#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 2.06 -3.73 0.03 1.85 -1.26 -4.98 116.66 110.63 1xpw n ARG 2 Ca 0.00 -4.08 -0.30 0.00 -1.00 0.00 0.00 57.85 52.47 1xpw n ARG 2 Cb 0.00 -1.96 -0.14 0.00 -1.05 0.00 0.00 32.46 29.32 1xpw n ARG 2 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 1xpw s LYS 3 N -2.94 1.11 -0.05 2.89 2.20 -1.24 -1.42 119.74 120.29 1xpw s LYS 3 Ca 0.44 -1.70 0.01 0.00 -0.36 0.00 0.00 55.97 54.36 1xpw s LYS 3 Cb 0.32 -2.26 0.02 0.00 -1.51 0.00 0.00 37.83 34.40 1xpw s LYS 3 CO -0.11 -1.10 -0.04 -1.50 -0.36 0.00 0.00 175.35 172.25 1xpw s ILE 4 N 0.79 0.51 -0.36 5.43 2.07 -1.19 -4.92 121.20 123.53 1xpw s ILE 4 Ca 0.15 -0.09 -0.27 0.00 -1.41 0.00 0.00 60.65 59.03 1xpw s ILE 4 Cb -0.22 -0.56 -0.04 0.00 0.13 0.00 0.00 42.46 41.77 1xpw s ILE 4 CO -0.08 0.23 2.11 -0.62 -1.91 0.00 0.00 174.94 174.67 1xpw s ASP 5 N 1.08 5.31 0.00 4.50 -1.08 -1.26 -4.22 116.67 121.01 1xpw s ASP 5 Ca -0.08 1.35 0.29 0.00 -0.52 0.00 0.00 52.55 53.59 1xpw s ASP 5 Cb -0.14 -2.51 1.34 0.00 -1.46 0.00 0.00 42.92 40.15 1xpw s ASP 5 CO -0.01 -2.16 1.92 0.18 0.52 0.00 0.00 175.17 175.62 1xpw n LEU 6 N 12.44 0.61 0.03 -1.34 4.77 -0.07 -3.32 117.00 130.12 1xpw n LEU 6 Ca 0.28 -0.12 0.11 0.00 -0.03 0.00 0.00 56.01 56.25 1xpw n LEU 6 Cb 0.49 -0.09 0.03 0.00 -2.33 0.00 0.00 43.42 41.51 1xpw n LEU 6 CO 0.68 0.11 0.01 0.00 -1.33 0.00 0.00 177.39 176.87 1xpw s LEU 8 N -3.88 4.37 0.61 0.00 1.43 -1.21 -4.53 118.68 115.47 1xpw s LEU 8 Ca 0.04 2.66 0.40 0.00 -1.03 0.00 0.00 54.13 56.20 1xpw s LEU 8 Cb 0.14 -3.60 1.94 0.00 0.03 0.00 0.00 46.19 44.70 1xpw s LEU 8 CO 0.80 -0.81 2.19 0.77 0.23 0.00 0.00 176.35 179.53 1xpw h SER 9 N 6.29 0.00 1.02 2.29 4.64 -0.45 -1.09 113.55 126.26 1xpw h SER 9 Ca -0.44 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.84 1xpw h SER 9 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 1xpw h SER 9 CO 0.88 0.00 -0.23 0.28 -0.87 0.00 0.00 176.83 176.89 1xpw h SER 10 N 0.00 0.00 -0.56 4.97 0.02 -1.85 -1.99 113.55 114.14 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 0.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1xpw h SER 10 CO 0.00 0.23 0.00 -0.62 -1.14 0.00 0.00 176.83 175.30 1xpw n GLU 11 N -3.35 2.32 -0.31 3.45 -0.58 -0.45 -4.90 120.64 116.82 1xpw n GLU 11 Ca 0.00 -2.05 0.00 0.00 -0.42 0.00 0.00 57.16 54.70 1xpw n GLU 11 Cb 0.45 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 29.88 1xpw n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xpw n GLY 12 N 1.41 0.84 3.85 0.62 0.00 -0.75 -5.00 105.19 106.16 1xpw n GLY 12 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.03 6.78 0.07 1.61 0.01 -0.99 -4.53 113.70 114.62 1xpw s SER 13 Ca 0.00 1.25 0.04 0.00 1.31 0.00 0.00 55.95 58.54 1xpw s SER 13 Cb 0.00 -2.36 -0.03 0.00 0.21 0.00 0.00 66.02 63.84 1xpw s SER 13 CO 0.00 -0.17 -0.11 -0.70 0.41 0.00 0.00 173.24 172.67 1xpw s GLU 14 N -2.87 0.72 -0.31 12.44 -6.30 -0.42 -3.95 118.70 118.01 1xpw s GLU 14 Ca 0.52 -0.93 -0.04 0.00 -2.50 0.00 0.00 54.97 52.03 1xpw s GLU 14 Cb -0.11 -0.58 0.04 0.00 0.00 0.00 0.00 34.13 33.48 1xpw s GLU 14 CO 0.18 0.12 0.04 0.54 0.02 0.00 0.00 175.26 176.16 1xpw s VAL 15 N -1.54 3.35 0.18 3.70 0.11 -1.26 -0.79 120.40 124.16 1xpw s VAL 15 Ca -0.03 -1.21 0.08 0.00 -2.93 0.00 0.00 61.98 57.89 1xpw s VAL 15 Cb -0.09 -2.88 -0.04 0.00 -1.53 0.00 0.00 36.38 31.84 1xpw s VAL 15 CO 0.01 -0.10 -0.06 -0.51 -3.33 0.00 0.00 175.10 171.12 1xpw s ILE 16 N 1.33 3.40 -0.61 7.04 2.07 0.48 -4.69 121.20 130.22 1xpw s ILE 16 Ca -0.03 -1.58 0.00 0.00 -1.41 0.00 0.00 60.65 57.63 1xpw s ILE 16 Cb -0.19 -2.70 0.00 0.00 0.13 0.00 0.00 42.46 39.70 1xpw s ILE 16 CO 0.00 -0.12 0.00 -0.11 -1.91 0.00 0.00 174.94 172.80 1xpw n LEU 17 N -0.06 -0.44 -4.65 8.50 7.94 -1.26 -0.41 117.00 126.62 1xpw n LEU 17 Ca -0.10 0.14 -0.42 0.00 -1.11 0.00 0.00 56.01 54.52 1xpw n LEU 17 Cb 0.55 -1.15 -0.03 0.00 0.53 0.00 0.00 43.42 43.32 1xpw n LEU 17 CO 0.37 -0.30 1.57 0.00 -1.11 0.00 0.00 177.39 177.92 1xpw s ALA 18 N -2.22 3.41 0.02 1.96 0.00 -1.26 -4.31 121.76 119.35 1xpw s ALA 18 Ca 0.00 1.05 -0.25 0.00 0.00 0.00 0.00 51.96 52.76 1xpw s ALA 18 Cb 0.00 -3.87 -0.14 0.00 0.00 0.00 0.00 23.12 19.12 1xpw s ALA 18 CO 0.00 -1.79 1.12 1.79 0.00 0.00 0.00 175.76 176.88 1xpw h THR 19 N 5.94 0.00 -3.30 0.00 1.35 -1.91 -3.40 112.91 111.59 1xpw h THR 19 Ca -0.44 -0.22 -0.73 0.00 -0.55 0.00 0.00 66.41 64.47 1xpw h THR 19 Cb 1.22 0.00 -0.26 0.00 -1.73 0.00 0.00 68.15 67.37 1xpw h THR 19 CO 0.95 0.00 -0.36 -0.94 -0.25 0.00 0.00 175.52 174.92 1xpw s SER 20 N -4.12 5.88 -0.26 5.36 1.04 -1.26 -5.05 113.70 115.29 1xpw s SER 20 Ca -0.13 -1.65 -0.19 0.00 0.48 0.00 0.00 55.95 54.46 1xpw s SER 20 Cb 0.01 -2.08 -0.02 0.00 0.10 0.00 0.00 66.02 64.03 1xpw s SER 20 CO 0.39 -0.68 0.55 -0.94 0.98 0.00 0.00 173.24 173.55 1xpw s SER 21 N 2.70 6.47 0.07 7.02 1.04 -1.26 -4.80 113.70 124.95 1xpw s SER 21 Ca 0.04 0.57 -0.05 0.00 0.48 0.00 0.00 55.95 56.99 1xpw s SER 21 Cb -0.26 -2.30 -0.05 0.00 0.10 0.00 0.00 66.02 63.52 1xpw s SER 21 CO 0.02 -0.31 0.31 -0.62 0.98 0.00 0.00 173.24 173.62 1xpw s ASP 22 N 1.53 6.49 -0.01 7.02 -1.08 -1.26 -5.01 116.67 124.35 1xpw s ASP 22 Ca 0.23 0.55 0.22 0.00 -0.52 0.00 0.00 52.55 53.03 1xpw s ASP 22 Cb -0.16 -2.08 -0.29 0.00 -1.46 0.00 0.00 42.92 38.93 1xpw s ASP 22 CO 0.09 0.16 0.53 -0.62 0.52 0.00 0.00 175.17 175.85 1xpw n GLU 23 N 0.60 0.65 -0.02 4.34 1.02 -1.26 -2.81 120.64 123.16 1xpw n GLU 23 Ca -0.07 -0.15 -0.09 0.00 -0.02 0.00 0.00 57.16 56.84 1xpw n GLU 23 Cb 0.52 -1.56 -0.14 0.00 -0.02 0.00 0.00 31.44 30.24 1xpw n GLU 23 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1xpw h LYS 24 N 0.00 0.00 -2.78 3.49 3.64 -2.01 -3.39 116.57 115.52 1xpw h LYS 24 Ca -0.03 -0.01 -0.61 0.00 -1.27 0.00 0.00 60.65 58.74 1xpw h LYS 24 Cb 1.06 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 32.48 1xpw h LYS 24 CO 0.00 0.51 -0.76 -1.01 -2.27 0.00 0.00 179.45 175.92 1xpw s HIS 25 N -2.60 2.33 0.76 1.91 3.76 -1.26 -5.05 115.29 115.14 1xpw s HIS 25 Ca -0.05 -2.79 -0.14 0.00 -0.15 0.00 0.00 55.06 51.93 1xpw s HIS 25 Cb 0.08 -1.86 0.06 0.00 1.11 0.00 0.00 32.58 31.96 1xpw s HIS 25 CO 0.82 -0.70 1.19 -1.25 -0.85 0.00 0.00 174.74 173.96 1xpw s PRO 26 N -0.57 1.98 0.65 8.40 0.04 -1.12 -4.17 135.00 140.22 1xpw s PRO 26 Ca 0.27 1.70 0.39 0.00 0.04 0.00 0.00 61.00 63.40 1xpw s PRO 26 Cb -0.04 -1.82 2.15 0.00 0.04 0.00 0.00 34.50 34.83 1xpw s PRO 26 CO -0.15 -1.94 2.25 -1.35 0.04 0.00 0.00 177.00 175.84 1xpw h PRO 27 N -0.56 0.00 0.00 0.56 0.11 -1.92 -0.89 132.00 129.29 1xpw h PRO 27 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1xpw h PRO 27 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1xpw h PRO 27 CO 0.49 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.67 1xpw n GLU 28 N -3.18 0.16 0.04 1.05 1.02 -1.26 -1.21 120.64 117.27 1xpw n GLU 28 Ca -0.02 0.57 0.13 0.00 -0.02 0.00 0.00 57.16 57.81 1xpw n GLU 28 Cb 0.16 -1.94 0.37 0.00 -0.02 0.00 0.00 31.44 30.01 1xpw n GLU 28 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1xpw n ASN 29 N -2.28 0.49 0.12 1.62 5.03 -0.34 -3.62 115.26 116.29 1xpw n ASN 29 Ca -0.00 0.27 -0.00 0.00 0.87 0.00 0.00 54.58 55.71 1xpw n ASN 29 Cb 0.10 -0.26 0.04 0.00 -1.02 0.00 0.00 39.78 38.65 1xpw n ASN 29 CO 0.00 0.00 0.00 -0.29 -1.83 0.00 0.00 177.26 175.14 1xpw h ILE 30 N 0.00 1.18 -0.49 2.41 2.10 -1.35 -0.34 117.51 121.01 1xpw h ILE 30 Ca 0.00 -2.49 0.00 0.00 1.08 0.00 0.00 64.86 63.45 1xpw h ILE 30 Cb 0.62 2.46 0.00 0.00 -1.09 0.00 0.00 36.82 38.82 1xpw h ILE 30 CO 0.00 0.64 0.00 2.30 -1.08 0.00 0.00 178.15 180.01 1xpw n ILE 31 N -3.35 1.09 -0.01 2.19 -5.35 -1.24 -4.30 119.36 108.39 1xpw n ILE 31 Ca 0.01 -0.79 -0.02 0.00 -0.27 0.00 0.00 62.75 61.67 1xpw n ILE 31 Cb 0.76 0.14 -0.01 0.00 -1.74 0.00 0.00 39.64 38.79 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 0.86 0.79 -0.42 7.28 2.03 -0.93 0.12 116.55 126.28 1xpw n ASP 32 Ca 0.18 0.12 -0.05 0.00 0.52 0.00 0.00 54.79 55.56 1xpw n ASP 32 Cb 0.59 -0.41 -0.02 0.00 -0.72 0.00 0.00 41.12 40.57 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 2.45 0.67 3.83 0.27 0.00 -0.18 -4.91 105.19 107.31 1xpw n GLY 33 Ca -0.04 -0.81 -0.34 0.00 0.00 0.00 0.00 46.02 44.83 1xpw n GLY 33 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xpw s ASN 34 N -2.92 6.93 0.00 1.61 0.01 -1.26 -4.57 114.94 114.75 1xpw s ASN 34 Ca 0.00 1.41 0.00 0.00 -0.71 0.00 0.00 52.86 53.56 1xpw s ASN 34 Cb 0.00 -2.42 0.00 0.00 0.41 0.00 0.00 41.25 39.24 1xpw s ASN 34 CO 0.00 -0.12 0.37 -0.81 -1.51 0.00 0.00 177.10 175.03 1xpw n PRO 35 N 0.08 0.54 -0.09 -0.60 -0.04 -1.26 -2.56 135.00 131.06 1xpw n PRO 35 Ca 0.02 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.28 1xpw n PRO 35 Cb 0.52 -1.17 -0.12 0.00 -0.04 0.00 0.00 33.50 32.69 1xpw n PRO 35 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1xpw n GLU 36 N -0.05 0.67 -3.73 0.54 1.02 -1.26 -5.01 120.64 112.83 1xpw n GLU 36 Ca 0.00 0.20 -0.13 0.00 -0.02 0.00 0.00 57.16 57.21 1xpw n GLU 36 Cb 0.08 -1.58 -0.10 0.00 -0.02 0.00 0.00 31.44 29.83 1xpw n GLU 36 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1xpw s THR 37 N -2.53 0.00 0.22 2.62 -1.32 -1.06 -5.17 115.64 108.41 1xpw s THR 37 Ca -0.31 -0.04 -0.07 0.00 -1.21 0.00 0.00 61.69 60.06 1xpw s THR 37 Cb 0.09 -0.59 -0.02 0.00 -1.51 0.00 0.00 72.50 70.46 1xpw s THR 37 CO 0.64 -0.02 0.30 0.72 -2.21 0.00 0.00 174.62 174.05 1xpw s PHE 38 N 0.07 0.77 0.04 9.09 -0.12 -1.26 -4.25 117.98 122.31 1xpw s PHE 38 Ca -0.01 -1.06 -0.22 0.00 -0.05 0.00 0.00 56.93 55.59 1xpw s PHE 38 Cb -0.03 -0.19 -0.06 0.00 -0.63 0.00 0.00 43.02 42.11 1xpw s PHE 38 CO 0.01 -0.81 0.65 -0.46 -0.05 0.00 0.00 175.22 174.55 1xpw s TRP 39 N -4.09 3.75 -0.02 3.49 -0.00 -1.25 -4.80 118.94 116.02 1xpw s TRP 39 Ca 0.31 1.32 0.07 0.00 -0.00 0.00 0.00 56.10 57.80 1xpw s TRP 39 Cb 0.03 -2.65 -0.02 0.00 -0.00 0.00 0.00 33.47 30.84 1xpw s TRP 39 CO 0.11 0.41 -0.23 0.95 -0.00 0.00 0.00 176.95 178.19 1xpw s THR 40 N -0.49 1.78 0.25 5.86 -4.23 -1.26 -2.85 115.64 114.70 1xpw s THR 40 Ca 0.33 -0.96 -0.30 0.00 -1.18 0.00 0.00 61.69 59.58 1xpw s THR 40 Cb -0.20 -1.48 -0.09 0.00 1.34 0.00 0.00 72.50 72.07 1xpw s THR 40 CO 0.20 0.50 1.04 -0.89 -0.54 0.00 0.00 174.62 174.94 1xpw s THR 41 N -0.50 3.76 -1.02 3.99 2.01 -0.19 -4.78 115.64 118.91 1xpw s THR 41 Ca 0.08 1.73 0.26 0.00 0.31 0.00 0.00 61.69 64.06 1xpw s THR 41 Cb -0.09 -4.10 0.23 0.00 0.01 0.00 0.00 72.50 68.55 1xpw s THR 41 CO -0.01 0.39 1.83 0.35 -0.69 0.00 0.00 174.62 176.50 1xpw n THR 42 N 1.49 0.22 0.00 -0.82 -2.24 -1.26 -4.26 114.28 107.41 1xpw n THR 42 Ca -0.01 0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1xpw n THR 42 Cb 0.46 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 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 1.16 0.96 3.55 3.38 0.00 -1.24 -4.97 105.19 108.03 1xpw n GLY 43 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.24 3.21 0.05 1.61 -1.94 -1.26 -4.97 119.30 115.76 1xpw s MET 44 Ca 0.00 -0.36 0.03 0.00 -1.71 0.00 0.00 55.69 53.65 1xpw s MET 44 Cb 0.00 -4.48 -0.04 0.00 2.01 0.00 0.00 34.83 32.32 1xpw s MET 44 CO 0.00 -2.25 0.03 -0.06 -0.01 0.00 0.00 175.02 172.73 1xpw s PHE 45 N 5.99 3.11 0.58 -0.03 0.08 -1.26 -3.75 117.98 122.69 1xpw s PHE 45 Ca 0.41 0.06 -0.15 0.00 0.12 0.00 0.00 56.93 57.37 1xpw s PHE 45 Cb -0.07 -1.62 -0.05 0.00 -0.57 0.00 0.00 43.02 40.71 1xpw s PHE 45 CO 0.10 0.49 1.03 -1.25 -0.10 0.00 0.00 175.22 175.49 1xpw s PRO 46 N -2.05 3.53 -0.02 0.24 0.04 -1.26 -5.16 135.00 130.33 1xpw s PRO 46 Ca 0.25 1.06 0.01 0.00 0.04 0.00 0.00 61.00 62.35 1xpw s PRO 46 Cb -0.12 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 1xpw s PRO 46 CO 0.17 -0.63 0.02 1.14 0.04 0.00 0.00 177.00 177.73 1xpw s GLN 47 N -4.25 2.88 -0.07 4.56 -2.07 -0.92 -4.99 119.66 114.80 1xpw s GLN 47 Ca 0.61 -0.55 -0.03 0.00 -1.82 0.00 0.00 55.36 53.56 1xpw s GLN 47 Cb -0.13 -2.73 0.04 0.00 -1.09 0.00 0.00 33.01 29.09 1xpw s GLN 47 CO 0.38 0.64 0.16 -1.83 -1.32 0.00 0.00 175.29 173.32 1xpw s GLU 48 N -1.48 0.11 -0.04 9.60 -1.05 -1.26 -1.34 118.70 123.24 1xpw s GLU 48 Ca 0.19 0.37 -0.07 0.00 -0.15 0.00 0.00 54.97 55.31 1xpw s GLU 48 Cb -0.12 -0.15 0.01 0.00 -0.44 0.00 0.00 34.13 33.44 1xpw s GLU 48 CO 0.10 -0.15 0.17 -0.59 0.95 0.00 0.00 175.26 175.74 1xpw s PHE 49 N 1.07 -0.12 -0.31 4.83 -0.12 -1.00 -3.10 117.98 119.23 1xpw s PHE 49 Ca -0.08 0.28 -0.06 0.00 -0.05 0.00 0.00 56.93 57.02 1xpw s PHE 49 Cb -0.10 0.03 0.03 0.00 -0.63 0.00 0.00 43.02 42.34 1xpw s PHE 49 CO -0.06 -0.17 0.07 0.42 -0.05 0.00 0.00 175.22 175.44 1xpw s ILE 50 N -0.45 3.73 -0.38 -4.49 1.01 0.46 -0.62 121.20 120.46 1xpw s ILE 50 Ca -0.05 -0.96 -0.19 0.00 0.00 0.00 0.00 60.65 59.45 1xpw s ILE 50 Cb -0.04 -3.02 0.01 0.00 0.01 0.00 0.00 42.46 39.42 1xpw s ILE 50 CO 0.01 -0.03 0.53 -0.63 0.00 0.00 0.00 174.94 174.82 1xpw s ILE 51 N 1.43 4.98 -0.16 2.92 1.01 0.48 -0.39 121.20 131.46 1xpw s ILE 51 Ca 0.00 0.18 -0.12 0.00 0.00 0.00 0.00 60.65 60.71 1xpw s ILE 51 Cb -0.18 -4.04 -0.05 0.00 0.01 0.00 0.00 42.46 38.20 1xpw s ILE 51 CO 0.02 -0.34 0.23 0.00 0.00 0.00 0.00 174.94 174.84 1xpw h PHE 53 N 6.45 0.00 -0.35 0.00 0.04 -1.14 -1.10 116.94 120.83 1xpw h PHE 53 Ca -0.43 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.19 1xpw h PHE 53 Cb 1.17 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 39.26 1xpw h PHE 53 CO 0.61 0.27 -0.14 1.58 -0.60 0.00 0.00 178.31 180.03 1xpw n HIS 54 N -3.40 0.00 -3.49 -0.55 -0.00 -1.26 -4.04 115.22 102.49 1xpw n HIS 54 Ca 0.00 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.05 1xpw n HIS 54 Cb 0.47 -1.86 -0.04 0.00 -0.12 0.00 0.00 29.99 28.44 1xpw n HIS 54 CO 0.00 0.00 0.00 -1.59 0.46 0.00 0.00 176.34 175.21 1xpw s LYS 55 N -2.30 1.04 -0.57 1.57 -2.85 -1.26 -4.65 119.74 110.71 1xpw s LYS 55 Ca 0.00 -0.15 -0.26 0.00 -1.00 0.00 0.00 55.97 54.56 1xpw s LYS 55 Cb 0.00 0.48 0.03 0.00 -2.06 0.00 0.00 37.83 36.29 1xpw s LYS 55 CO 0.00 -0.40 1.09 -1.58 0.10 0.00 0.00 175.35 174.55 1xpw s HIS 56 N -2.55 2.68 0.40 1.78 5.65 -0.61 -4.75 115.29 117.89 1xpw s HIS 56 Ca -0.02 0.22 0.07 0.00 0.25 0.00 0.00 55.06 55.58 1xpw s HIS 56 Cb -0.01 -4.33 -0.07 0.00 -1.18 0.00 0.00 32.58 26.99 1xpw s HIS 56 CO -0.04 -1.50 0.02 0.14 -0.65 0.00 0.00 174.74 172.71 1xpw s VAL 57 N 4.55 2.08 -0.15 0.89 -7.23 -1.26 -0.37 120.40 118.91 1xpw s VAL 57 Ca 0.37 -1.98 -0.00 0.00 -1.81 0.00 0.00 61.98 58.56 1xpw s VAL 57 Cb -0.10 -2.96 0.04 0.00 0.56 0.00 0.00 36.38 33.92 1xpw s VAL 57 CO 0.22 -0.03 -0.06 -0.60 -0.31 0.00 0.00 175.10 174.33 1xpw s ARG 58 N -3.72 1.49 0.08 4.82 3.52 0.17 -4.02 118.95 121.29 1xpw s ARG 58 Ca 0.36 -0.43 -0.18 0.00 -0.13 0.00 0.00 55.73 55.35 1xpw s ARG 58 Cb 0.08 -1.86 -0.07 0.00 -1.56 0.00 0.00 34.95 31.54 1xpw s ARG 58 CO 0.18 -0.37 0.54 0.42 -0.81 0.00 0.00 175.30 175.27 1xpw s ILE 59 N 1.66 4.80 -0.03 4.11 1.01 -0.19 -2.26 121.20 130.29 1xpw s ILE 59 Ca 0.02 1.08 0.04 0.00 0.00 0.00 0.00 60.65 61.79 1xpw s ILE 59 Cb -0.14 -3.84 -0.06 0.00 0.01 0.00 0.00 42.46 38.43 1xpw s ILE 59 CO -0.08 0.49 0.04 1.21 0.00 0.00 0.00 174.94 176.60 1xpw n GLU 60 N 1.52 2.31 -3.64 2.79 4.07 0.25 -1.23 120.64 126.72 1xpw n GLU 60 Ca -0.10 -0.01 -0.10 0.00 -0.06 0.00 0.00 57.16 56.89 1xpw n GLU 60 Cb 0.51 -1.11 -0.07 0.00 -0.06 0.00 0.00 31.44 30.71 1xpw n GLU 60 CO 0.00 0.00 0.00 0.50 -0.06 0.00 0.00 177.13 177.57 1xpw s ARG 61 N -2.17 0.59 -0.07 5.31 3.52 -1.17 -2.32 118.95 122.64 1xpw s ARG 61 Ca -0.02 0.72 0.01 0.00 -0.13 0.00 0.00 55.73 56.31 1xpw s ARG 61 Cb 0.02 0.27 -0.03 0.00 -1.56 0.00 0.00 34.95 33.65 1xpw s ARG 61 CO 0.18 -0.07 -0.06 -0.51 -0.81 0.00 0.00 175.30 174.02 1xpw s LEU 62 N 0.38 3.20 -0.58 -0.88 1.02 0.26 -0.38 118.68 121.70 1xpw s LEU 62 Ca 0.01 -0.01 -0.08 0.00 0.02 0.00 0.00 54.13 54.07 1xpw s LEU 62 Cb -0.05 -1.70 0.15 0.00 0.02 0.00 0.00 46.19 44.61 1xpw s LEU 62 CO -0.05 0.36 0.46 -0.69 0.02 0.00 0.00 176.35 176.44 1xpw s VAL 63 N -0.82 4.36 -0.39 -1.59 1.01 0.46 -0.39 120.40 123.05 1xpw s VAL 63 Ca 0.13 -2.24 -0.14 0.00 0.00 0.00 0.00 61.98 59.73 1xpw s VAL 63 Cb -0.11 -3.82 0.01 0.00 0.00 0.00 0.00 36.38 32.46 1xpw s VAL 63 CO 0.02 -0.85 0.27 -0.63 0.00 0.00 0.00 175.10 173.90 1xpw s ILE 64 N 0.74 5.14 -0.30 2.22 -1.09 0.36 -1.34 121.20 126.94 1xpw s ILE 64 Ca 0.11 -0.60 0.01 0.00 -2.23 0.00 0.00 60.65 57.94 1xpw s ILE 64 Cb -0.21 -3.82 0.06 0.00 -1.58 0.00 0.00 42.46 36.92 1xpw s ILE 64 CO -0.03 -0.23 -0.02 -1.10 -1.23 0.00 0.00 174.94 172.32 1xpw s GLN 65 N 1.67 2.20 0.19 2.79 -0.21 -0.09 -0.71 119.66 125.50 1xpw s GLN 65 Ca 0.05 -1.42 -0.09 0.00 0.02 0.00 0.00 55.36 53.92 1xpw s GLN 65 Cb -0.19 -3.10 -0.01 0.00 1.00 0.00 0.00 33.01 30.72 1xpw s GLN 65 CO 0.09 -0.67 0.32 -1.12 -2.12 0.00 0.00 175.29 171.79 1xpw s SER 66 N 1.19 0.01 0.00 5.90 0.01 -1.26 -0.99 113.70 118.56 1xpw s SER 66 Ca -0.04 -0.96 0.05 0.00 1.31 0.00 0.00 55.95 56.32 1xpw s SER 66 Cb -0.20 0.47 -0.03 0.00 0.21 0.00 0.00 66.02 66.47 1xpw s SER 66 CO -0.04 -0.96 -0.16 -0.31 0.41 0.00 0.00 173.24 172.19 1xpw s TYR 67 N -4.01 2.64 0.00 2.43 2.02 0.59 -4.74 117.35 116.28 1xpw s TYR 67 Ca 0.22 -0.20 0.00 0.00 -0.37 0.00 0.00 57.07 56.71 1xpw s TYR 67 Cb 0.03 -1.54 0.00 0.00 -0.40 0.00 0.00 41.96 40.05 1xpw s TYR 67 CO 0.04 0.23 0.00 1.19 -1.57 0.00 0.00 175.55 175.44 1xpw n PHE 68 N 1.85 0.00 -2.71 2.71 3.72 -1.26 -3.33 117.46 118.43 1xpw n PHE 68 Ca -0.16 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.81 1xpw n PHE 68 Cb 0.52 -0.76 -0.03 0.00 -0.94 0.00 0.00 39.48 38.27 1xpw n PHE 68 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1xpw s VAL 69 N -2.32 4.80 0.00 -4.37 1.01 -1.26 -0.60 120.40 117.67 1xpw s VAL 69 Ca 0.00 2.01 0.00 0.00 0.00 0.00 0.00 61.98 63.99 1xpw s VAL 69 Cb 0.00 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 32.08 1xpw s VAL 69 CO 0.00 0.03 0.00 1.67 0.00 0.00 0.00 175.10 176.80 1xpw n GLN 70 N 4.87 0.00 -2.76 2.72 7.27 -1.07 -4.19 117.38 124.22 1xpw n GLN 70 Ca 0.08 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.73 1xpw n GLN 70 Cb 0.49 -0.07 -0.04 0.00 2.41 0.00 0.00 30.24 33.04 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 -0.31 4.16 -0.32 1.69 2.01 -0.12 -1.94 115.64 120.81 1xpw s THR 71 Ca 0.00 0.02 -0.04 0.00 0.31 0.00 0.00 61.69 61.99 1xpw s THR 71 Cb 0.00 -4.72 0.04 0.00 0.01 0.00 0.00 72.50 67.83 1xpw s THR 71 CO 0.00 -1.50 0.05 -0.22 -0.69 0.00 0.00 174.62 172.26 1xpw s LEU 72 N 4.54 4.07 -0.44 4.42 2.96 0.31 -1.84 118.68 132.69 1xpw s LEU 72 Ca 0.28 -1.20 -0.17 0.00 -0.22 0.00 0.00 54.13 52.82 1xpw s LEU 72 Cb -0.13 -1.78 0.04 0.00 0.50 0.00 0.00 46.19 44.81 1xpw s LEU 72 CO 0.14 -0.29 0.44 -0.75 -1.32 0.00 0.00 176.35 174.58 1xpw s LYS 73 N 1.32 3.06 -0.49 1.98 2.20 0.42 -1.45 119.74 126.78 1xpw s LYS 73 Ca -0.04 -0.92 -0.20 0.00 -0.36 0.00 0.00 55.97 54.45 1xpw s LYS 73 Cb -0.20 -4.02 0.05 0.00 -1.51 0.00 0.00 37.83 32.15 1xpw s LYS 73 CO 0.01 -0.93 0.65 0.42 -0.36 0.00 0.00 175.35 175.13 1xpw s ILE 74 N 2.07 4.83 -0.09 5.43 1.01 0.56 -0.38 121.20 134.62 1xpw s ILE 74 Ca 0.10 -0.28 -0.13 0.00 0.00 0.00 0.00 60.65 60.35 1xpw s ILE 74 Cb -0.19 -4.29 -0.05 0.00 0.01 0.00 0.00 42.46 37.95 1xpw s ILE 74 CO 0.12 -0.77 0.30 -0.70 0.00 0.00 0.00 174.94 173.89 1xpw s GLU 75 N 2.77 3.96 -0.10 2.79 2.12 0.21 -2.44 118.70 128.01 1xpw s GLU 75 Ca 0.18 0.17 0.00 0.00 0.36 0.00 0.00 54.97 55.68 1xpw s GLU 75 Cb -0.17 -3.30 -0.03 0.00 0.26 0.00 0.00 34.13 30.89 1xpw s GLU 75 CO 0.14 0.51 -0.09 0.21 -0.54 0.00 0.00 175.26 175.50 1xpw s LYS 76 N -0.39 3.04 -0.04 4.30 2.20 0.50 -0.41 119.74 128.94 1xpw s LYS 76 Ca 0.19 -0.59 0.00 0.00 -0.36 0.00 0.00 55.97 55.21 1xpw s LYS 76 Cb -0.14 -2.63 0.03 0.00 -1.51 0.00 0.00 37.83 33.57 1xpw s LYS 76 CO 0.07 0.47 -0.00 -1.12 -0.36 0.00 0.00 175.35 174.41 1xpw s SER 77 N -0.30 0.76 -0.13 1.43 0.01 0.45 -1.05 113.70 114.87 1xpw s SER 77 Ca 0.04 -0.05 0.15 0.00 1.31 0.00 0.00 55.95 57.40 1xpw s SER 77 Cb -0.13 -0.30 0.53 0.00 0.21 0.00 0.00 66.02 66.33 1xpw s SER 77 CO 0.02 -0.12 1.44 0.41 0.41 0.00 0.00 173.24 175.41 1xpw n THR 78 N 4.35 1.91 -2.69 1.44 -1.04 -1.26 -0.14 114.28 116.86 1xpw n THR 78 Ca -0.22 -1.50 -0.29 0.00 -2.04 0.00 0.00 64.05 60.01 1xpw n THR 78 Cb 0.50 0.01 -0.02 0.00 -1.82 0.00 0.00 70.33 69.01 1xpw n THR 78 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1xpw s SER 79 N -1.42 6.40 0.00 8.00 0.15 -1.26 -4.68 113.70 120.88 1xpw s SER 79 Ca 0.40 1.08 0.25 0.00 0.70 0.00 0.00 55.95 58.37 1xpw s SER 79 Cb 0.29 -2.31 1.30 0.00 -1.71 0.00 0.00 66.02 63.59 1xpw s SER 79 CO 0.14 -0.51 1.82 0.29 1.20 0.00 0.00 173.24 176.18 1xpw n LYS 80 N -1.79 0.46 -4.36 5.44 5.02 -1.26 -4.64 118.16 117.03 1xpw n LYS 80 Ca 0.02 0.04 -0.27 0.00 -2.02 0.00 0.00 58.31 56.09 1xpw n LYS 80 Cb 0.54 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.95 1xpw n LYS 80 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1xpw s GLU 81 N -2.42 1.77 0.00 1.97 2.02 -1.26 -5.02 118.70 115.76 1xpw s GLU 81 Ca 0.27 -1.42 -0.01 0.00 0.02 0.00 0.00 54.97 53.83 1xpw s GLU 81 Cb 0.17 -1.99 -0.06 0.00 0.10 0.00 0.00 34.13 32.35 1xpw s GLU 81 CO 0.35 0.41 1.92 -0.35 0.02 0.00 0.00 175.26 177.61 1xpw n PRO 82 N 0.12 0.98 -4.43 0.39 -0.04 -1.26 -4.82 135.00 125.95 1xpw n PRO 82 Ca -0.11 -0.23 -0.21 0.00 -0.04 0.00 0.00 63.50 62.91 1xpw n PRO 82 Cb 0.56 -1.35 -0.11 0.00 -0.04 0.00 0.00 33.50 32.56 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 0.80 1.11 -0.04 0.52 -7.23 -1.26 -5.03 120.40 109.27 1xpw s VAL 83 Ca 0.15 -2.01 -0.03 0.00 -1.81 0.00 0.00 61.98 58.28 1xpw s VAL 83 Cb 0.07 -2.74 0.01 0.00 0.56 0.00 0.00 36.38 34.29 1xpw s VAL 83 CO 0.00 -0.03 0.07 -0.67 -0.31 0.00 0.00 175.10 174.16 1xpw n ASP 84 N -0.64 -5.83 -4.30 4.85 2.03 -1.26 -4.67 116.55 106.73 1xpw n ASP 84 Ca -0.02 1.43 -0.33 0.00 0.52 0.00 0.00 54.79 56.39 1xpw n ASP 84 Cb 0.66 -4.56 -0.15 0.00 -0.72 0.00 0.00 41.12 36.36 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 -0.52 2.77 -0.08 -0.67 0.08 -1.26 -4.48 117.98 113.83 1xpw s PHE 85 Ca -0.08 -0.90 0.02 0.00 0.12 0.00 0.00 56.93 56.09 1xpw s PHE 85 Cb 0.01 -1.86 0.01 0.00 -0.57 0.00 0.00 43.02 40.61 1xpw s PHE 85 CO 0.22 -0.38 -0.13 -2.00 -0.10 0.00 0.00 175.22 172.83 1xpw s GLU 86 N 0.62 1.86 -0.37 0.44 -6.30 -0.21 -4.97 118.70 109.78 1xpw s GLU 86 Ca -0.08 -0.46 -0.29 0.00 -2.50 0.00 0.00 54.97 51.65 1xpw s GLU 86 Cb -0.16 -1.55 -0.00 0.00 0.00 0.00 0.00 34.13 32.42 1xpw s GLU 86 CO 0.03 0.00 1.61 -1.14 0.02 0.00 0.00 175.26 175.78 1xpw s GLN 87 N 0.76 3.46 -0.03 4.30 0.74 -1.26 -0.37 119.66 127.26 1xpw s GLN 87 Ca -0.12 1.20 -0.01 0.00 0.05 0.00 0.00 55.36 56.48 1xpw s GLN 87 Cb -0.16 -4.11 -0.00 0.00 1.10 0.00 0.00 33.01 29.84 1xpw s GLN 87 CO 0.03 -1.70 -0.02 2.35 -0.55 0.00 0.00 175.29 175.39 1xpw h TRP 88 N 11.78 0.00 -3.96 1.67 7.01 -1.82 -3.47 115.95 127.17 1xpw h TRP 88 Ca -0.31 0.00 -0.34 0.00 2.11 0.00 0.00 58.89 60.36 1xpw h TRP 88 Cb 1.14 0.00 -0.26 0.00 -2.10 0.00 0.00 29.16 27.94 1xpw h TRP 88 CO 0.96 0.00 -0.76 0.42 -2.79 0.00 0.00 178.44 176.27 1xpw s ILE 89 N -1.25 0.57 -0.11 2.65 1.01 -1.06 -5.05 121.20 117.97 1xpw s ILE 89 Ca -0.02 -0.55 -0.03 0.00 0.00 0.00 0.00 60.65 60.05 1xpw s ILE 89 Cb 0.00 -0.53 0.04 0.00 0.01 0.00 0.00 42.46 41.99 1xpw s ILE 89 CO 0.03 -0.00 0.06 -0.70 0.00 0.00 0.00 174.94 174.33 1xpw s GLU 90 N -0.61 0.12 0.29 2.79 2.12 -1.26 -0.33 118.70 121.82 1xpw s GLU 90 Ca -0.01 0.10 0.11 0.00 0.36 0.00 0.00 54.97 55.53 1xpw s GLU 90 Cb -0.05 -1.22 -0.05 0.00 0.26 0.00 0.00 34.13 33.07 1xpw s GLU 90 CO 0.00 -0.49 -0.16 0.15 -0.54 0.00 0.00 175.26 174.22 1xpw s LYS 91 N 2.11 1.69 -0.03 4.30 1.02 -0.53 -4.98 119.74 123.33 1xpw s LYS 91 Ca 0.03 -1.81 0.02 0.00 0.02 0.00 0.00 55.97 54.23 1xpw s LYS 91 Cb -0.14 -1.69 0.01 0.00 -0.52 0.00 0.00 37.83 35.49 1xpw s LYS 91 CO -0.06 0.26 -0.07 0.16 -0.92 0.00 0.00 175.35 174.71 1xpw s ASP 92 N -3.52 1.10 0.35 2.83 1.47 -1.23 -0.53 116.67 117.14 1xpw s ASP 92 Ca 0.30 -0.17 0.07 0.00 1.18 0.00 0.00 52.55 53.93 1xpw s ASP 92 Cb -0.02 -0.39 -0.01 0.00 -0.34 0.00 0.00 42.92 42.16 1xpw s ASP 92 CO 0.15 0.02 0.46 -0.76 0.68 0.00 0.00 175.17 175.72 1xpw s LEU 93 N 0.45 3.87 0.16 2.11 1.02 -0.82 -4.98 118.68 120.49 1xpw s LEU 93 Ca -0.07 -0.27 0.06 0.00 0.02 0.00 0.00 54.13 53.87 1xpw s LEU 93 Cb -0.11 -2.66 -0.04 0.00 0.02 0.00 0.00 46.19 43.41 1xpw s LEU 93 CO 0.01 -0.48 0.03 -0.69 0.02 0.00 0.00 176.35 175.24 1xpw s VAL 94 N -2.22 3.93 -0.15 -1.59 1.01 -1.26 -4.72 120.40 115.39 1xpw s VAL 94 Ca 0.46 -1.29 -0.30 0.00 0.00 0.00 0.00 61.98 60.85 1xpw s VAL 94 Cb -0.09 -2.97 -0.08 0.00 0.00 0.00 0.00 36.38 33.25 1xpw s VAL 94 CO 0.31 -0.08 2.11 1.57 0.00 0.00 0.00 175.10 179.01 1xpw n HIS 95 N -0.07 2.11 -3.89 5.22 -0.00 -1.26 -4.96 115.22 112.37 1xpw n HIS 95 Ca -0.10 -0.13 -0.28 0.00 0.46 0.00 0.00 57.72 57.67 1xpw n HIS 95 Cb 0.55 -2.72 -0.16 0.00 -0.12 0.00 0.00 29.99 27.53 1xpw n HIS 95 CO 0.00 0.00 0.00 0.95 0.46 0.00 0.00 176.34 177.75 1xpw s THR 96 N 6.67 1.11 -0.36 3.57 -4.23 -1.26 -5.12 115.64 116.02 1xpw s THR 96 Ca 0.98 -0.67 -0.13 0.00 -1.18 0.00 0.00 61.69 60.69 1xpw s THR 96 Cb -0.47 -1.31 -0.00 0.00 1.34 0.00 0.00 72.50 72.06 1xpw s THR 96 CO 0.41 0.09 0.24 -0.70 -0.54 0.00 0.00 174.62 174.13 1xpw s GLU 97 N 1.63 3.27 0.00 3.99 2.12 -1.26 -4.20 118.70 124.25 1xpw s GLU 97 Ca 0.00 -0.80 0.00 0.00 0.36 0.00 0.00 54.97 54.53 1xpw s GLU 97 Cb -0.16 -3.82 0.00 0.00 0.26 0.00 0.00 34.13 30.42 1xpw s GLU 97 CO -0.08 -0.55 0.00 0.41 -0.54 0.00 0.00 175.26 174.51 1xpw n GLY 98 N 5.10 2.99 3.53 -1.50 0.00 -1.26 -4.98 105.19 109.08 1xpw n GLY 98 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.34 3.42 -0.62 1.61 -0.21 -1.26 -5.00 119.66 117.26 1xpw s GLN 99 Ca 0.00 -0.27 -0.27 0.00 0.02 0.00 0.00 55.36 54.84 1xpw s GLN 99 Cb 0.00 -3.89 0.00 0.00 1.00 0.00 0.00 33.01 30.12 1xpw s GLN 99 CO 0.00 -0.86 1.57 -0.51 -2.12 0.00 0.00 175.29 173.37 1xpw s LEU 100 N 2.64 3.29 -0.96 2.90 1.43 -1.26 -4.82 118.68 121.90 1xpw s LEU 100 Ca 0.21 0.14 -0.19 0.00 -1.03 0.00 0.00 54.13 53.26 1xpw s LEU 100 Cb -0.15 -2.73 0.12 0.00 0.03 0.00 0.00 46.19 43.47 1xpw s LEU 100 CO 0.16 -2.01 1.18 -1.10 0.23 0.00 0.00 176.35 174.82 1xpw s GLN 101 N 6.18 3.63 -0.36 1.70 -0.21 -1.26 -4.98 119.66 124.36 1xpw s GLN 101 Ca 0.54 -1.73 -0.28 0.00 0.02 0.00 0.00 55.36 53.91 1xpw s GLN 101 Cb -0.11 -4.98 -0.02 0.00 1.00 0.00 0.00 33.01 28.90 1xpw s GLN 101 CO 0.21 -1.83 1.78 -0.80 -2.12 0.00 0.00 175.29 172.53 1xpw s ASN 102 N 3.75 5.87 -0.54 5.90 -0.87 -1.26 -4.73 114.94 123.06 1xpw s ASN 102 Ca 0.35 1.20 -0.21 0.00 -1.57 0.00 0.00 52.86 52.64 1xpw s ASN 102 Cb -0.04 -2.53 0.06 0.00 -0.02 0.00 0.00 41.25 38.72 1xpw s ASN 102 CO -0.09 -1.74 0.74 -0.70 -2.57 0.00 0.00 177.10 172.74 1xpw s GLU 103 N 5.72 3.16 -0.59 -0.60 2.56 0.11 -4.90 118.70 124.16 1xpw s GLU 103 Ca 0.78 -0.81 -0.22 0.00 0.00 0.00 0.00 54.97 54.73 1xpw s GLU 103 Cb -0.21 -4.13 0.07 0.00 2.00 0.00 0.00 34.13 31.86 1xpw s GLU 103 CO 0.33 -1.39 0.84 -1.83 -0.56 0.00 0.00 175.26 172.65 1xpw s GLU 104 N 3.08 3.15 -0.78 4.30 -1.05 -1.25 -0.48 118.70 125.67 1xpw s GLU 104 Ca 0.19 -0.79 -0.26 0.00 -0.15 0.00 0.00 54.97 53.95 1xpw s GLU 104 Cb -0.18 -4.17 0.03 0.00 -0.44 0.00 0.00 34.13 29.37 1xpw s GLU 104 CO 0.13 -1.57 1.32 0.42 0.95 0.00 0.00 175.26 176.51 1xpw s ILE 105 N 3.51 3.74 -0.95 1.83 -1.09 0.48 -4.85 121.20 123.87 1xpw s ILE 105 Ca 0.21 0.22 -0.24 0.00 -2.23 0.00 0.00 60.65 58.61 1xpw s ILE 105 Cb -0.18 -4.91 0.00 0.00 -1.58 0.00 0.00 42.46 35.79 1xpw s ILE 105 CO 0.12 -1.85 1.68 0.68 -1.23 0.00 0.00 174.94 174.35 1xpw s VAL 106 N 5.72 3.68 -0.18 2.92 -7.23 -1.26 -0.57 120.40 123.48 1xpw s VAL 106 Ca 0.38 -0.52 -0.04 0.00 -1.81 0.00 0.00 61.98 59.98 1xpw s VAL 106 Cb -0.07 -4.54 0.09 0.00 0.56 0.00 0.00 36.38 32.42 1xpw s VAL 106 CO 0.11 -1.46 0.30 0.00 -0.31 0.00 0.00 175.10 173.75 1xpw s ALA 107 N 7.44 -0.69 -0.37 1.32 0.00 -0.98 -4.98 121.76 123.50 1xpw s ALA 107 Ca 0.57 0.86 -0.11 0.00 0.00 0.00 0.00 51.96 53.27 1xpw s ALA 107 Cb -0.04 -1.27 0.02 0.00 0.00 0.00 0.00 23.12 21.83 1xpw s ALA 107 CO -0.04 -0.92 0.21 -3.38 0.00 0.00 0.00 175.76 171.63 1xpw s HIS 108 N 2.45 3.23 0.25 0.00 -3.43 -1.24 -3.36 115.29 113.19 1xpw s HIS 108 Ca 0.05 -0.83 -0.19 0.00 -0.80 0.00 0.00 55.06 53.29 1xpw s HIS 108 Cb -0.14 -2.45 0.02 0.00 -1.43 0.00 0.00 32.58 28.58 1xpw s HIS 108 CO -0.11 -0.60 0.62 0.20 -2.00 0.00 0.00 174.74 172.84 1xpw s GLY 109 N 1.59 0.03 -0.14 -1.38 0.00 -0.36 -4.97 107.32 102.07 1xpw s GLY 109 Ca 0.03 -0.38 -0.03 0.00 0.00 0.00 0.00 44.72 44.34 1xpw s GLY 109 CO 0.07 -0.23 -0.03 -0.56 0.00 0.00 0.00 173.10 172.35 1xpw s SER 110 N -2.92 4.85 0.04 1.64 0.01 -1.26 -1.02 113.70 115.03 1xpw s SER 110 Ca 0.13 -0.09 -0.24 0.00 1.31 0.00 0.00 55.95 57.06 1xpw s SER 110 Cb -0.04 -1.71 0.06 0.00 0.21 0.00 0.00 66.02 64.54 1xpw s SER 110 CO 0.04 0.20 0.55 0.00 0.41 0.00 0.00 173.24 174.45 1xpw s ALA 111 N 0.15 -1.42 -0.05 1.44 0.00 -1.26 -4.75 121.76 115.87 1xpw s ALA 111 Ca -0.01 0.71 0.02 0.00 0.00 0.00 0.00 51.96 52.68 1xpw s ALA 111 Cb -0.14 0.35 -0.05 0.00 0.00 0.00 0.00 23.12 23.28 1xpw s ALA 111 CO 0.03 -0.50 -0.02 0.25 0.00 0.00 0.00 175.76 175.52 1xpw n THR 112 N 0.46 0.33 -5.06 0.00 -2.24 -0.28 -4.29 114.28 103.20 1xpw n THR 112 Ca -0.18 -0.17 -0.30 0.00 -2.27 0.00 0.00 64.05 61.13 1xpw n THR 112 Cb 0.60 -0.79 -0.17 0.00 -2.10 0.00 0.00 70.33 67.87 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 -2.12 2.24 -0.09 4.78 1.51 0.81 -0.61 117.35 123.86 1xpw s TYR 113 Ca -0.05 -0.84 0.02 0.00 -1.01 0.00 0.00 57.07 55.18 1xpw s TYR 113 Cb 0.02 -1.51 0.02 0.00 -0.11 0.00 0.00 41.96 40.37 1xpw s TYR 113 CO 0.17 -0.34 -0.13 -0.51 -1.11 0.00 0.00 175.55 173.63 1xpw s LEU 114 N 0.30 1.59 -0.36 -1.29 1.43 -0.83 -0.42 118.68 119.11 1xpw s LEU 114 Ca -0.14 -0.35 -0.09 0.00 -1.03 0.00 0.00 54.13 52.51 1xpw s LEU 114 Cb -0.16 -0.94 0.03 0.00 0.03 0.00 0.00 46.19 45.15 1xpw s LEU 114 CO 0.07 -0.00 0.16 -0.60 0.23 0.00 0.00 176.35 176.21 1xpw s ARG 115 N 0.99 2.80 -0.46 1.70 3.52 0.45 -0.39 118.95 127.56 1xpw s ARG 115 Ca -0.08 -1.08 -0.25 0.00 -0.13 0.00 0.00 55.73 54.19 1xpw s ARG 115 Cb -0.15 -3.62 0.03 0.00 -1.56 0.00 0.00 34.95 29.65 1xpw s ARG 115 CO -0.01 -0.66 0.93 -0.06 -0.81 0.00 0.00 175.30 174.69 1xpw s PHE 116 N 1.50 2.92 -0.45 5.12 0.08 0.20 -0.62 117.98 126.73 1xpw s PHE 116 Ca 0.01 0.38 -0.10 0.00 0.12 0.00 0.00 56.93 57.34 1xpw s PHE 116 Cb -0.19 -3.98 0.10 0.00 -0.57 0.00 0.00 43.02 38.38 1xpw s PHE 116 CO 0.05 -1.11 0.32 0.42 -0.10 0.00 0.00 175.22 174.80 1xpw s ILE 117 N 3.76 4.33 -0.66 0.64 1.01 0.49 -2.37 121.20 128.40 1xpw s ILE 117 Ca 0.37 -1.56 -0.22 0.00 0.00 0.00 0.00 60.65 59.24 1xpw s ILE 117 Cb -0.10 -3.74 0.08 0.00 0.01 0.00 0.00 42.46 38.70 1xpw s ILE 117 CO 0.26 -0.65 0.95 -0.63 0.00 0.00 0.00 174.94 174.87 1xpw s ILE 118 N 1.42 4.38 -0.11 2.92 1.01 -0.45 -0.44 121.20 129.93 1xpw s ILE 118 Ca 0.04 -0.47 -0.22 0.00 0.00 0.00 0.00 60.65 60.00 1xpw s ILE 118 Cb -0.25 -4.67 -0.27 0.00 0.01 0.00 0.00 42.46 37.28 1xpw s ILE 118 CO 0.01 -1.43 0.67 0.58 0.00 0.00 0.00 174.94 174.77 1xpw h VAL 119 N 5.97 1.38 -3.34 2.92 2.07 -1.63 -2.43 116.25 121.19 1xpw h VAL 119 Ca -0.27 -2.39 -0.55 0.00 0.82 0.00 0.00 66.70 64.30 1xpw h VAL 119 Cb 1.07 2.98 -0.34 0.00 -1.52 0.00 0.00 31.29 33.48 1xpw h VAL 119 CO 1.17 0.62 -0.82 -0.44 0.02 0.00 0.00 177.57 178.12 1xpw s SER 120 N -6.75 2.13 0.22 0.57 0.01 -1.24 -4.61 113.70 104.03 1xpw s SER 120 Ca -0.19 -0.36 0.09 0.00 1.31 0.00 0.00 55.95 56.79 1xpw s SER 120 Cb 0.01 -0.95 -0.05 0.00 0.21 0.00 0.00 66.02 65.24 1xpw s SER 120 CO 0.74 0.02 -0.16 0.00 0.41 0.00 0.00 173.24 174.25 1xpw s ALA 121 N 0.87 2.14 0.30 1.44 0.00 -1.26 -0.95 121.76 124.30 1xpw s ALA 121 Ca -0.10 -1.69 0.10 0.00 0.00 0.00 0.00 51.96 50.27 1xpw s ALA 121 Cb -0.15 -0.12 0.44 0.00 0.00 0.00 0.00 23.12 23.29 1xpw s ALA 121 CO 0.01 0.11 1.67 0.74 0.00 0.00 0.00 175.76 178.29 1xpw h PHE 122 N 2.53 0.04 -4.29 0.00 0.04 -1.20 -3.46 116.94 110.61 1xpw h PHE 122 Ca -0.39 -0.01 -0.15 0.00 2.80 0.00 0.00 57.97 60.22 1xpw h PHE 122 Cb 1.23 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 39.34 1xpw h PHE 122 CO 0.73 0.57 -0.10 -3.47 -0.60 0.00 0.00 178.31 175.44 1xpw n ASP 123 N -3.90 2.14 -0.49 2.17 -0.08 -1.26 -5.04 116.55 110.09 1xpw n ASP 123 Ca -0.01 -1.51 0.10 0.00 -1.51 0.00 0.00 54.79 51.86 1xpw n ASP 123 Cb 0.55 0.06 -0.00 0.00 2.34 0.00 0.00 41.12 44.08 1xpw n ASP 123 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 1xpw n HIS 124 N -0.41 0.00 -4.27 -0.67 8.25 -1.26 -4.85 115.22 112.01 1xpw n HIS 124 Ca -0.04 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.11 1xpw n HIS 124 Cb 0.15 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.10 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 -2.34 2.34 -0.12 4.41 0.08 -1.26 -3.68 117.98 117.41 1xpw s PHE 125 Ca 0.18 -1.26 -0.05 0.00 0.12 0.00 0.00 56.93 55.92 1xpw s PHE 125 Cb 0.17 -1.66 -0.04 0.00 -0.57 0.00 0.00 43.02 40.92 1xpw s PHE 125 CO 0.53 -0.64 0.07 0.00 -0.10 0.00 0.00 175.22 175.07 1xpw s ALA 126 N 1.19 3.53 -0.21 5.36 0.00 -1.26 -4.86 121.76 125.52 1xpw s ALA 126 Ca -0.00 -0.73 -0.00 0.00 0.00 0.00 0.00 51.96 51.22 1xpw s ALA 126 Cb -0.14 -1.75 0.05 0.00 0.00 0.00 0.00 23.12 21.28 1xpw s ALA 126 CO -0.07 0.51 -0.04 -1.12 0.00 0.00 0.00 175.76 175.04 1xpw s SER 127 N -0.68 3.38 -0.43 0.00 0.01 -1.21 -1.02 113.70 113.76 1xpw s SER 127 Ca 0.12 -0.96 -0.19 0.00 1.31 0.00 0.00 55.95 56.24 1xpw s SER 127 Cb -0.12 -1.02 0.02 0.00 0.21 0.00 0.00 66.02 65.12 1xpw s SER 127 CO 0.02 -0.23 0.52 0.54 0.41 0.00 0.00 173.24 174.51 1xpw s VAL 128 N 1.53 4.98 -0.05 3.43 0.11 -1.13 -0.30 120.40 128.97 1xpw s VAL 128 Ca -0.03 -0.18 -0.21 0.00 -2.93 0.00 0.00 61.98 58.63 1xpw s VAL 128 Cb -0.17 -4.11 -0.16 0.00 -1.53 0.00 0.00 36.38 30.41 1xpw s VAL 128 CO -0.07 -0.50 0.87 -0.74 -3.33 0.00 0.00 175.10 171.33 1xpw h HIS 129 N 8.79 -0.19 -1.70 1.54 2.76 -1.39 -3.34 115.15 121.63 1xpw h HIS 129 Ca -0.26 -0.00 0.09 0.00 -2.20 0.00 0.00 60.37 57.99 1xpw h HIS 129 Cb 1.10 0.06 -0.23 0.00 1.55 0.00 0.00 27.41 29.90 1xpw h HIS 129 CO 0.66 0.26 0.12 -1.54 -1.30 0.00 0.00 177.93 176.14 1xpw s SER 130 N -5.50 -0.81 -0.17 3.26 1.04 -0.70 -4.49 113.70 106.33 1xpw s SER 130 Ca -0.13 1.21 0.01 0.00 0.48 0.00 0.00 55.95 57.52 1xpw s SER 130 Cb 0.00 1.60 0.03 0.00 0.10 0.00 0.00 66.02 67.75 1xpw s SER 130 CO 0.48 -0.18 -0.14 0.68 0.98 0.00 0.00 173.24 175.06 1xpw s VAL 131 N 1.99 1.72 0.06 5.02 -7.23 -1.26 -0.91 120.40 119.78 1xpw s VAL 131 Ca -0.08 -0.83 0.09 0.00 -1.81 0.00 0.00 61.98 59.35 1xpw s VAL 131 Cb -0.06 -1.65 -0.03 0.00 0.56 0.00 0.00 36.38 35.20 1xpw s VAL 131 CO -0.18 0.38 -0.25 -0.44 -0.31 0.00 0.00 175.10 174.31 1xpw s SER 132 N 1.41 2.99 -0.22 4.85 0.01 -0.45 -4.70 113.70 117.59 1xpw s SER 132 Ca 0.03 -0.59 -0.05 0.00 1.31 0.00 0.00 55.95 56.65 1xpw s SER 132 Cb -0.14 -0.26 -0.01 0.00 0.21 0.00 0.00 66.02 65.82 1xpw s SER 132 CO -0.10 0.22 -0.02 0.00 0.41 0.00 0.00 173.24 173.75 1xpw s ALA 133 N -0.84 2.89 0.03 1.44 0.00 -1.26 -0.40 121.76 123.61 1xpw s ALA 133 Ca 0.11 -1.15 -0.10 0.00 0.00 0.00 0.00 51.96 50.81 1xpw s ALA 133 Cb -0.10 -1.78 -0.05 0.00 0.00 0.00 0.00 23.12 21.19 1xpw s ALA 133 CO 0.02 -0.43 0.35 -1.21 0.00 0.00 0.00 175.76 174.50 1xpw s GLU 134 N 1.48 3.74 0.00 0.00 2.02 0.49 -0.89 118.70 125.54 1xpw s GLU 134 Ca 0.06 0.16 0.00 0.00 0.02 0.00 0.00 54.97 55.21 1xpw s GLU 134 Cb -0.14 -3.09 0.00 0.00 0.10 0.00 0.00 34.13 31.00 1xpw s GLU 134 CO -0.02 0.63 0.00 0.41 0.02 0.00 0.00 175.26 176.31 1xpw n GLY 135 N 1.28 0.24 3.20 -1.39 0.00 -0.50 -0.59 105.19 107.43 1xpw n GLY 135 Ca -0.11 -1.36 -0.09 0.00 0.00 0.00 0.00 46.02 44.46 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 -3.55 0.12 -0.35 2.61 -4.23 -0.96 -3.15 115.64 106.12 1xpw s THR 136 Ca 0.00 -1.63 -0.22 0.00 -1.18 0.00 0.00 61.69 58.66 1xpw s THR 136 Cb 0.00 -1.80 0.00 0.00 1.34 0.00 0.00 72.50 72.05 1xpw s THR 136 CO 0.00 -0.53 0.70 -0.69 -0.54 0.00 0.00 174.62 173.56 1xpw s VAL 137 N -3.98 4.83 0.13 2.29 1.01 -1.26 -0.65 120.40 122.77 1xpw s VAL 137 Ca 0.16 0.74 -0.16 0.00 0.00 0.00 0.00 61.98 62.72 1xpw s VAL 137 Cb 0.06 -4.12 -0.01 0.00 0.00 0.00 0.00 36.38 32.31 1xpw s VAL 137 CO -0.03 -0.34 1.66 0.58 0.00 0.00 0.00 175.10 176.97 1xpw h VAL 138 N 5.69 1.21 -1.66 2.92 2.07 -1.00 -3.45 116.25 122.03 1xpw h VAL 138 Ca -0.26 -0.68 0.09 0.00 0.82 0.00 0.00 66.70 66.67 1xpw h VAL 138 Cb 1.10 0.89 -0.23 0.00 -1.52 0.00 0.00 31.29 31.53 1xpw h VAL 138 CO 0.86 0.24 0.15 -0.94 0.02 0.00 0.00 177.57 177.91 1xpw s SER 139 N -5.92 -0.77 0.26 0.57 1.04 -0.67 -5.05 113.70 103.16 1xpw s SER 139 Ca -0.13 1.16 -0.30 0.00 0.48 0.00 0.00 55.95 57.16 1xpw s SER 139 Cb 0.10 1.54 -0.09 0.00 0.10 0.00 0.00 66.02 67.67 1xpw s SER 139 CO 0.76 -0.17 1.02 0.20 0.98 0.00 0.00 173.24 176.03 1xpw s ASN 140 N 1.91 7.43 -0.30 7.02 0.01 -1.26 -1.57 114.94 128.18 1xpw s ASN 140 Ca -0.08 2.12 -0.28 0.00 -0.71 0.00 0.00 52.86 53.91 1xpw s ASN 140 Cb -0.06 -2.62 -0.04 0.00 0.41 0.00 0.00 41.25 38.94 1xpw s ASN 140 CO -0.18 -0.01 2.06 -0.76 -1.51 0.00 0.00 177.10 176.71 1xpw s LEU 141 N -1.36 3.45 -0.46 0.60 1.02 -1.26 -4.87 118.68 115.80 1xpw s LEU 141 Ca 0.43 1.54 0.08 0.00 0.02 0.00 0.00 54.13 56.20 1xpw s LEU 141 Cb -0.29 -3.39 0.26 0.00 0.02 0.00 0.00 46.19 42.80 1xpw s LEU 141 CO 0.37 -1.96 0.62 -1.54 0.02 0.00 0.00 176.35 173.85 1xpw n SER 142 N 11.58 1.41 0.00 2.29 3.41 -1.26 -5.14 113.62 125.91 1xpw n SER 142 Ca 0.27 -2.97 0.00 0.00 -0.26 0.00 0.00 58.87 55.91 1xpw n SER 142 Cb 0.47 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 1xpw n SER 142 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68