#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xpw n ARG 2 N 0.00 2.14 -3.51 0.03 -4.01 -1.26 -4.89 116.66 105.16 1xpw n ARG 2 Ca 0.00 -3.03 -0.14 0.00 -1.04 0.00 0.00 57.85 53.65 1xpw n ARG 2 Cb 0.00 -1.80 -0.11 0.00 -3.04 0.00 0.00 32.46 27.51 1xpw n ARG 2 CO 0.00 0.00 0.00 -1.59 -3.04 0.00 0.00 177.63 173.00 1xpw s LYS 3 N -3.08 0.24 0.16 2.89 -2.85 -1.16 -3.63 119.74 112.30 1xpw s LYS 3 Ca 0.43 0.50 0.09 0.00 -1.00 0.00 0.00 55.97 55.99 1xpw s LYS 3 Cb 0.37 -0.58 -0.04 0.00 -2.06 0.00 0.00 37.83 35.53 1xpw s LYS 3 CO 0.03 -0.53 -0.19 -1.50 0.10 0.00 0.00 175.35 173.26 1xpw s ILE 4 N 2.44 1.86 -1.08 3.79 2.07 -0.66 -4.79 121.20 124.83 1xpw s ILE 4 Ca 0.07 -1.89 -0.22 0.00 -1.41 0.00 0.00 60.65 57.20 1xpw s ILE 4 Cb -0.14 -1.84 0.01 0.00 0.13 0.00 0.00 42.46 40.62 1xpw s ILE 4 CO -0.12 -0.27 1.70 1.51 -1.91 0.00 0.00 174.94 175.85 1xpw s ASP 5 N -2.58 6.05 0.00 4.50 1.47 -1.26 -3.77 116.67 121.08 1xpw s ASP 5 Ca 0.15 -1.54 0.00 0.00 1.18 0.00 0.00 52.55 52.35 1xpw s ASP 5 Cb -0.06 -2.57 0.00 0.00 -0.34 0.00 0.00 42.92 39.94 1xpw s ASP 5 CO 0.07 -1.95 0.95 0.18 0.68 0.00 0.00 175.17 175.10 1xpw n LEU 6 N 10.77 0.09 -0.02 2.11 4.77 -0.61 -2.97 117.00 131.13 1xpw n LEU 6 Ca 0.40 -0.05 0.11 0.00 -0.03 0.00 0.00 56.01 56.45 1xpw n LEU 6 Cb 0.48 -0.05 0.09 0.00 -2.33 0.00 0.00 43.42 41.61 1xpw n LEU 6 CO 0.67 0.02 0.24 0.00 -1.33 0.00 0.00 177.39 177.00 1xpw s LEU 8 N -2.97 4.61 0.53 0.00 1.43 -1.16 -4.23 118.68 116.89 1xpw s LEU 8 Ca 0.10 2.09 0.35 0.00 -1.03 0.00 0.00 54.13 55.64 1xpw s LEU 8 Cb 0.17 -3.62 1.65 0.00 0.03 0.00 0.00 46.19 44.42 1xpw s LEU 8 CO 0.76 0.02 2.05 0.77 0.23 0.00 0.00 176.35 180.18 1xpw h SER 9 N 4.02 0.00 1.07 2.29 4.64 -0.97 0.27 113.55 124.87 1xpw h SER 9 Ca -0.46 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.84 1xpw h SER 9 Cb 1.21 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1xpw h SER 9 CO 0.68 0.00 -0.11 0.28 -0.87 0.00 0.00 176.83 176.81 1xpw h SER 10 N 0.00 0.00 1.20 4.97 0.02 -1.88 -2.50 113.55 115.36 1xpw h SER 10 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1xpw h SER 10 Cb 0.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1xpw h SER 10 CO 0.00 0.11 -0.75 -0.33 -1.14 0.00 0.00 176.83 174.72 1xpw h GLU 11 N 0.00 0.00 0.00 3.45 4.39 -1.27 -3.47 114.58 117.67 1xpw h GLU 11 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1xpw h GLU 11 Cb 0.67 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 1xpw h GLU 11 CO 0.01 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.27 1xpw n GLY 12 N 1.18 1.29 3.68 -3.84 0.00 -0.94 -5.01 105.19 101.55 1xpw n GLY 12 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 1xpw n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xpw s SER 13 N -1.66 7.05 -0.14 1.61 0.01 -1.04 -4.30 113.70 115.23 1xpw s SER 13 Ca 0.00 1.71 0.00 0.00 1.31 0.00 0.00 55.95 58.98 1xpw s SER 13 Cb 0.00 -2.55 0.02 0.00 0.21 0.00 0.00 66.02 63.70 1xpw s SER 13 CO 0.00 -0.62 -0.13 -0.70 0.41 0.00 0.00 173.24 172.19 1xpw s GLU 14 N 2.62 2.17 -0.31 12.44 2.12 0.45 -4.08 118.70 134.12 1xpw s GLU 14 Ca 0.54 -0.51 -0.25 0.00 0.36 0.00 0.00 54.97 55.11 1xpw s GLU 14 Cb -0.22 -2.01 0.00 0.00 0.26 0.00 0.00 34.13 32.16 1xpw s GLU 14 CO 0.18 -0.23 0.86 0.14 -0.54 0.00 0.00 175.26 175.67 1xpw s VAL 15 N 1.49 4.72 0.32 3.70 -7.23 -1.26 -0.36 120.40 121.79 1xpw s VAL 15 Ca 0.04 1.30 0.06 0.00 -1.81 0.00 0.00 61.98 61.58 1xpw s VAL 15 Cb -0.13 -4.21 -0.06 0.00 0.56 0.00 0.00 36.38 32.53 1xpw s VAL 15 CO -0.10 -0.31 -0.03 0.27 -0.31 0.00 0.00 175.10 174.63 1xpw s ILE 16 N 3.12 1.70 -0.56 -0.62 -4.36 0.52 -4.82 121.20 116.18 1xpw s ILE 16 Ca 0.35 -2.09 0.00 0.00 -0.26 0.00 0.00 60.65 58.66 1xpw s ILE 16 Cb -0.14 -2.66 0.00 0.00 1.25 0.00 0.00 42.46 40.91 1xpw s ILE 16 CO 0.13 -0.16 0.00 -0.11 0.24 0.00 0.00 174.94 175.04 1xpw n LEU 17 N -0.71 -0.09 -4.63 0.37 7.94 -1.26 -0.40 117.00 118.22 1xpw n LEU 17 Ca -0.05 0.13 -0.43 0.00 -1.11 0.00 0.00 56.01 54.55 1xpw n LEU 17 Cb 0.65 -1.69 -0.03 0.00 0.53 0.00 0.00 43.42 42.87 1xpw n LEU 17 CO 0.43 -0.57 1.71 0.00 -1.11 0.00 0.00 177.39 177.84 1xpw n ALA 18 N 1.10 1.61 -0.08 1.96 0.00 -1.26 -4.36 120.51 119.48 1xpw n ALA 18 Ca -0.05 0.02 -0.06 0.00 0.00 0.00 0.00 53.44 53.34 1xpw n ALA 18 Cb 0.32 -2.77 -0.00 0.00 0.00 0.00 0.00 19.45 17.00 1xpw n ALA 18 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1xpw h THR 19 N 6.28 0.55 -3.76 0.00 2.02 -1.88 -3.40 112.91 112.72 1xpw h THR 19 Ca -0.46 0.00 -0.68 0.00 0.77 0.00 0.00 66.41 66.04 1xpw h THR 19 Cb 1.24 0.55 -0.21 0.00 -1.74 0.00 0.00 68.15 67.99 1xpw h THR 19 CO 0.95 0.00 -0.72 -0.44 0.37 0.00 0.00 175.52 175.68 1xpw s SER 20 N -5.14 4.40 -0.23 4.18 0.01 -1.26 -5.05 113.70 110.60 1xpw s SER 20 Ca -0.14 -0.10 -0.03 0.00 1.31 0.00 0.00 55.95 56.98 1xpw s SER 20 Cb 0.13 -1.10 0.08 0.00 0.21 0.00 0.00 66.02 65.34 1xpw s SER 20 CO 0.69 0.34 0.09 -0.44 0.41 0.00 0.00 173.24 174.33 1xpw s SER 21 N -0.68 3.12 -0.04 2.44 0.01 -1.26 -4.94 113.70 112.35 1xpw s SER 21 Ca 0.10 -1.03 -0.08 0.00 1.31 0.00 0.00 55.95 56.26 1xpw s SER 21 Cb -0.11 -0.48 -0.05 0.00 0.21 0.00 0.00 66.02 65.59 1xpw s SER 21 CO 0.01 -0.37 0.24 -0.62 0.41 0.00 0.00 173.24 172.91 1xpw s ASP 22 N 1.96 6.50 0.32 2.44 2.15 -1.24 -4.99 116.67 123.82 1xpw s ASP 22 Ca 0.04 0.59 0.12 0.00 0.43 0.00 0.00 52.55 53.73 1xpw s ASP 22 Cb -0.17 -2.11 0.54 0.00 -0.30 0.00 0.00 42.92 40.89 1xpw s ASP 22 CO -0.19 0.33 1.71 -0.33 -0.17 0.00 0.00 175.17 176.52 1xpw h GLU 23 N 4.48 0.00 -0.00 4.34 4.39 -2.00 -2.73 114.58 123.05 1xpw h GLU 23 Ca -0.52 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.18 1xpw h GLU 23 Cb 1.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 1xpw h GLU 23 CO 0.62 0.50 -0.35 1.63 -1.16 0.00 0.00 179.01 180.25 1xpw n LYS 24 N -3.90 0.27 -3.23 2.33 5.02 -1.26 -4.37 118.16 113.02 1xpw n LYS 24 Ca -0.01 -0.14 -0.22 0.00 -2.02 0.00 0.00 58.31 55.91 1xpw n LYS 24 Cb 0.52 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.96 1xpw n LYS 24 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1xpw n HIS 25 N -1.24 -1.29 -2.38 2.13 8.25 -1.05 -4.96 115.22 114.69 1xpw n HIS 25 Ca 0.08 -3.04 -0.42 0.00 -0.26 0.00 0.00 57.72 54.08 1xpw n HIS 25 Cb 0.33 0.34 -0.03 0.00 1.12 0.00 0.00 29.99 31.75 1xpw n HIS 25 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1xpw s PRO 26 N -0.12 4.40 0.59 -0.41 0.04 -1.11 -3.70 135.00 134.69 1xpw s PRO 26 Ca 0.33 1.81 0.33 0.00 0.04 0.00 0.00 61.00 63.52 1xpw s PRO 26 Cb 0.08 -3.38 1.87 0.00 0.04 0.00 0.00 34.50 33.10 1xpw s PRO 26 CO -0.16 -0.33 2.23 -1.35 0.04 0.00 0.00 177.00 177.42 1xpw h PRO 27 N 6.98 0.00 0.00 0.56 0.11 -1.92 -1.69 132.00 136.03 1xpw h PRO 27 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1xpw h PRO 27 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1xpw h PRO 27 CO 0.83 0.03 0.00 -1.91 -0.21 0.00 0.00 178.00 176.75 1xpw n GLU 28 N -3.54 0.02 0.04 1.05 2.13 -1.26 -1.39 120.64 117.69 1xpw n GLU 28 Ca -0.02 0.31 0.13 0.00 0.66 0.00 0.00 57.16 58.23 1xpw n GLU 28 Cb 0.13 -1.55 0.32 0.00 0.27 0.00 0.00 31.44 30.61 1xpw n GLU 28 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1xpw n ASN 29 N -1.59 0.52 -0.14 4.31 4.05 -0.64 -3.47 115.26 118.31 1xpw n ASN 29 Ca 0.03 0.15 -0.12 0.00 0.45 0.00 0.00 54.58 55.09 1xpw n ASN 29 Cb 0.15 -0.08 0.00 0.00 1.23 0.00 0.00 39.78 41.09 1xpw n ASN 29 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 177.26 174.61 1xpw h ILE 30 N 0.00 1.27 -0.10 -1.44 2.04 -1.40 -1.74 117.51 116.14 1xpw h ILE 30 Ca 0.00 -1.45 0.00 0.00 1.00 0.00 0.00 64.86 64.41 1xpw h ILE 30 Cb 0.62 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 1xpw h ILE 30 CO 0.00 0.49 0.00 2.30 0.00 0.00 0.00 178.15 180.94 1xpw n ILE 31 N -4.09 0.13 -0.11 -0.67 -5.35 -1.23 -3.15 119.36 104.90 1xpw n ILE 31 Ca -0.01 -0.15 -0.14 0.00 -0.27 0.00 0.00 62.75 62.19 1xpw n ILE 31 Cb 0.49 0.03 -0.12 0.00 -1.74 0.00 0.00 39.64 38.31 1xpw n ILE 31 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1xpw n ASP 32 N -0.23 1.78 -1.47 7.28 2.03 -0.85 -0.55 116.55 124.54 1xpw n ASP 32 Ca 0.08 -0.09 -0.04 0.00 0.52 0.00 0.00 54.79 55.26 1xpw n ASP 32 Cb 0.12 -0.01 0.02 0.00 -0.72 0.00 0.00 41.12 40.53 1xpw n ASP 32 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xpw n GLY 33 N 2.27 0.31 3.60 0.27 0.00 -0.71 -4.98 105.19 105.95 1xpw n GLY 33 Ca -0.37 -0.37 -0.39 0.00 0.00 0.00 0.00 46.02 44.89 1xpw n GLY 33 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xpw s ASN 34 N -3.26 6.16 0.00 1.61 2.47 -1.25 -4.95 114.94 115.72 1xpw s ASN 34 Ca 0.01 0.17 0.08 0.00 0.42 0.00 0.00 52.86 53.54 1xpw s ASN 34 Cb -0.00 -2.17 0.40 0.00 -1.45 0.00 0.00 41.25 38.02 1xpw s ASN 34 CO 0.15 -0.12 1.10 -2.65 -3.72 0.00 0.00 177.10 171.85 1xpw n PRO 35 N 5.19 0.12 -0.09 0.43 -0.02 -1.26 -2.70 135.00 136.66 1xpw n PRO 35 Ca -0.11 0.20 -0.22 0.00 -2.02 0.00 0.00 63.50 61.34 1xpw n PRO 35 Cb 0.51 -1.50 -0.12 0.00 -0.02 0.00 0.00 33.50 32.37 1xpw n PRO 35 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1xpw n GLU 36 N -1.26 0.65 -3.98 -0.52 1.02 -1.26 -4.99 120.64 110.29 1xpw n GLU 36 Ca 0.04 0.28 -0.31 0.00 -0.02 0.00 0.00 57.16 57.15 1xpw n GLU 36 Cb 0.06 -1.60 -0.05 0.00 -0.02 0.00 0.00 31.44 29.83 1xpw n GLU 36 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1xpw s THR 37 N -2.50 5.00 0.16 2.62 2.01 -1.10 -5.11 115.64 116.72 1xpw s THR 37 Ca -0.32 -0.54 -0.07 0.00 0.31 0.00 0.00 61.69 61.07 1xpw s THR 37 Cb 0.09 -3.42 -0.02 0.00 0.01 0.00 0.00 72.50 69.17 1xpw s THR 37 CO 0.61 0.15 0.23 0.72 -0.69 0.00 0.00 174.62 175.64 1xpw s PHE 38 N -1.44 0.54 -0.02 4.92 -0.71 -1.26 -4.66 117.98 115.35 1xpw s PHE 38 Ca 0.32 -0.90 -0.00 0.00 -1.04 0.00 0.00 56.93 55.30 1xpw s PHE 38 Cb -0.13 -0.17 -0.04 0.00 -1.21 0.00 0.00 43.02 41.48 1xpw s PHE 38 CO 0.24 -0.68 0.05 -0.46 -1.34 0.00 0.00 175.22 173.04 1xpw s TRP 39 N -4.00 3.22 0.13 3.49 -0.00 -0.76 -4.54 118.94 116.48 1xpw s TRP 39 Ca 0.20 0.18 -0.00 0.00 -0.00 0.00 0.00 56.10 56.48 1xpw s TRP 39 Cb 0.04 -1.73 -0.04 0.00 -0.00 0.00 0.00 33.47 31.74 1xpw s TRP 39 CO 0.01 0.52 0.02 -0.08 -0.00 0.00 0.00 176.95 177.43 1xpw s THR 40 N -1.11 0.29 0.28 5.86 -1.32 -1.26 -2.29 115.64 116.09 1xpw s THR 40 Ca 0.20 -1.92 0.11 0.00 -1.21 0.00 0.00 61.69 58.87 1xpw s THR 40 Cb -0.12 -1.97 -0.05 0.00 -1.51 0.00 0.00 72.50 68.85 1xpw s THR 40 CO 0.11 -0.56 -0.11 0.42 -2.21 0.00 0.00 174.62 172.27 1xpw s THR 41 N -3.91 2.91 -0.36 5.08 -4.23 -1.13 -4.69 115.64 109.32 1xpw s THR 41 Ca 0.21 -2.18 0.03 0.00 -1.18 0.00 0.00 61.69 58.57 1xpw s THR 41 Cb 0.07 -2.56 0.26 0.00 1.34 0.00 0.00 72.50 71.61 1xpw s THR 41 CO 0.00 -0.38 1.19 0.35 -0.54 0.00 0.00 174.62 175.25 1xpw n THR 42 N -0.75 1.50 -1.86 3.99 -2.24 -1.26 -4.75 114.28 108.91 1xpw n THR 42 Ca -0.06 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 61.11 1xpw n THR 42 Cb 0.60 -0.68 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 1xpw n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xpw n GLY 43 N 0.02 0.64 3.42 3.38 0.00 -1.26 -5.01 105.19 106.38 1xpw n GLY 43 Ca 0.17 -0.75 -0.44 0.00 0.00 0.00 0.00 46.02 45.00 1xpw n GLY 43 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xpw s MET 44 N -3.81 3.32 -0.17 1.61 1.00 -1.26 -5.01 119.30 114.99 1xpw s MET 44 Ca 0.00 -1.49 -0.05 0.00 0.00 0.00 0.00 55.69 54.15 1xpw s MET 44 Cb 0.00 -4.52 -0.03 0.00 0.00 0.00 0.00 34.83 30.28 1xpw s MET 44 CO 0.00 -1.67 0.00 -0.06 0.00 0.00 0.00 175.02 173.29 1xpw s PHE 45 N 2.74 3.11 0.67 -0.03 0.08 -1.26 -2.91 117.98 120.38 1xpw s PHE 45 Ca 0.22 -0.16 -0.10 0.00 0.12 0.00 0.00 56.93 57.01 1xpw s PHE 45 Cb -0.14 -2.00 0.01 0.00 -0.57 0.00 0.00 43.02 40.31 1xpw s PHE 45 CO -0.00 0.03 1.04 -2.14 -0.10 0.00 0.00 175.22 174.06 1xpw s PRO 46 N 0.37 2.96 -0.02 0.24 0.02 -1.24 -5.06 135.00 132.27 1xpw s PRO 46 Ca -0.01 0.39 0.05 0.00 0.02 0.00 0.00 61.00 61.44 1xpw s PRO 46 Cb -0.13 -2.09 -0.01 0.00 0.02 0.00 0.00 34.50 32.29 1xpw s PRO 46 CO 0.02 -0.90 -0.16 1.14 -0.33 0.00 0.00 177.00 176.77 1xpw s GLN 47 N -5.25 1.39 0.02 5.54 -2.07 -0.80 -4.99 119.66 113.50 1xpw s GLN 47 Ca 0.57 -0.57 0.03 0.00 -1.82 0.00 0.00 55.36 53.56 1xpw s GLN 47 Cb -0.11 -1.31 -0.02 0.00 -1.09 0.00 0.00 33.01 30.48 1xpw s GLN 47 CO 0.50 0.32 -0.09 -1.83 -1.32 0.00 0.00 175.29 172.87 1xpw s GLU 48 N -0.27 0.63 -0.03 9.60 1.03 -1.26 -0.41 118.70 127.99 1xpw s GLU 48 Ca 0.04 -0.55 -0.07 0.00 0.03 0.00 0.00 54.97 54.42 1xpw s GLU 48 Cb -0.07 -0.54 0.01 0.00 -0.80 0.00 0.00 34.13 32.72 1xpw s GLU 48 CO -0.00 0.13 0.17 -0.59 -1.33 0.00 0.00 175.26 173.64 1xpw s PHE 49 N -0.76 -0.09 -0.29 4.83 -0.71 -0.59 -2.88 117.98 117.49 1xpw s PHE 49 Ca -0.02 0.20 -0.06 0.00 -1.04 0.00 0.00 56.93 56.00 1xpw s PHE 49 Cb -0.06 0.02 0.01 0.00 -1.21 0.00 0.00 43.02 41.77 1xpw s PHE 49 CO 0.00 -0.20 0.06 0.42 -1.34 0.00 0.00 175.22 174.17 1xpw s ILE 50 N -0.64 3.82 -0.48 -4.49 1.01 0.47 -0.90 121.20 119.99 1xpw s ILE 50 Ca -0.07 -0.73 -0.20 0.00 0.00 0.00 0.00 60.65 59.65 1xpw s ILE 50 Cb -0.04 -2.97 0.04 0.00 0.01 0.00 0.00 42.46 39.50 1xpw s ILE 50 CO 0.01 0.10 0.67 -0.63 0.00 0.00 0.00 174.94 175.09 1xpw s ILE 51 N 1.48 4.80 -0.32 2.92 1.01 0.51 -0.35 121.20 131.25 1xpw s ILE 51 Ca 0.02 -0.15 -0.23 0.00 0.00 0.00 0.00 60.65 60.29 1xpw s ILE 51 Cb -0.17 -4.29 0.00 0.00 0.01 0.00 0.00 42.46 38.02 1xpw s ILE 51 CO 0.02 -0.75 0.78 0.00 0.00 0.00 0.00 174.94 174.99 1xpw h PHE 53 N 8.21 0.00 -0.09 0.00 0.04 -1.01 0.13 116.94 124.22 1xpw h PHE 53 Ca -0.24 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.49 1xpw h PHE 53 Cb 1.10 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.23 1xpw h PHE 53 CO 0.78 0.51 -0.04 0.72 -0.60 0.00 0.00 178.31 179.68 1xpw n HIS 54 N -3.31 0.00 -3.69 -0.55 8.25 -1.24 -4.37 115.22 110.30 1xpw n HIS 54 Ca 0.01 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.37 1xpw n HIS 54 Cb 0.69 -1.63 -0.03 0.00 1.12 0.00 0.00 29.99 30.14 1xpw n HIS 54 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1xpw s LYS 55 N -1.70 1.36 -0.47 -0.41 -2.85 -1.26 -3.85 119.74 110.56 1xpw s LYS 55 Ca 0.00 -0.80 -0.22 0.00 -1.00 0.00 0.00 55.97 53.94 1xpw s LYS 55 Cb 0.00 0.53 0.03 0.00 -2.06 0.00 0.00 37.83 36.33 1xpw s LYS 55 CO 0.00 -0.58 0.76 -1.01 0.10 0.00 0.00 175.35 174.62 1xpw s HIS 56 N -3.85 2.99 0.19 1.78 3.76 0.39 -4.35 115.29 116.19 1xpw s HIS 56 Ca 0.08 0.03 0.10 0.00 -0.15 0.00 0.00 55.06 55.12 1xpw s HIS 56 Cb -0.01 -3.64 -0.04 0.00 1.11 0.00 0.00 32.58 30.00 1xpw s HIS 56 CO -0.05 -1.02 -0.19 0.14 -0.85 0.00 0.00 174.74 172.77 1xpw s VAL 57 N 3.22 2.03 -0.33 -0.90 -7.23 -1.16 -0.95 120.40 115.08 1xpw s VAL 57 Ca 0.27 -2.04 -0.08 0.00 -1.81 0.00 0.00 61.98 58.32 1xpw s VAL 57 Cb -0.13 -1.99 0.03 0.00 0.56 0.00 0.00 36.38 34.84 1xpw s VAL 57 CO 0.21 -0.31 0.12 -0.60 -0.31 0.00 0.00 175.10 174.21 1xpw s ARG 58 N -2.95 2.84 -0.09 4.82 3.52 0.46 -2.44 118.95 125.11 1xpw s ARG 58 Ca 0.20 -1.04 -0.17 0.00 -0.13 0.00 0.00 55.73 54.59 1xpw s ARG 58 Cb -0.06 -3.49 -0.05 0.00 -1.56 0.00 0.00 34.95 29.80 1xpw s ARG 58 CO 0.09 -0.59 0.43 0.42 -0.81 0.00 0.00 175.30 174.84 1xpw s ILE 59 N 1.47 5.15 0.00 4.11 1.01 0.78 -0.91 121.20 132.80 1xpw s ILE 59 Ca 0.01 0.87 0.00 0.00 0.00 0.00 0.00 60.65 61.53 1xpw s ILE 59 Cb -0.19 -3.76 0.00 0.00 0.01 0.00 0.00 42.46 38.52 1xpw s ILE 59 CO 0.04 0.41 0.34 -0.62 0.00 0.00 0.00 174.94 175.11 1xpw n GLU 60 N 3.09 0.22 -3.64 2.79 1.02 0.52 -0.28 120.64 124.37 1xpw n GLU 60 Ca -0.10 -0.34 -0.09 0.00 -0.02 0.00 0.00 57.16 56.61 1xpw n GLU 60 Cb 0.52 -0.83 -0.07 0.00 -0.02 0.00 0.00 31.44 31.04 1xpw n GLU 60 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1xpw s ARG 61 N -0.13 0.55 -0.13 3.49 3.52 -0.78 -3.29 118.95 122.18 1xpw s ARG 61 Ca 0.00 0.71 0.03 0.00 -0.13 0.00 0.00 55.73 56.34 1xpw s ARG 61 Cb 0.00 0.24 0.01 0.00 -1.56 0.00 0.00 34.95 33.64 1xpw s ARG 61 CO 0.00 -0.07 -0.22 -0.51 -0.81 0.00 0.00 175.30 173.68 1xpw s LEU 62 N 0.50 2.11 -0.37 -0.88 1.43 0.48 -0.41 118.68 121.53 1xpw s LEU 62 Ca 0.00 -0.60 -0.13 0.00 -1.03 0.00 0.00 54.13 52.38 1xpw s LEU 62 Cb -0.05 -1.44 0.01 0.00 0.03 0.00 0.00 46.19 44.74 1xpw s LEU 62 CO -0.07 0.10 0.25 -0.69 0.23 0.00 0.00 176.35 176.16 1xpw s VAL 63 N 0.73 5.03 -0.43 -1.59 1.01 0.11 -0.67 120.40 124.59 1xpw s VAL 63 Ca -0.09 -0.58 -0.09 0.00 0.00 0.00 0.00 61.98 61.21 1xpw s VAL 63 Cb -0.16 -3.73 0.09 0.00 0.00 0.00 0.00 36.38 32.58 1xpw s VAL 63 CO 0.00 -0.18 0.27 -0.63 0.00 0.00 0.00 175.10 174.56 1xpw s ILE 64 N 1.65 4.22 -0.47 2.22 -1.09 0.23 -1.14 121.20 126.83 1xpw s ILE 64 Ca 0.04 -1.47 -0.12 0.00 -2.23 0.00 0.00 60.65 56.88 1xpw s ILE 64 Cb -0.18 -3.62 0.10 0.00 -1.58 0.00 0.00 42.46 37.18 1xpw s ILE 64 CO 0.09 -0.55 0.37 -1.58 -1.23 0.00 0.00 174.94 172.03 1xpw s GLN 65 N 1.41 2.72 0.37 2.79 0.74 -0.73 -0.75 119.66 126.21 1xpw s GLN 65 Ca 0.04 -1.59 -0.05 0.00 0.05 0.00 0.00 55.36 53.81 1xpw s GLN 65 Cb -0.23 -4.01 0.02 0.00 1.10 0.00 0.00 33.01 29.89 1xpw s GLN 65 CO 0.02 -1.13 0.57 -1.13 -0.55 0.00 0.00 175.29 173.07 1xpw n SER 66 N 5.04 -1.61 -4.31 6.67 3.41 -1.24 -0.37 113.62 121.21 1xpw n SER 66 Ca -0.11 -2.86 -0.30 0.00 -0.26 0.00 0.00 58.87 55.34 1xpw n SER 66 Cb 0.42 2.90 -0.15 0.00 -0.26 0.00 0.00 64.21 67.12 1xpw n SER 66 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1xpw s TYR 67 N -2.70 2.21 0.00 7.33 2.02 0.03 -4.17 117.35 122.07 1xpw s TYR 67 Ca 0.27 -0.41 0.00 0.00 -0.37 0.00 0.00 57.07 56.56 1xpw s TYR 67 Cb -0.02 -1.37 0.00 0.00 -0.40 0.00 0.00 41.96 40.18 1xpw s TYR 67 CO 0.19 0.05 0.00 1.19 -1.57 0.00 0.00 175.55 175.41 1xpw n PHE 68 N 2.08 0.00 -3.00 2.71 3.72 -1.26 -3.94 117.46 117.77 1xpw n PHE 68 Ca -0.16 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.32 1xpw n PHE 68 Cb 0.52 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.04 1xpw n PHE 68 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1xpw n VAL 69 N 0.00 0.00 0.00 -4.37 0.31 -1.26 -4.37 118.33 108.64 1xpw n VAL 69 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1xpw n VAL 69 Cb 0.00 -0.22 0.00 0.00 -0.91 0.00 0.00 33.84 32.71 1xpw n VAL 69 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1xpw n GLN 70 N -2.85 0.00 -3.51 5.55 7.27 -1.17 -2.09 117.38 120.57 1xpw n GLN 70 Ca 0.00 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.66 1xpw n GLN 70 Cb 0.29 0.00 -0.08 0.00 2.41 0.00 0.00 30.24 32.87 1xpw n GLN 70 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 1xpw s THR 71 N -1.02 4.40 -0.49 1.69 2.01 -0.79 -1.53 115.64 119.92 1xpw s THR 71 Ca 0.00 -1.76 -0.12 0.00 0.31 0.00 0.00 61.69 60.12 1xpw s THR 71 Cb 0.00 -3.88 0.11 0.00 0.01 0.00 0.00 72.50 68.74 1xpw s THR 71 CO 0.00 -0.80 0.40 -0.22 -0.69 0.00 0.00 174.62 173.31 1xpw s LEU 72 N 1.38 5.80 -0.50 4.42 2.96 -0.10 -1.74 118.68 130.90 1xpw s LEU 72 Ca 0.05 -1.76 -0.21 0.00 -0.22 0.00 0.00 54.13 51.99 1xpw s LEU 72 Cb -0.27 -2.10 0.04 0.00 0.50 0.00 0.00 46.19 44.37 1xpw s LEU 72 CO -0.00 -0.73 0.75 -0.75 -1.32 0.00 0.00 176.35 174.29 1xpw s LYS 73 N 1.48 3.25 -0.44 1.98 2.20 0.46 -0.41 119.74 128.26 1xpw s LYS 73 Ca 0.04 -0.51 -0.18 0.00 -0.36 0.00 0.00 55.97 54.97 1xpw s LYS 73 Cb -0.27 -4.04 0.03 0.00 -1.51 0.00 0.00 37.83 32.05 1xpw s LYS 73 CO 0.02 -1.25 0.49 0.42 -0.36 0.00 0.00 175.35 174.66 1xpw s ILE 74 N 3.15 5.04 -0.09 5.43 1.01 -0.62 -0.42 121.20 134.71 1xpw s ILE 74 Ca 0.23 -0.41 0.01 0.00 0.00 0.00 0.00 60.65 60.48 1xpw s ILE 74 Cb -0.15 -4.11 -0.03 0.00 0.01 0.00 0.00 42.46 38.18 1xpw s ILE 74 CO 0.17 -0.53 -0.09 -0.70 0.00 0.00 0.00 174.94 173.79 1xpw s GLU 75 N 2.24 2.96 0.19 2.79 2.12 -0.79 -2.08 118.70 126.13 1xpw s GLU 75 Ca 0.13 -0.60 0.07 0.00 0.36 0.00 0.00 54.97 54.93 1xpw s GLU 75 Cb -0.18 -2.61 -0.04 0.00 0.26 0.00 0.00 34.13 31.57 1xpw s GLU 75 CO 0.13 0.51 0.02 -1.59 -0.54 0.00 0.00 175.26 173.79 1xpw s LYS 76 N -0.40 2.45 -0.05 4.30 -2.85 0.49 -0.41 119.74 123.25 1xpw s LYS 76 Ca 0.05 -1.12 -0.03 0.00 -1.00 0.00 0.00 55.97 53.87 1xpw s LYS 76 Cb -0.12 -2.36 0.03 0.00 -2.06 0.00 0.00 37.83 33.31 1xpw s LYS 76 CO 0.02 0.44 0.12 0.45 0.10 0.00 0.00 175.35 176.49 1xpw s SER 77 N -3.07 -0.08 -0.05 0.03 0.15 0.41 -0.38 113.70 110.71 1xpw s SER 77 Ca 0.28 0.24 0.10 0.00 0.70 0.00 0.00 55.95 57.28 1xpw s SER 77 Cb -0.09 0.16 0.29 0.00 -1.71 0.00 0.00 66.02 64.67 1xpw s SER 77 CO 0.19 -0.12 1.23 0.41 1.20 0.00 0.00 173.24 176.16 1xpw n THR 78 N 3.90 1.33 -1.43 6.45 -1.04 -1.26 -0.31 114.28 121.91 1xpw n THR 78 Ca -0.23 -1.27 0.00 0.00 -2.04 0.00 0.00 64.05 60.51 1xpw n THR 78 Cb 0.53 0.29 0.00 0.00 -1.82 0.00 0.00 70.33 69.34 1xpw n THR 78 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1xpw n SER 79 N -0.02 0.00 -0.22 8.00 2.88 -1.26 -4.65 113.62 118.35 1xpw n SER 79 Ca 0.12 -0.47 0.07 0.00 -1.33 0.00 0.00 58.87 57.25 1xpw n SER 79 Cb 0.50 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.94 1xpw n SER 79 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1xpw n LYS 80 N -0.47 2.01 -3.78 -1.46 2.85 -1.26 -4.74 118.16 111.30 1xpw n LYS 80 Ca 0.00 -0.51 -0.33 0.00 -1.05 0.00 0.00 58.31 56.41 1xpw n LYS 80 Cb 0.00 -1.20 -0.05 0.00 -0.65 0.00 0.00 35.03 33.13 1xpw n LYS 80 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1xpw s GLU 81 N -1.92 3.55 -0.09 -1.58 8.01 -1.26 -4.99 118.70 120.42 1xpw s GLU 81 Ca 0.10 -0.15 0.00 0.00 0.01 0.00 0.00 54.97 54.93 1xpw s GLU 81 Cb 0.11 -3.04 0.11 0.00 -4.31 0.00 0.00 34.13 27.00 1xpw s GLU 81 CO 0.43 0.62 1.39 -0.35 0.01 0.00 0.00 175.26 177.35 1xpw n PRO 82 N 0.83 1.25 -4.15 0.39 -0.04 -1.26 -4.83 135.00 127.19 1xpw n PRO 82 Ca -0.09 -0.56 -0.10 0.00 -0.04 0.00 0.00 63.50 62.71 1xpw n PRO 82 Cb 0.52 -1.22 -0.10 0.00 -0.04 0.00 0.00 33.50 32.67 1xpw n PRO 82 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1xpw s VAL 83 N -0.67 0.07 -0.06 0.52 -7.23 -1.26 -5.05 120.40 106.71 1xpw s VAL 83 Ca 0.11 -1.90 -0.05 0.00 -1.81 0.00 0.00 61.98 58.34 1xpw s VAL 83 Cb 0.09 -2.18 0.02 0.00 0.56 0.00 0.00 36.38 34.87 1xpw s VAL 83 CO 0.01 -0.30 0.09 -0.67 -0.31 0.00 0.00 175.10 173.93 1xpw n ASP 84 N -0.16 -5.18 -4.32 4.85 2.03 -1.26 -4.97 116.55 107.55 1xpw n ASP 84 Ca -0.03 1.41 -0.20 0.00 0.52 0.00 0.00 54.79 56.49 1xpw n ASP 84 Cb 0.64 -4.62 -0.11 0.00 -0.72 0.00 0.00 41.12 36.31 1xpw n ASP 84 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1xpw s PHE 85 N -0.53 1.71 -0.07 -0.67 0.08 -1.26 -4.76 117.98 112.47 1xpw s PHE 85 Ca -0.10 -0.52 0.03 0.00 0.12 0.00 0.00 56.93 56.46 1xpw s PHE 85 Cb 0.01 -0.84 -0.02 0.00 -0.57 0.00 0.00 43.02 41.60 1xpw s PHE 85 CO 0.28 0.30 -0.17 -1.21 -0.10 0.00 0.00 175.22 174.33 1xpw s GLU 86 N -3.01 2.73 -0.25 0.44 0.41 0.49 -4.95 118.70 114.55 1xpw s GLU 86 Ca 0.16 -0.74 -0.29 0.00 -0.41 0.00 0.00 54.97 53.69 1xpw s GLU 86 Cb -0.04 -2.39 -0.01 0.00 -1.78 0.00 0.00 34.13 29.91 1xpw s GLU 86 CO 0.06 0.46 1.32 -0.65 -0.49 0.00 0.00 175.26 175.96 1xpw s GLN 87 N -0.32 4.01 0.00 1.61 1.11 -1.26 -0.38 119.66 124.43 1xpw s GLN 87 Ca 0.02 1.42 0.00 0.00 0.01 0.00 0.00 55.36 56.82 1xpw s GLN 87 Cb -0.13 -3.85 0.00 0.00 -1.01 0.00 0.00 33.01 28.02 1xpw s GLN 87 CO 0.02 -1.00 0.00 1.87 0.01 0.00 0.00 175.29 176.20 1xpw n TRP 88 N 7.35 0.00 -3.58 0.91 -0.00 -0.92 -4.91 117.44 116.29 1xpw n TRP 88 Ca 0.15 0.00 -0.24 0.00 -0.00 0.00 0.00 57.50 57.41 1xpw n TRP 88 Cb 0.46 -0.03 -0.16 0.00 -0.00 0.00 0.00 31.31 31.58 1xpw n TRP 88 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 177.69 178.65 1xpw s ILE 89 N -0.14 -0.15 -0.49 5.87 -4.36 -0.88 -5.04 121.20 116.02 1xpw s ILE 89 Ca 0.00 -0.15 -0.17 0.00 -0.26 0.00 0.00 60.65 60.07 1xpw s ILE 89 Cb 0.00 -0.60 0.07 0.00 1.25 0.00 0.00 42.46 43.18 1xpw s ILE 89 CO 0.00 -0.26 0.51 -0.70 0.24 0.00 0.00 174.94 174.72 1xpw s GLU 90 N 2.18 3.05 0.02 0.37 2.12 -1.26 -1.58 118.70 123.60 1xpw s GLU 90 Ca 0.03 -1.13 0.05 0.00 0.36 0.00 0.00 54.97 54.28 1xpw s GLU 90 Cb -0.16 -4.12 -0.03 0.00 0.26 0.00 0.00 34.13 30.08 1xpw s GLU 90 CO -0.10 -1.12 -0.11 0.21 -0.54 0.00 0.00 175.26 173.60 1xpw s LYS 91 N 2.11 2.37 0.06 4.30 2.20 0.45 -4.93 119.74 126.30 1xpw s LYS 91 Ca 0.09 -0.82 -0.02 0.00 -0.36 0.00 0.00 55.97 54.86 1xpw s LYS 91 Cb -0.22 -2.38 -0.04 0.00 -1.51 0.00 0.00 37.83 33.68 1xpw s LYS 91 CO 0.09 0.58 0.24 0.16 -0.36 0.00 0.00 175.35 176.06 1xpw s ASP 92 N -1.44 6.40 0.43 1.43 -4.77 -1.26 -0.92 116.67 116.54 1xpw s ASP 92 Ca 0.16 0.36 0.04 0.00 -3.30 0.00 0.00 52.55 49.82 1xpw s ASP 92 Cb -0.11 -2.00 -0.05 0.00 -1.09 0.00 0.00 42.92 39.67 1xpw s ASP 92 CO 0.07 0.17 0.02 -0.76 0.70 0.00 0.00 175.17 175.37 1xpw s LEU 93 N -2.40 2.52 0.01 2.11 1.43 -0.58 -4.99 118.68 116.79 1xpw s LEU 93 Ca 0.34 -1.49 -0.01 0.00 -1.03 0.00 0.00 54.13 51.94 1xpw s LEU 93 Cb -0.13 -0.72 -0.04 0.00 0.03 0.00 0.00 46.19 45.34 1xpw s LEU 93 CO 0.25 -0.64 0.15 -0.69 0.23 0.00 0.00 176.35 175.65 1xpw s VAL 94 N -2.88 5.16 -0.37 -1.59 1.01 -1.26 -4.73 120.40 115.74 1xpw s VAL 94 Ca 0.24 -0.32 -0.27 0.00 0.00 0.00 0.00 61.98 61.63 1xpw s VAL 94 Cb 0.06 -3.43 -0.05 0.00 0.00 0.00 0.00 36.38 32.97 1xpw s VAL 94 CO 0.12 0.28 2.15 -2.28 0.00 0.00 0.00 175.10 175.38 1xpw s HIS 95 N -1.33 1.32 -0.27 5.22 2.46 -1.26 -4.82 115.29 116.61 1xpw s HIS 95 Ca 0.28 0.90 -0.19 0.00 0.47 0.00 0.00 55.06 56.52 1xpw s HIS 95 Cb -0.12 -3.88 -0.02 0.00 -0.13 0.00 0.00 32.58 28.43 1xpw s HIS 95 CO 0.19 -3.17 0.57 0.95 -2.47 0.00 0.00 174.74 170.81 1xpw s THR 96 N 9.33 5.02 -0.29 0.89 -4.23 -1.26 -5.04 115.64 120.06 1xpw s THR 96 Ca 0.92 0.93 -0.09 0.00 -1.18 0.00 0.00 61.69 62.26 1xpw s THR 96 Cb -0.24 -3.89 -0.02 0.00 1.34 0.00 0.00 72.50 69.69 1xpw s THR 96 CO 0.30 0.02 0.14 -1.61 -0.54 0.00 0.00 174.62 172.93 1xpw s GLU 97 N 2.42 3.58 -1.43 3.99 0.41 -1.26 -4.15 118.70 122.27 1xpw s GLU 97 Ca 0.23 -0.55 -0.09 0.00 -0.41 0.00 0.00 54.97 54.15 1xpw s GLU 97 Cb -0.15 -3.52 0.03 0.00 -1.78 0.00 0.00 34.13 28.71 1xpw s GLU 97 CO 0.10 -0.29 1.02 0.41 -0.49 0.00 0.00 175.26 176.00 1xpw n GLY 98 N 4.99 -0.53 2.87 -1.39 0.00 -1.26 -4.97 105.19 104.89 1xpw n GLY 98 Ca -0.15 0.22 -0.17 0.00 0.00 0.00 0.00 46.02 45.92 1xpw n GLY 98 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xpw s GLN 99 N -6.26 0.44 -0.64 1.61 -0.21 -1.26 -5.09 119.66 108.24 1xpw s GLN 99 Ca 0.55 -0.03 -0.17 0.00 0.02 0.00 0.00 55.36 55.73 1xpw s GLN 99 Cb -0.25 -0.52 0.14 0.00 1.00 0.00 0.00 33.01 33.38 1xpw s GLN 99 CO 0.68 -0.05 0.66 -1.17 -2.12 0.00 0.00 175.29 173.29 1xpw s LEU 100 N 0.66 5.99 -0.12 2.90 0.20 -1.26 -4.81 118.68 122.23 1xpw s LEU 100 Ca -0.07 -1.89 -0.04 0.00 0.69 0.00 0.00 54.13 52.82 1xpw s LEU 100 Cb -0.10 -2.25 -0.03 0.00 -0.43 0.00 0.00 46.19 43.37 1xpw s LEU 100 CO -0.01 -0.89 0.01 -1.10 -0.29 0.00 0.00 176.35 174.07 1xpw s GLN 101 N 1.71 3.34 -0.34 1.98 -0.21 -1.26 -5.05 119.66 119.83 1xpw s GLN 101 Ca 0.11 -0.40 -0.15 0.00 0.02 0.00 0.00 55.36 54.93 1xpw s GLN 101 Cb -0.22 -2.92 -0.01 0.00 1.00 0.00 0.00 33.01 30.86 1xpw s GLN 101 CO 0.01 0.53 0.36 -0.80 -2.12 0.00 0.00 175.29 173.27 1xpw s ASN 102 N -0.40 6.18 -0.12 5.90 0.02 -1.26 -3.63 114.94 121.63 1xpw s ASN 102 Ca 0.08 -0.20 -0.18 0.00 -1.02 0.00 0.00 52.86 51.54 1xpw s ASN 102 Cb -0.12 -2.20 -0.04 0.00 0.02 0.00 0.00 41.25 38.91 1xpw s ASN 102 CO 0.02 -0.33 0.47 -1.61 0.02 0.00 0.00 177.10 175.67 1xpw s GLU 103 N 2.03 4.34 -0.47 -0.60 0.41 0.07 -4.91 118.70 119.57 1xpw s GLU 103 Ca 0.12 0.43 -0.08 0.00 -0.41 0.00 0.00 54.97 55.03 1xpw s GLU 103 Cb -0.16 -3.44 0.12 0.00 -1.78 0.00 0.00 34.13 28.87 1xpw s GLU 103 CO 0.12 0.16 0.33 -1.21 -0.49 0.00 0.00 175.26 174.17 1xpw s GLU 104 N 0.61 2.42 -0.28 1.61 2.02 -1.26 -0.60 118.70 123.21 1xpw s GLU 104 Ca 0.25 -1.79 -0.12 0.00 0.02 0.00 0.00 54.97 53.33 1xpw s GLU 104 Cb -0.15 -3.88 -0.04 0.00 0.10 0.00 0.00 34.13 30.16 1xpw s GLU 104 CO 0.10 -1.18 0.23 0.42 0.02 0.00 0.00 175.26 174.85 1xpw s ILE 105 N 1.30 5.28 -0.80 -1.63 1.09 0.16 -4.97 121.20 121.62 1xpw s ILE 105 Ca 0.06 0.21 -0.26 0.00 -1.10 0.00 0.00 60.65 59.57 1xpw s ILE 105 Cb -0.26 -3.58 0.03 0.00 -1.06 0.00 0.00 42.46 37.59 1xpw s ILE 105 CO -0.01 0.21 1.41 0.54 -0.10 0.00 0.00 174.94 176.99 1xpw s VAL 106 N 1.82 3.72 -0.19 2.92 0.11 -1.26 -0.39 120.40 127.13 1xpw s VAL 106 Ca 0.08 0.06 -0.01 0.00 -2.93 0.00 0.00 61.98 59.19 1xpw s VAL 106 Cb -0.16 -4.81 0.05 0.00 -1.53 0.00 0.00 36.38 29.93 1xpw s VAL 106 CO 0.11 -1.74 -0.03 0.00 -3.33 0.00 0.00 175.10 170.11 1xpw s ALA 107 N 6.09 1.46 -0.37 1.54 0.00 -1.21 -4.96 121.76 124.31 1xpw s ALA 107 Ca 0.43 -0.92 -0.12 0.00 0.00 0.00 0.00 51.96 51.34 1xpw s ALA 107 Cb -0.06 -1.22 0.01 0.00 0.00 0.00 0.00 23.12 21.85 1xpw s ALA 107 CO 0.09 -1.01 0.23 -1.01 0.00 0.00 0.00 175.76 174.06 1xpw s HIS 108 N 1.64 3.23 -0.04 0.00 3.76 -1.25 -2.49 115.29 120.14 1xpw s HIS 108 Ca -0.02 -0.64 -0.29 0.00 -0.15 0.00 0.00 55.06 53.97 1xpw s HIS 108 Cb -0.17 -2.48 0.11 0.00 1.11 0.00 0.00 32.58 31.15 1xpw s HIS 108 CO -0.07 -0.54 0.90 0.20 -0.85 0.00 0.00 174.74 174.37 1xpw s GLY 109 N 1.63 -0.43 -0.12 -2.22 0.00 0.62 -4.99 107.32 101.81 1xpw s GLY 109 Ca 0.04 1.22 -0.05 0.00 0.00 0.00 0.00 44.72 45.93 1xpw s GLY 109 CO 0.08 0.49 0.05 -1.35 0.00 0.00 0.00 173.10 172.38 1xpw s SER 110 N -2.17 5.61 0.15 1.64 1.04 -1.26 -0.16 113.70 118.56 1xpw s SER 110 Ca 0.03 0.20 -0.17 0.00 0.48 0.00 0.00 55.95 56.48 1xpw s SER 110 Cb -0.01 -1.77 0.04 0.00 0.10 0.00 0.00 66.02 64.37 1xpw s SER 110 CO -0.06 0.32 0.46 0.00 0.98 0.00 0.00 173.24 174.94 1xpw s ALA 111 N -0.51 -1.00 0.00 5.32 0.00 -1.02 -4.67 121.76 119.88 1xpw s ALA 111 Ca 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.01 1xpw s ALA 111 Cb -0.12 0.77 0.00 0.00 0.00 0.00 0.00 23.12 23.77 1xpw s ALA 111 CO 0.02 -0.71 0.00 0.25 0.00 0.00 0.00 175.76 175.32 1xpw n THR 112 N -0.28 0.00 -4.55 0.00 -2.24 0.58 -3.01 114.28 104.78 1xpw n THR 112 Ca -0.14 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.36 1xpw n THR 112 Cb 0.63 -0.72 -0.17 0.00 -2.10 0.00 0.00 70.33 67.98 1xpw n THR 112 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1xpw s TYR 113 N -1.90 1.95 -0.20 4.78 2.02 0.40 -0.49 117.35 123.92 1xpw s TYR 113 Ca 0.00 -0.88 -0.02 0.00 -0.37 0.00 0.00 57.07 55.81 1xpw s TYR 113 Cb 0.00 -1.39 -0.00 0.00 -0.40 0.00 0.00 41.96 40.17 1xpw s TYR 113 CO 0.00 -0.44 -0.10 -0.51 -1.57 0.00 0.00 175.55 172.93 1xpw s LEU 114 N 0.87 2.62 -0.47 -1.29 1.43 -0.87 -0.44 118.68 120.53 1xpw s LEU 114 Ca -0.09 -0.47 -0.10 0.00 -1.03 0.00 0.00 54.13 52.45 1xpw s LEU 114 Cb -0.15 -1.64 0.12 0.00 0.03 0.00 0.00 46.19 44.54 1xpw s LEU 114 CO 0.00 0.01 0.35 -0.60 0.23 0.00 0.00 176.35 176.34 1xpw s ARG 115 N 1.28 2.52 -0.32 1.70 3.52 0.45 -0.36 118.95 127.73 1xpw s ARG 115 Ca 0.03 -1.73 -0.27 0.00 -0.13 0.00 0.00 55.73 53.64 1xpw s ARG 115 Cb -0.14 -3.93 0.01 0.00 -1.56 0.00 0.00 34.95 29.33 1xpw s ARG 115 CO -0.05 -1.18 0.97 -0.06 -0.81 0.00 0.00 175.30 174.17 1xpw s PHE 116 N 1.38 3.16 -0.33 5.12 0.40 -0.08 -1.88 117.98 125.76 1xpw s PHE 116 Ca 0.05 1.02 -0.02 0.00 -0.60 0.00 0.00 56.93 57.38 1xpw s PHE 116 Cb -0.26 -3.54 0.06 0.00 0.51 0.00 0.00 43.02 39.79 1xpw s PHE 116 CO -0.00 -0.71 0.05 0.42 0.70 0.00 0.00 175.22 175.68 1xpw s ILE 117 N 3.41 3.05 -0.84 0.64 1.01 0.44 -1.55 121.20 127.37 1xpw s ILE 117 Ca 0.40 -1.57 -0.20 0.00 0.00 0.00 0.00 60.65 59.28 1xpw s ILE 117 Cb -0.13 -2.85 0.10 0.00 0.01 0.00 0.00 42.46 39.59 1xpw s ILE 117 CO 0.15 -0.26 1.09 -0.63 0.00 0.00 0.00 174.94 175.29 1xpw s ILE 118 N 1.22 4.52 0.07 2.92 1.01 0.45 -0.40 121.20 130.99 1xpw s ILE 118 Ca -0.01 -1.07 -0.22 0.00 0.00 0.00 0.00 60.65 59.34 1xpw s ILE 118 Cb -0.20 -4.77 -0.14 0.00 0.01 0.00 0.00 42.46 37.37 1xpw s ILE 118 CO -0.02 -1.52 1.63 0.58 0.00 0.00 0.00 174.94 175.61 1xpw h VAL 119 N 5.96 1.11 -3.32 2.92 2.07 -1.58 -2.14 116.25 121.28 1xpw h VAL 119 Ca -0.00 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 1xpw h VAL 119 Cb 1.04 1.21 -0.09 0.00 -1.52 0.00 0.00 31.29 31.93 1xpw h VAL 119 CO 1.16 0.10 0.03 -0.44 0.02 0.00 0.00 177.57 178.44 1xpw s SER 120 N -5.40 -0.24 0.27 0.57 0.01 -1.26 -3.69 113.70 103.96 1xpw s SER 120 Ca -0.14 -0.55 0.02 0.00 1.31 0.00 0.00 55.95 56.60 1xpw s SER 120 Cb 0.06 0.59 -0.05 0.00 0.21 0.00 0.00 66.02 66.83 1xpw s SER 120 CO 0.68 -1.09 0.06 0.00 0.41 0.00 0.00 173.24 173.30 1xpw s ALA 121 N -3.90 1.90 -1.14 1.44 0.00 -1.26 -1.88 121.76 116.93 1xpw s ALA 121 Ca 0.11 -1.89 0.15 0.00 0.00 0.00 0.00 51.96 50.33 1xpw s ALA 121 Cb -0.01 0.81 0.68 0.00 0.00 0.00 0.00 23.12 24.60 1xpw s ALA 121 CO -0.00 -0.37 1.46 1.19 0.00 0.00 0.00 175.76 178.04 1xpw n PHE 122 N -0.51 0.00 -4.09 0.00 3.72 -0.89 -4.76 117.46 110.94 1xpw n PHE 122 Ca -0.02 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.33 1xpw n PHE 122 Cb 0.66 -0.43 -0.02 0.00 -0.94 0.00 0.00 39.48 38.75 1xpw n PHE 122 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1xpw n ASP 123 N -1.43 0.40 -0.27 4.37 2.03 -1.26 -5.05 116.55 115.34 1xpw n ASP 123 Ca 0.05 -1.49 0.12 0.00 0.52 0.00 0.00 54.79 53.98 1xpw n ASP 123 Cb 0.16 0.31 0.12 0.00 -0.72 0.00 0.00 41.12 40.99 1xpw n ASP 123 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1xpw n HIS 124 N -0.17 0.00 -4.11 -0.67 8.25 -1.26 -4.85 115.22 112.40 1xpw n HIS 124 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.11 1xpw n HIS 124 Cb 0.14 -0.07 -0.09 0.00 1.12 0.00 0.00 29.99 31.09 1xpw n HIS 124 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1xpw s PHE 125 N -2.64 3.26 -0.09 4.41 0.08 -1.26 -4.42 117.98 117.32 1xpw s PHE 125 Ca 0.18 0.13 -0.02 0.00 0.12 0.00 0.00 56.93 57.34 1xpw s PHE 125 Cb 0.18 -1.98 0.03 0.00 -0.57 0.00 0.00 43.02 40.68 1xpw s PHE 125 CO 0.62 0.30 0.02 0.00 -0.10 0.00 0.00 175.22 176.06 1xpw s ALA 126 N -0.13 0.67 -0.06 5.36 0.00 -1.26 -4.59 121.76 121.75 1xpw s ALA 126 Ca 0.06 -0.17 -0.03 0.00 0.00 0.00 0.00 51.96 51.83 1xpw s ALA 126 Cb -0.12 -0.80 0.04 0.00 0.00 0.00 0.00 23.12 22.24 1xpw s ALA 126 CO 0.01 -0.58 0.12 -1.12 0.00 0.00 0.00 175.76 174.19 1xpw s SER 127 N 1.99 0.65 -0.19 0.00 0.01 -1.25 -2.82 113.70 112.08 1xpw s SER 127 Ca 0.04 0.22 -0.09 0.00 1.31 0.00 0.00 55.95 57.43 1xpw s SER 127 Cb -0.13 0.11 -0.05 0.00 0.21 0.00 0.00 66.02 66.16 1xpw s SER 127 CO -0.05 -0.22 0.12 0.54 0.41 0.00 0.00 173.24 174.04 1xpw s VAL 128 N 1.95 5.32 -0.10 3.43 0.11 -0.97 -0.79 120.40 129.35 1xpw s VAL 128 Ca 0.00 0.16 -0.03 0.00 -2.93 0.00 0.00 61.98 59.18 1xpw s VAL 128 Cb -0.12 -3.42 -0.03 0.00 -1.53 0.00 0.00 36.38 31.28 1xpw s VAL 128 CO -0.05 0.45 0.10 -0.74 -3.33 0.00 0.00 175.10 171.53 1xpw h HIS 129 N 6.60 -0.03 -2.94 1.54 2.76 -0.96 -2.01 115.15 120.12 1xpw h HIS 129 Ca -0.41 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 57.74 1xpw h HIS 129 Cb 1.16 0.01 -0.12 0.00 1.55 0.00 0.00 27.41 30.00 1xpw h HIS 129 CO 0.58 0.06 0.22 -1.12 -1.30 0.00 0.00 177.93 176.38 1xpw s SER 130 N -5.57 -0.57 0.34 3.26 0.01 -0.96 -4.32 113.70 105.89 1xpw s SER 130 Ca -0.02 0.03 0.04 0.00 1.31 0.00 0.00 55.95 57.31 1xpw s SER 130 Cb -0.00 0.59 -0.06 0.00 0.21 0.00 0.00 66.02 66.76 1xpw s SER 130 CO 0.07 -0.94 0.06 0.68 0.41 0.00 0.00 173.24 173.52 1xpw s VAL 131 N -3.63 1.14 -0.15 3.43 -7.23 -1.26 -1.78 120.40 110.92 1xpw s VAL 131 Ca 0.01 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.10 1xpw s VAL 131 Cb -0.01 -2.74 0.06 0.00 0.56 0.00 0.00 36.38 34.24 1xpw s VAL 131 CO -0.12 0.00 0.35 -0.44 -0.31 0.00 0.00 175.10 174.58 1xpw s SER 132 N -3.51 -0.37 -0.39 4.85 0.01 -0.29 -4.76 113.70 109.24 1xpw s SER 132 Ca 0.35 0.77 -0.10 0.00 1.31 0.00 0.00 55.95 58.28 1xpw s SER 132 Cb 0.08 0.69 0.05 0.00 0.21 0.00 0.00 66.02 67.05 1xpw s SER 132 CO 0.15 -0.19 0.22 0.00 0.41 0.00 0.00 173.24 173.83 1xpw s ALA 133 N 1.49 3.26 -0.23 1.44 0.00 -1.26 -0.71 121.76 125.74 1xpw s ALA 133 Ca -0.08 -1.92 -0.14 0.00 0.00 0.00 0.00 51.96 49.81 1xpw s ALA 133 Cb -0.09 -2.59 -0.04 0.00 0.00 0.00 0.00 23.12 20.40 1xpw s ALA 133 CO -0.11 -1.51 0.32 -1.21 0.00 0.00 0.00 175.76 173.25 1xpw s GLU 134 N 1.48 4.10 0.00 0.00 2.02 0.45 -1.58 118.70 125.16 1xpw s GLU 134 Ca 0.02 0.02 0.00 0.00 0.02 0.00 0.00 54.97 55.02 1xpw s GLU 134 Cb -0.21 -3.57 0.00 0.00 0.10 0.00 0.00 34.13 30.45 1xpw s GLU 134 CO 0.04 -0.08 0.00 0.41 0.02 0.00 0.00 175.26 175.65 1xpw n GLY 135 N 4.25 -0.86 3.07 -1.39 0.00 -1.24 -0.35 105.19 108.67 1xpw n GLY 135 Ca -0.10 -0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.64 1xpw n GLY 135 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xpw s THR 136 N -4.00 0.39 -0.41 2.61 -4.23 -0.09 -1.65 115.64 108.25 1xpw s THR 136 Ca 0.00 -1.42 -0.26 0.00 -1.18 0.00 0.00 61.69 58.83 1xpw s THR 136 Cb 0.00 -1.00 0.02 0.00 1.34 0.00 0.00 72.50 72.86 1xpw s THR 136 CO 0.00 -0.68 0.97 -0.69 -0.54 0.00 0.00 174.62 173.68 1xpw s VAL 137 N -2.56 4.48 -0.04 2.29 1.01 -1.26 -0.40 120.40 123.91 1xpw s VAL 137 Ca -0.02 1.09 -0.11 0.00 0.00 0.00 0.00 61.98 62.94 1xpw s VAL 137 Cb -0.02 -4.42 -0.06 0.00 0.00 0.00 0.00 36.38 31.88 1xpw s VAL 137 CO -0.04 -0.71 0.48 0.58 0.00 0.00 0.00 175.10 175.41 1xpw h VAL 138 N 5.97 0.00 -2.19 2.92 2.07 -1.43 -3.47 116.25 120.13 1xpw h VAL 138 Ca -0.23 -0.61 -0.09 0.00 0.82 0.00 0.00 66.70 66.59 1xpw h VAL 138 Cb 1.07 0.00 -0.27 0.00 -1.52 0.00 0.00 31.29 30.57 1xpw h VAL 138 CO 1.02 0.00 -0.38 -0.44 0.02 0.00 0.00 177.57 177.80 1xpw s SER 139 N -4.79 -0.25 1.08 0.57 0.01 -0.13 -5.03 113.70 105.16 1xpw s SER 139 Ca -0.06 0.80 -0.12 0.00 1.31 0.00 0.00 55.95 57.88 1xpw s SER 139 Cb 0.01 1.40 0.24 0.00 0.21 0.00 0.00 66.02 67.87 1xpw s SER 139 CO 0.17 -0.25 1.06 0.20 0.41 0.00 0.00 173.24 174.83 1xpw s ASN 140 N 2.63 1.70 0.12 2.44 0.01 -1.26 -0.46 114.94 120.11 1xpw s ASN 140 Ca 0.04 1.64 -0.31 0.00 -0.71 0.00 0.00 52.86 53.52 1xpw s ASN 140 Cb -0.13 -2.32 -0.10 0.00 0.41 0.00 0.00 41.25 39.10 1xpw s ASN 140 CO -0.15 -3.77 1.85 -1.48 -1.51 0.00 0.00 177.10 172.04 1xpw s LEU 141 N -6.96 4.41 0.04 0.60 0.05 -1.25 -4.72 118.68 110.85 1xpw s LEU 141 Ca 0.67 2.77 -0.28 0.00 0.05 0.00 0.00 54.13 57.34 1xpw s LEU 141 Cb -0.23 -3.56 0.09 0.00 -2.05 0.00 0.00 46.19 40.44 1xpw s LEU 141 CO 0.62 -1.02 1.06 -0.55 -0.55 0.00 0.00 176.35 175.92 1xpw s SER 142 N 2.89 -0.17 0.00 1.48 0.15 -1.26 -5.11 113.70 111.67 1xpw s SER 142 Ca 0.82 -0.21 0.15 0.00 0.70 0.00 0.00 55.95 57.41 1xpw s SER 142 Cb -0.46 0.34 0.12 0.00 -1.71 0.00 0.00 66.02 64.31 1xpw s SER 142 CO 0.37 -0.61 0.98 -0.24 1.20 0.00 0.00 173.24 174.94