 Cb 0.70 -0.40 0.14 0.00 -0.02 0.00 0.00 39.34 39.77 1puj n TYR 217 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1puj h PRO 218 N 2.98 0.99 -0.98 -0.72 0.13 -1.22 -2.63 132.00 130.56 1puj h PRO 218 Ca 0.03 -0.06 0.01 0.00 -0.87 0.00 0.00 66.00 65.11 1puj h PRO 218 Cb 1.03 -0.22 -0.05 0.00 0.13 0.00 0.00 31.00 31.89 1puj h PRO 218 CO 0.53 0.65 0.64 0.93 -0.23 0.00 0.00 178.00 180.52 1puj h GLU 219 N 1.02 1.30 -0.41 0.86 4.39 -1.93 -1.33 114.58 118.47 1puj h GLU 219 Ca 0.38 -0.09 -0.11 0.00 0.34 0.00 0.00 59.36 59.88 1puj h GLU 219 Cb 0.14 -0.29 -0.01 0.00 -0.10 0.00 0.00 28.75 28.49 1puj h GLU 219 CO -0.16 0.87 -0.20 0.00 -1.16 0.00 0.00 179.01 178.35 1puj h ARG 220 N 1.33 0.81 -0.44 2.33 3.08 -1.85 -1.52 114.38 118.12 1puj h ARG 220 Ca 0.36 -0.32 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 1puj h ARG 220 Cb -0.14 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 1puj h ARG 220 CO -0.08 0.94 0.18 1.25 -1.07 0.00 0.00 179.97 181.19 1puj h LEU 221 N 0.71 0.60 0.29 3.04 5.85 -1.14 -0.33 115.31 124.32 1puj h LEU 221 Ca 0.10 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 1puj h LEU 221 Cb 0.71 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.59 1puj h LEU 221 CO 0.05 0.61 -0.14 0.11 -0.34 0.00 0.00 178.44 178.73 1puj h LYS 222 N 0.56 -0.37 -0.93 1.25 1.57 -1.07 -2.85 116.57 114.73 1puj h LYS 222 Ca 0.15 0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 1puj h LYS 222 Cb 0.19 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.54 1puj h LYS 222 CO -0.01 -0.15 0.56 1.49 -0.57 0.00 0.00 179.45 180.77 1puj h GLU 223 N -0.53 1.26 -0.38 3.15 4.57 -1.25 0.60 114.58 122.00 1puj h GLU 223 Ca -0.04 -0.11 0.05 0.00 -1.18 0.00 0.00 59.36 58.08 1puj h GLU 223 Cb 0.39 -0.26 -0.05 0.00 -0.16 0.00 0.00 28.75 28.68 1puj h GLU 223 CO 0.06 0.88 0.11 -0.09 -1.18 0.00 0.00 179.01 178.80 1puj h ARG 224 N 1.28 0.25 -0.42 1.92 1.12 -1.00 -2.62 114.38 114.91 1puj h ARG 224 Ca 0.33 -0.01 -0.01 0.00 -1.11 0.00 0.00 59.98 59.17 1puj h ARG 224 Cb -0.06 -0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 29.84 1puj h ARG 224 CO -0.06 0.16 0.01 0.66 -3.11 0.00 0.00 179.97 177.63 1puj n TYR 225 N -5.05 1.52 -3.93 2.20 4.02 -1.08 -4.96 117.16 109.88 1puj n TYR 225 Ca 0.02 -0.84 -0.27 0.00 -0.01 0.00 0.00 57.90 56.80 1puj n TYR 225 Cb 0.15 -0.42 -0.00 0.00 -0.02 0.00 0.00 39.34 39.04 1puj n TYR 225 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1puj n GLY 226 N -0.02 -0.30 3.60 2.72 0.00 0.70 -4.93 105.19 106.96 1puj n GLY 226 Ca 0.25 0.15 -0.39 0.00 0.00 0.00 0.00 46.02 46.03 1puj n GLY 226 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1puj s LEU 227 N -6.99 4.05 0.32 0.99 1.43 0.18 -4.93 118.68 113.72 1puj s LEU 227 Ca 0.20 0.25 0.06 0.00 -1.03 0.00 0.00 54.13 53.61 1puj s LEU 227 Cb -0.10 -2.40 0.54 0.00 0.03 0.00 0.00 46.19 44.25 1puj s LEU 227 CO 0.87 -0.18 1.77 -0.78 0.23 0.00 0.00 176.35 178.25 1puj h ASP 228 N 8.20 0.30 -4.50 2.29 1.82 -1.92 -3.42 116.42 119.19 1puj h ASP 228 Ca -0.32 -0.10 -0.13 0.00 -0.39 0.00 0.00 57.03 56.09 1puj h ASP 228 Cb 1.16 -0.08 -0.22 0.00 0.68 0.00 0.00 39.33 40.87 1puj h ASP 228 CO 0.64 0.59 -0.33 -0.70 -1.61 0.00 0.00 179.24 177.83 1puj s GLU 229 N -4.39 0.52 -0.17 0.28 2.12 -1.26 -5.13 118.70 110.68 1puj s GLU 229 Ca -0.05 0.06 -0.25 0.00 0.36 0.00 0.00 54.97 55.09 1puj s GLU 229 Cb 0.14 0.24 -0.02 0.00 0.26 0.00 0.00 34.13 34.75 1puj s GLU 229 CO 0.76 -0.12 0.81 0.42 -0.54 0.00 0.00 175.26 176.60 1puj s ILE 230 N -0.69 4.90 0.46 -3.70 1.01 -1.26 -5.02 121.20 116.89 1puj s ILE 230 Ca -0.08 1.60 -0.25 0.00 0.00 0.00 0.00 60.65 61.92 1puj s ILE 230 Cb -0.04 -4.12 -0.08 0.00 0.01 0.00 0.00 42.46 38.23 1puj s ILE 230 CO 0.02 0.04 1.37 -2.65 0.00 0.00 0.00 174.94 173.72 1puj n PRO 231 N 5.17 2.07 0.18 2.79 -0.02 -1.26 -4.90 135.00 139.03 1puj n PRO 231 Ca 0.04 0.74 0.05 0.00 -2.02 0.00 0.00 63.50 62.31 1puj n PRO 231 Cb 0.49 -2.54 0.27 0.00 -0.02 0.00 0.00 33.50 31.70 1puj n PRO 231 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1puj h GLU 232 N 2.09 0.00 -5.07 -0.52 5.08 -1.99 -3.42 114.58 110.75 1puj h GLU 232 Ca -0.50 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.22 1puj h GLU 232 Cb 1.28 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.38 1puj h GLU 232 CO 0.60 0.41 -0.28 0.34 -1.00 0.00 0.00 179.01 179.08 1puj s ASP 233 N -6.44 6.20 0.29 1.42 -1.08 -1.26 -4.97 116.67 110.83 1puj s ASP 233 Ca 0.01 0.11 0.03 0.00 -0.52 0.00 0.00 52.55 52.17 1puj s ASP 233 Cb 0.10 -2.20 0.66 0.00 -1.46 0.00 0.00 42.92 40.03 1puj s ASP 233 CO 0.70 -0.21 1.76 -0.29 0.52 0.00 0.00 175.17 177.64 1puj h ILE 234 N 5.43 0.69 -0.65 4.11 6.09 -2.00 0.89 117.51 132.07 1puj h ILE 234 Ca -0.31 -0.23 -0.05 0.00 -1.37 0.00 0.00 64.86 62.90 1puj h ILE 234 Cb 1.16 -0.04 -0.03 0.00 0.47 0.00 0.00 36.82 38.38 1puj h ILE 234 CO 0.65 0.12 0.22 0.00 -3.07 0.00 0.00 178.15 176.06 1puj h ALA 235 N 1.62 1.16 -0.47 0.18 0.00 -1.97 -1.79 119.26 117.99 1puj h ALA 235 Ca 0.53 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 55.19 1puj h ALA 235 Cb 0.83 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1puj h ALA 235 CO -0.39 0.59 0.04 0.93 0.00 0.00 0.00 179.25 180.41 1puj h GLU 236 N 0.95 0.74 -0.59 0.00 5.08 -1.26 -2.06 114.58 117.44 1puj h GLU 236 Ca 0.21 -0.18 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 1puj h GLU 236 Cb 0.25 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 1puj h GLU 236 CO -0.01 0.73 0.10 1.25 -1.00 0.00 0.00 179.01 180.08 1puj h LEU 237 N 0.70 0.91 -0.65 1.33 5.85 -0.58 -1.26 115.31 121.61 1puj h LEU 237 Ca 0.15 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1puj h LEU 237 Cb 0.38 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 1puj h LEU 237 CO 0.01 0.91 0.42 -0.26 -0.34 0.00 0.00 178.44 179.18 1puj h PHE 238 N 0.90 0.83 -0.54 1.25 -1.00 -0.74 -1.81 116.94 115.84 1puj h PHE 238 Ca 0.19 0.01 -0.05 0.00 2.81 0.00 0.00 57.97 60.93 1puj h PHE 238 Cb 0.39 -0.28 -0.02 0.00 3.61 0.00 0.00 35.95 39.65 1puj h PHE 238 CO 0.03 0.54 0.15 -0.44 -1.61 0.00 0.00 178.31 176.98 1puj h ASP 239 N 0.88 0.80 -0.47 2.17 3.32 -0.93 -0.38 116.42 121.80 1puj h ASP 239 Ca 0.24 -0.22 0.05 0.00 0.02 0.00 0.00 57.03 57.12 1puj h ASP 239 Cb -0.07 -0.21 -0.05 0.00 0.22 0.00 0.00 39.33 39.22 1puj h ASP 239 CO -0.05 0.80 0.21 0.00 -1.72 0.00 0.00 179.24 178.48 1puj h ALA 240 N 1.02 0.59 -0.44 3.45 0.00 -0.90 -1.23 119.26 121.76 1puj h ALA 240 Ca 0.17 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 1puj h ALA 240 Cb 0.30 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1puj h ALA 240 CO -0.00 -0.16 -0.12 0.82 0.00 0.00 0.00 179.25 179.79 1puj h ILE 241 N 0.41 1.27 0.50 0.00 2.04 -1.14 -1.48 117.51 119.12 1puj h ILE 241 Ca 0.22 -1.23 -0.02 0.00 1.00 0.00 0.00 64.86 64.83 1puj h ILE 241 Cb 0.17 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 1puj h ILE 241 CO -0.18 0.42 -0.37 1.23 0.00 0.00 0.00 178.15 179.25 1puj h GLY 242 N 0.68 -0.94 1.55 5.37 0.00 -0.61 -1.15 103.07 107.97 1puj h GLY 242 Ca 0.11 0.41 -0.05 0.00 0.00 0.00 0.00 47.33 47.81 1puj h GLY 242 CO 0.05 -0.33 0.03 1.05 0.00 0.00 0.00 176.54 177.33 1puj h GLU 243 N -0.85 0.56 -0.63 4.80 4.11 -1.29 0.50 114.58 121.79 1puj h GLU 243 Ca -0.05 -0.11 0.01 0.00 0.07 0.00 0.00 59.36 59.27 1puj h GLU 243 Cb 0.72 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.85 1puj h GLU 243 CO 0.02 0.57 0.41 -0.22 0.07 0.00 0.00 179.01 179.86 1puj h LYS 244 N 0.54 0.82 -0.00 1.06 1.63 -1.01 -2.82 116.57 116.78 1puj h LYS 244 Ca 0.12 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.87 1puj h LYS 244 Cb 0.30 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 31.75 1puj h LYS 244 CO 0.01 0.54 -0.63 0.54 -3.45 0.00 0.00 179.45 176.46 1puj n ARG 245 N -4.66 0.25 -2.19 1.90 5.12 -0.46 -4.98 116.66 111.64 1puj n ARG 245 Ca 0.05 -0.18 0.00 0.00 -1.93 0.00 0.00 57.85 55.79 1puj n ARG 245 Cb 0.03 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.83 1puj n ARG 245 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1puj n GLY 246 N 1.47 0.67 3.06 -0.13 0.00 0.13 -4.98 105.19 105.41 1puj n GLY 246 Ca 0.06 -0.56 -0.43 0.00 0.00 0.00 0.00 46.02 45.09 1puj n GLY 246 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1puj s LEU 248 N -1.27 3.72 0.01 0.00 1.43 -1.26 0.73 118.68 122.05 1puj s LEU 248 Ca 0.35 -0.09 -0.00 0.00 -1.03 0.00 0.00 54.13 53.36 1puj s LEU 248 Cb 0.03 -2.39 -0.00 0.00 0.03 0.00 0.00 46.19 43.87 1puj s LEU 248 CO 0.04 0.14 -0.00 1.15 0.23 0.00 0.00 176.35 177.90 1puj n MET 249 N 0.23 0.00 -3.29 1.70 0.00 0.94 -4.67 117.12 112.04 1puj n MET 249 Ca -0.09 0.00 -0.46 0.00 0.00 0.00 0.00 57.70 57.15 1puj n MET 249 Cb 0.53 -0.11 -0.02 0.00 0.00 0.00 0.00 33.22 33.62 1puj n MET 249 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1puj s SER 250 N -5.11 6.81 -1.49 3.17 0.15 -1.26 -4.75 113.70 111.22 1puj s SER 250 Ca -0.00 -2.73 -0.04 0.00 0.70 0.00 0.00 55.95 53.88 1puj s SER 250 Cb 0.00 -2.23 0.01 0.00 -1.71 0.00 0.00 66.02 62.08 1puj s SER 250 CO 0.00 -0.59 0.07 0.61 1.20 0.00 0.00 173.24 174.53 1puj n GLY 251 N 3.99 -0.19 0.00 9.45 0.00 -1.26 -2.54 105.19 114.63 1puj n GLY 251 Ca 0.16 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1puj n GLY 251 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1puj n GLY 252 N -2.52 2.95 3.76 -0.02 0.00 -1.26 -5.11 105.19 102.99 1puj n GLY 252 Ca -0.30 -0.87 -0.40 0.00 0.00 0.00 0.00 46.02 44.46 1puj n GLY 252 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1puj s LEU 253 N 0.00 4.10 0.19 0.99 1.43 -1.05 -4.78 118.68 119.55 1puj s LEU 253 Ca 0.00 2.86 -0.30 0.00 -1.03 0.00 0.00 54.13 55.66 1puj s LEU 253 Cb 0.00 -3.97 -0.08 0.00 0.03 0.00 0.00 46.19 42.17 1puj s LEU 253 CO 0.00 -1.16 1.22 -0.63 0.23 0.00 0.00 176.35 176.01 1puj s ILE 254 N -1.23 3.48 -0.55 -0.59 -1.09 -1.26 -0.04 121.20 119.92 1puj s ILE 254 Ca 0.61 1.24 -0.17 0.00 -2.23 0.00 0.00 60.65 60.11 1puj s ILE 254 Cb -0.42 -3.79 0.12 0.00 -1.58 0.00 0.00 42.46 36.78 1puj s ILE 254 CO 0.54 0.20 0.56 0.21 -1.23 0.00 0.00 174.94 175.22 1puj s ASN 255 N 0.18 6.19 0.47 3.58 3.84 0.23 -4.67 114.94 124.76 1puj s ASN 255 Ca 0.54 -1.64 0.24 0.00 0.21 0.00 0.00 52.86 52.21 1puj s ASN 255 Cb -0.34 -2.24 1.18 0.00 -0.55 0.00 0.00 41.25 39.30 1puj s ASN 255 CO 0.37 -0.93 1.95 1.88 -2.79 0.00 0.00 177.10 177.58 1puj h TYR 256 N 8.98 0.00 -0.19 0.43 -1.99 -1.94 -1.48 116.97 120.78 1puj h TYR 256 Ca -0.30 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.38 1puj h TYR 256 Cb 1.10 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.82 1puj h TYR 256 CO 0.76 0.19 -0.07 -0.44 -0.00 0.00 0.00 178.16 178.60 1puj h ASP 257 N 0.00 0.39 0.10 3.88 3.45 -1.96 0.41 116.42 122.69 1puj h ASP 257 Ca -0.00 -0.39 -0.12 0.00 0.43 0.00 0.00 57.03 56.95 1puj h ASP 257 Cb 0.52 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 39.17 1puj h ASP 257 CO 0.03 0.70 -0.40 0.11 -1.57 0.00 0.00 179.24 178.10 1puj h LYS 258 N 0.09 0.40 -0.45 3.56 1.57 -1.89 -2.34 116.57 117.52 1puj h LYS 258 Ca 0.05 -0.20 -0.08 0.00 -1.87 0.00 0.00 60.65 58.55 1puj h LYS 258 Cb 0.54 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 1puj h LYS 258 CO 0.02 0.74 -0.04 1.15 -0.57 0.00 0.00 179.45 180.76 1puj h THR 259 N 0.33 1.27 -0.19 -0.16 2.02 -1.18 -2.01 112.91 113.00 1puj h THR 259 Ca 0.03 -1.11 0.03 0.00 0.77 0.00 0.00 66.41 66.13 1puj h THR 259 Cb 0.86 1.08 -0.03 0.00 -1.74 0.00 0.00 68.15 68.32 1puj h THR 259 CO 0.07 0.38 -0.02 0.74 0.37 0.00 0.00 175.52 177.06 1puj h THR 260 N 0.66 0.85 -0.79 3.16 2.02 -0.72 -1.90 112.91 116.19 1puj h THR 260 Ca 0.12 -0.01 0.06 0.00 0.77 0.00 0.00 66.41 67.35 1puj h THR 260 Cb 0.55 0.81 -0.06 0.00 -1.74 0.00 0.00 68.15 67.71 1puj h THR 260 CO 0.03 0.01 0.47 -0.33 0.37 0.00 0.00 175.52 176.07 1puj h GLU 261 N 0.04 0.83 -0.16 6.66 5.08 -1.24 -1.32 114.58 124.47 1puj h GLU 261 Ca 0.09 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1puj h GLU 261 Cb 0.12 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1puj h GLU 261 CO -0.17 0.55 0.03 0.28 -1.00 0.00 0.00 179.01 178.71 1puj h VAL 262 N 0.86 0.93 -0.20 3.13 2.07 -0.84 0.20 116.25 122.40 1puj h VAL 262 Ca 0.35 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.85 1puj h VAL 262 Cb 0.19 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 1puj h VAL 262 CO -0.18 0.02 0.08 0.40 0.02 0.00 0.00 177.57 177.91 1puj h ILE 263 N 0.10 0.97 -0.53 4.57 2.04 -0.85 0.18 117.51 123.99 1puj h ILE 263 Ca 0.07 -0.06 -0.03 0.00 1.00 0.00 0.00 64.86 65.84 1puj h ILE 263 Cb 0.06 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 1puj h ILE 263 CO -0.09 0.03 0.23 0.40 0.00 0.00 0.00 178.15 178.72 1puj h ILE 264 N 0.18 1.21 -0.01 -0.67 1.08 -1.06 -1.83 117.51 116.42 1puj h ILE 264 Ca 0.08 -0.63 -0.00 0.00 -0.39 0.00 0.00 64.86 63.93 1puj h ILE 264 Cb 0.04 0.64 -0.00 0.00 -3.07 0.00 0.00 36.82 34.42 1puj h ILE 264 CO -0.07 0.24 0.01 -0.09 -0.69 0.00 0.00 178.15 177.54 1puj h ARG 265 N 0.71 0.01 -0.65 2.37 2.43 -0.28 -1.46 114.38 117.52 1puj h ARG 265 Ca 0.18 -0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.44 1puj h ARG 265 Cb 0.16 -0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.64 1puj h ARG 265 CO -0.02 0.04 0.28 -0.44 -1.51 0.00 0.00 179.97 178.33 1puj h ASP 266 N -0.03 0.34 -0.17 -3.80 3.32 -0.46 0.90 116.42 116.52 1puj h ASP 266 Ca 0.00 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 1puj h ASP 266 Cb 0.04 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 1puj h ASP 266 CO -0.00 0.20 0.04 0.40 -1.72 0.00 0.00 179.24 178.16 1puj h ILE 267 N 0.50 1.20 0.00 0.35 2.04 -1.12 0.27 117.51 120.75 1puj h ILE 267 Ca 0.32 -0.63 -0.09 0.00 1.00 0.00 0.00 64.86 65.46 1puj h ILE 267 Cb 0.36 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 1puj h ILE 267 CO -0.28 0.19 -0.43 0.03 0.00 0.00 0.00 178.15 177.66 1puj h ARG 268 N 0.08 0.00 -0.71 2.37 3.08 -0.87 -3.03 114.38 115.31 1puj h ARG 268 Ca 0.05 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.04 1puj h ARG 268 Cb 0.26 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.27 1puj h ARG 268 CO 0.00 0.43 0.08 0.25 -1.07 0.00 0.00 179.97 179.66 1puj n THR 269 N -3.85 2.32 -2.17 2.04 -2.24 0.28 -4.91 114.28 105.74 1puj n THR 269 Ca -0.01 -1.19 -0.19 0.00 -2.27 0.00 0.00 64.05 60.38 1puj n THR 269 Cb 0.48 -0.36 -0.03 0.00 -2.10 0.00 0.00 70.33 68.33 1puj n THR 269 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1puj n GLU 270 N 0.32 -1.47 0.28 -0.78 1.02 -1.14 -4.86 120.64 114.01 1puj n GLU 270 Ca 0.26 0.98 0.18 0.00 -0.02 0.00 0.00 57.16 58.56 1puj n GLU 270 Cb 1.08 -5.47 0.74 0.00 -0.02 0.00 0.00 31.44 27.77 1puj n GLU 270 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1puj h LYS 271 N 0.00 0.00 -0.47 3.49 1.79 -0.69 -0.94 116.57 119.74 1puj h LYS 271 Ca -0.44 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 57.95 1puj h LYS 271 Cb 1.31 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.91 1puj h LYS 271 CO 0.54 0.00 0.07 1.19 -1.08 0.00 0.00 179.45 180.18 1puj n PHE 272 N -3.09 1.63 -4.48 -1.35 3.01 -1.25 -4.93 117.46 107.00 1puj n PHE 272 Ca 0.00 -1.04 0.00 0.00 1.01 0.00 0.00 57.45 57.42 1puj n PHE 272 Cb 0.28 -0.49 0.00 0.00 -0.01 0.00 0.00 39.48 39.27 1puj n PHE 272 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1puj n GLY 273 N -0.28 -0.78 3.71 1.37 0.00 -0.36 -4.76 105.19 104.09 1puj n GLY 273 Ca 0.30 -1.13 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 1puj n GLY 273 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1puj s ARG 274 N 0.00 4.32 -0.00 1.61 0.52 -1.26 -4.69 118.95 119.45 1puj s ARG 274 Ca 0.00 2.07 0.04 0.00 -0.52 0.00 0.00 55.73 57.32 1puj s ARG 274 Cb 0.00 -3.26 -0.01 0.00 0.52 0.00 0.00 34.95 32.19 1puj s ARG 274 CO 0.00 -0.44 -0.13 -0.51 0.02 0.00 0.00 175.30 174.24 1puj s LEU 275 N 1.16 2.05 -0.09 2.53 1.43 -0.54 -4.46 118.68 120.77 1puj s LEU 275 Ca 0.64 -0.28 -0.01 0.00 -1.03 0.00 0.00 54.13 53.46 1puj s LEU 275 Cb -0.36 -0.67 0.03 0.00 0.03 0.00 0.00 46.19 45.21 1puj s LEU 275 CO 0.30 0.14 -0.04 -0.44 0.23 0.00 0.00 176.35 176.54 1puj s SER 276 N -0.47 1.81 0.00 2.29 0.01 -1.26 -3.70 113.70 112.38 1puj s SER 276 Ca 0.04 -0.19 0.29 0.00 1.31 0.00 0.00 55.95 57.41 1puj s SER 276 Cb -0.06 -0.63 1.32 0.00 0.21 0.00 0.00 66.02 66.87 1puj s SER 276 CO -0.00 -0.15 1.90 0.49 0.41 0.00 0.00 173.24 175.89 1puj n PHE 277 N 4.95 0.00 -3.53 2.43 3.01 -0.05 -4.90 117.46 119.38 1puj n PHE 277 Ca -0.11 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.19 1puj n PHE 277 Cb 0.50 -0.02 -0.05 0.00 -0.01 0.00 0.00 39.48 39.90 1puj n PHE 277 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 1puj s GLU 278 N -2.04 1.06 0.10 -1.08 -1.05 -1.26 -5.05 118.70 109.37 1puj s GLU 278 Ca 0.40 0.03 0.06 0.00 -0.15 0.00 0.00 54.97 55.31 1puj s GLU 278 Cb 0.21 0.49 -0.03 0.00 -0.44 0.00 0.00 34.13 34.36 1puj s GLU 278 CO 0.36 -0.36 -0.15 -0.65 0.95 0.00 0.00 175.26 175.41 1puj s GLN 279 N -1.80 0.96 1.04 -4.83 -0.21 -1.26 -4.90 119.66 108.65 1puj s GLN 279 Ca -0.08 -1.11 -0.12 0.00 0.02 0.00 0.00 55.36 54.06 1puj s GLN 279 Cb -0.01 -0.96 0.21 0.00 1.00 0.00 0.00 33.01 33.26 1puj s GLN 279 CO 0.04 0.20 1.08 -1.25 -2.12 0.00 0.00 175.29 173.24 1puj s PRO 280 N -2.16 0.12 0.00 2.91 0.04 -1.26 -5.11 135.00 129.53 1puj s PRO 280 Ca 0.04 0.59 0.00 0.00 0.04 0.00 0.00 61.00 61.67 1puj s PRO 280 Cb -0.08 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.77 1puj s PRO 280 CO 0.03 -2.96 0.00 2.41 0.04 0.00 0.00 177.00 176.52