#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 0.00 -3.07 0.03 1.85 -1.26 -4.89 116.66 109.31 1xpw n ARG 2 Ca 0.00 -0.22 -0.19 0.00 -1.00 0.00 0.00 57.85 56.44 1xpw n ARG 2 Cb 0.00 0.17 -0.03 0.00 -1.05 0.00 0.00 32.46 31.55 1xpw n ARG 2 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 1xpw n LYS 3 N 0.00 0.75 -3.97 2.89 2.85 -1.14 -2.56 118.16 116.99 1xpw n LYS 3 Ca -0.06 -2.85 -0.36 0.00 -1.05 0.00 0.00 58.31 53.99 1xpw n LYS 3 Cb 0.39 -1.30 -0.08 0.00 -0.65 0.00 0.00 35.03 33.39 1xpw n LYS 3 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 177.40 175.85 1xpw s ILE 4 N -0.79 5.13 -0.72 0.58 2.07 -1.13 -4.78 121.20 121.56 1xpw s ILE 4 Ca 0.34 0.08 -0.26 0.00 -1.41 0.00 0.00 60.65 59.40 1xpw s ILE 4 Cb 0.20 -3.26 -0.03 0.00 0.13 0.00 0.00 42.46 39.51 1xpw s ILE 4 CO -0.14 0.56 1.86 -1.81 -1.91 0.00 0.00 174.94 173.49 1xpw s ASP 5 N -0.50 5.29 0.00 4.50 1.11 -1.26 -3.28 116.67 122.53 1xpw s ASP 5 Ca 0.11 -0.07 0.28 0.00 0.18 0.00 0.00 52.55 53.05 1xpw s ASP 5 Cb -0.12 -2.54 1.08 0.00 1.07 0.00 0.00 42.92 42.41 1xpw s ASP 5 CO 0.02 -2.46 1.80 0.18 1.18 0.00 0.00 175.17 175.89 1xpw n LEU 6 N 12.94 0.27 -0.39 1.23 4.77 0.18 -3.27 117.00 132.72 1xpw n LEU 6 Ca 0.26 0.21 0.13 0.00 -0.03 0.00 0.00 56.01 56.58 1xpw n LEU 6 Cb 0.50 -0.32 0.30 0.00 -2.33 0.00 0.00 43.42 41.57 1xpw n LEU 6 CO 0.67 0.06 0.62 0.00 -1.33 0.00 0.00 177.39 177.41 1xpw s LEU 8 N -2.37 4.40 0.35 0.00 1.43 -1.20 -4.73 118.68 116.56 1xpw s LEU 8 Ca 0.26 2.68 0.26 0.00 -1.03 0.00 0.00 54.13 56.30 1xpw s LEU 8 Cb 0.19 -3.64 1.21 0.00 0.03 0.00 0.00 46.19 43.99 1xpw s LEU 8 CO 0.48 -0.64 1.79 0.28 0.23 0.00 0.00 176.35 178.50 1xpw h SER 9 N 4.28 0.00 1.10 2.29 0.02 -1.90 0.18 113.55 119.52 1xpw h SER 9 Ca -0.47 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.42 1xpw h SER 9 Cb 1.22 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.75 1xpw h SER 9 CO 0.72 0.00 -0.27 0.28 -1.14 0.00 0.00 176.83 176.42 1xpw h SER 10 N 0.00 0.00 0.58 3.07 0.02 -1.89 -2.41 113.55 112.92 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 0.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.79 1xpw h SER 10 CO 0.00 0.27 -0.18 -0.62 -1.14 0.00 0.00 176.83 175.15 1xpw n GLU 11 N -3.34 0.32 -0.02 3.45 -0.58 0.03 -4.90 120.64 115.60 1xpw n GLU 11 Ca 0.01 -0.11 0.00 0.00 -0.42 0.00 0.00 57.16 56.64 1xpw n GLU 11 Cb 0.50 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.87 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 1.40 0.83 3.65 0.62 0.00 -0.90 -4.97 105.19 105.82 1xpw n GLY 12 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.33 6.77 0.23 1.61 0.01 -1.09 -4.64 113.70 114.27 1xpw s SER 13 Ca 0.00 0.95 0.10 0.00 1.31 0.00 0.00 55.95 58.32 1xpw s SER 13 Cb 0.00 -2.40 -0.04 0.00 0.21 0.00 0.00 66.02 63.79 1xpw s SER 13 CO 0.00 -0.39 -0.12 -1.61 0.41 0.00 0.00 173.24 171.53 1xpw s GLU 14 N 2.36 1.95 0.06 12.44 2.02 -0.57 -3.47 118.70 133.49 1xpw s GLU 14 Ca 0.32 -1.47 -0.13 0.00 0.02 0.00 0.00 54.97 53.72 1xpw s GLU 14 Cb -0.16 -2.02 -0.06 0.00 0.10 0.00 0.00 34.13 32.00 1xpw s GLU 14 CO 0.10 0.38 0.43 0.14 0.02 0.00 0.00 175.26 176.33 1xpw s VAL 15 N -2.08 5.03 -0.02 2.63 -7.23 -1.26 -0.38 120.40 117.08 1xpw s VAL 15 Ca 0.27 0.67 0.00 0.00 -1.81 0.00 0.00 61.98 61.12 1xpw s VAL 15 Cb -0.07 -3.69 0.03 0.00 0.56 0.00 0.00 36.38 33.21 1xpw s VAL 15 CO 0.16 0.40 0.02 -0.51 -0.31 0.00 0.00 175.10 174.86 1xpw s ILE 16 N -1.28 -0.02 -0.15 -0.62 2.07 0.53 -4.93 121.20 116.82 1xpw s ILE 16 Ca 0.30 0.19 -0.00 0.00 -1.41 0.00 0.00 60.65 59.73 1xpw s ILE 16 Cb -0.15 -0.11 0.00 0.00 0.13 0.00 0.00 42.46 42.33 1xpw s ILE 16 CO 0.16 0.10 0.00 -0.11 -1.91 0.00 0.00 174.94 173.18 1xpw n LEU 17 N 4.14 -4.91 -4.23 8.50 0.00 -1.26 -1.87 117.00 117.37 1xpw n LEU 17 Ca -0.27 0.71 -0.32 0.00 0.00 0.00 0.00 56.01 56.13 1xpw n LEU 17 Cb 0.50 -2.14 -0.17 0.00 0.00 0.00 0.00 43.42 41.61 1xpw n LEU 17 CO 0.22 -1.58 -0.55 0.00 0.00 0.00 0.00 177.39 175.48 1xpw s ALA 18 N -0.78 2.20 0.12 1.96 0.00 -1.26 -2.97 121.76 121.04 1xpw s ALA 18 Ca -0.00 -0.96 -0.28 0.00 0.00 0.00 0.00 51.96 50.72 1xpw s ALA 18 Cb 0.00 -0.84 -0.07 0.00 0.00 0.00 0.00 23.12 22.22 1xpw s ALA 18 CO 0.38 0.29 1.62 1.15 0.00 0.00 0.00 175.76 179.20 1xpw h THR 19 N 5.69 0.32 -4.09 0.00 2.02 -1.82 -3.43 112.91 111.60 1xpw h THR 19 Ca -0.19 0.00 -0.69 0.00 0.77 0.00 0.00 66.41 66.30 1xpw h THR 19 Cb 1.24 0.32 -0.24 0.00 -1.74 0.00 0.00 68.15 67.73 1xpw h THR 19 CO 0.48 0.00 -0.84 -0.55 0.37 0.00 0.00 175.52 174.98 1xpw s SER 20 N -4.82 3.52 -0.09 4.18 0.15 -1.26 -5.08 113.70 110.30 1xpw s SER 20 Ca -0.16 -0.52 -0.05 0.00 0.70 0.00 0.00 55.95 55.92 1xpw s SER 20 Cb 0.09 -0.45 0.04 0.00 -1.71 0.00 0.00 66.02 63.98 1xpw s SER 20 CO 0.65 0.25 0.21 -0.44 1.20 0.00 0.00 173.24 175.11 1xpw s SER 21 N -1.44 -0.21 0.19 5.45 0.01 -1.26 -4.71 113.70 111.73 1xpw s SER 21 Ca 0.14 0.44 0.10 0.00 1.31 0.00 0.00 55.95 57.93 1xpw s SER 21 Cb -0.10 0.35 -0.04 0.00 0.21 0.00 0.00 66.02 66.44 1xpw s SER 21 CO 0.04 -0.14 -0.15 -0.62 0.41 0.00 0.00 173.24 172.78 1xpw s ASP 22 N 1.00 3.96 0.11 2.44 2.15 -1.18 -5.00 116.67 120.14 1xpw s ASP 22 Ca -0.07 -0.69 -0.13 0.00 0.43 0.00 0.00 52.55 52.09 1xpw s ASP 22 Cb -0.09 -0.55 -0.11 0.00 -0.30 0.00 0.00 42.92 41.87 1xpw s ASP 22 CO -0.06 0.11 1.37 -0.33 -0.17 0.00 0.00 175.17 176.09 1xpw h GLU 23 N 2.99 0.81 0.08 4.34 5.08 -2.02 -2.05 114.58 123.81 1xpw h GLU 23 Ca -0.46 -0.54 -0.26 0.00 -1.00 0.00 0.00 59.36 57.09 1xpw h GLU 23 Cb 1.21 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 1xpw h GLU 23 CO 0.52 1.16 -1.27 0.87 -1.00 0.00 0.00 179.01 179.30 1xpw h LYS 24 N 0.56 0.18 -2.76 2.33 1.57 -2.03 -3.39 116.57 113.03 1xpw h LYS 24 Ca 0.00 -0.30 -0.61 0.00 -1.87 0.00 0.00 60.65 57.87 1xpw h LYS 24 Cb 1.16 0.11 -0.40 0.00 0.08 0.00 0.00 32.23 33.18 1xpw h LYS 24 CO 0.12 1.09 -0.77 -1.01 -0.57 0.00 0.00 179.45 178.32 1xpw s HIS 25 N -2.66 2.28 0.62 -1.35 3.76 -1.24 -5.12 115.29 111.59 1xpw s HIS 25 Ca -0.04 -2.78 -0.15 0.00 -0.15 0.00 0.00 55.06 51.95 1xpw s HIS 25 Cb 0.08 -1.82 -0.02 0.00 1.11 0.00 0.00 32.58 31.92 1xpw s HIS 25 CO 0.86 -0.70 1.07 -1.25 -0.85 0.00 0.00 174.74 173.86 1xpw s PRO 26 N -0.55 3.16 0.00 8.40 0.04 -0.77 -3.12 135.00 142.15 1xpw s PRO 26 Ca 0.27 1.19 0.05 0.00 0.04 0.00 0.00 61.00 62.56 1xpw s PRO 26 Cb -0.04 -2.01 0.23 0.00 0.04 0.00 0.00 34.50 32.72 1xpw s PRO 26 CO -0.16 -0.94 1.15 -2.30 0.04 0.00 0.00 177.00 174.79 1xpw n PRO 27 N -2.29 0.01 0.10 0.56 -0.02 -1.26 -1.01 135.00 131.10 1xpw n PRO 27 Ca 0.09 0.39 0.12 0.00 -2.02 0.00 0.00 63.50 62.08 1xpw n PRO 27 Cb 0.53 -1.50 0.46 0.00 -0.02 0.00 0.00 33.50 32.96 1xpw n PRO 27 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1xpw n GLU 28 N -1.48 0.19 0.00 -0.52 1.02 -1.26 -2.38 120.64 116.21 1xpw n GLU 28 Ca 0.01 0.31 0.14 0.00 -0.02 0.00 0.00 57.16 57.61 1xpw n GLU 28 Cb 0.06 -1.79 0.64 0.00 -0.02 0.00 0.00 31.44 30.33 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 -2.14 0.81 0.23 1.62 5.03 -0.18 -2.70 115.26 117.95 1xpw n ASN 29 Ca 0.04 -1.08 0.11 0.00 0.87 0.00 0.00 54.58 54.51 1xpw n ASN 29 Cb 0.30 -0.01 0.53 0.00 -1.02 0.00 0.00 39.78 39.58 1xpw n ASN 29 CO 0.00 0.00 0.00 0.40 -1.83 0.00 0.00 177.26 175.83 1xpw h ILE 30 N 1.20 0.53 0.00 2.41 2.04 -1.65 -3.38 117.51 118.65 1xpw h ILE 30 Ca 0.00 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 64.89 1xpw h ILE 30 Cb 0.34 1.66 0.00 0.00 -0.74 0.00 0.00 36.82 38.08 1xpw h ILE 30 CO 0.00 0.19 0.00 -0.38 0.00 0.00 0.00 178.15 177.96 1xpw n ILE 31 N -3.42 0.00 0.00 -0.67 5.41 -1.19 -2.83 119.36 116.65 1xpw n ILE 31 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1xpw n ILE 31 Cb 0.38 -0.44 0.00 0.00 -0.71 0.00 0.00 39.64 38.87 1xpw n ILE 31 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1xpw n ASP 32 N -0.37 0.00 0.00 4.38 2.03 -1.10 -3.66 116.55 117.83 1xpw n ASP 32 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1xpw n ASP 32 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 0.00 0.67 3.06 0.27 0.00 -1.26 -4.90 105.19 103.03 1xpw n GLY 33 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.90 3.91 0.00 1.61 0.01 -1.24 -4.98 114.94 112.35 1xpw s ASN 34 Ca 0.00 -1.12 0.12 0.00 -0.71 0.00 0.00 52.86 51.15 1xpw s ASN 34 Cb 0.00 -1.45 0.60 0.00 0.41 0.00 0.00 41.25 40.81 1xpw s ASN 34 CO 0.00 -0.14 1.32 -2.65 -1.51 0.00 0.00 177.10 174.12 1xpw n PRO 35 N 4.54 0.14 0.20 -0.60 -0.02 -1.26 -2.08 135.00 135.91 1xpw n PRO 35 Ca -0.16 0.20 0.14 0.00 -2.02 0.00 0.00 63.50 61.66 1xpw n PRO 35 Cb 0.45 -1.50 0.53 0.00 -0.02 0.00 0.00 33.50 32.96 1xpw n PRO 35 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1xpw h GLU 36 N 0.00 0.00 -6.66 -0.52 5.08 -1.94 -3.43 114.58 107.11 1xpw h GLU 36 Ca 0.00 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.88 1xpw h GLU 36 Cb 0.14 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.40 1xpw h GLU 36 CO 0.00 0.00 -0.08 0.99 -1.00 0.00 0.00 179.01 178.92 1xpw s THR 37 N -3.43 5.03 0.11 1.13 2.01 -0.89 -5.10 115.64 114.51 1xpw s THR 37 Ca 0.04 -0.21 -0.17 0.00 0.31 0.00 0.00 61.69 61.66 1xpw s THR 37 Cb 0.09 -3.86 0.04 0.00 0.01 0.00 0.00 72.50 68.78 1xpw s THR 37 CO 0.51 -0.65 0.41 0.72 -0.69 0.00 0.00 174.62 174.93 1xpw s PHE 38 N -2.45 -0.24 0.08 4.92 -0.12 -1.26 -4.28 117.98 114.63 1xpw s PHE 38 Ca 0.43 -0.01 0.08 0.00 -0.05 0.00 0.00 56.93 57.37 1xpw s PHE 38 Cb -0.10 0.27 -0.03 0.00 -0.63 0.00 0.00 43.02 42.53 1xpw s PHE 38 CO 0.39 -0.68 -0.20 -0.46 -0.05 0.00 0.00 175.22 174.22 1xpw s TRP 39 N -3.50 1.75 0.03 3.49 -0.00 0.38 -4.87 118.94 116.23 1xpw s TRP 39 Ca 0.01 -0.40 0.02 0.00 -0.00 0.00 0.00 56.10 55.72 1xpw s TRP 39 Cb 0.01 -0.99 -0.02 0.00 -0.00 0.00 0.00 33.47 32.47 1xpw s TRP 39 CO -0.10 0.16 -0.06 -0.08 -0.00 0.00 0.00 176.95 176.87 1xpw s THR 40 N -1.04 0.41 0.50 5.86 -1.32 -1.26 -0.65 115.64 118.14 1xpw s THR 40 Ca 0.06 -0.82 -0.19 0.00 -1.21 0.00 0.00 61.69 59.53 1xpw s THR 40 Cb -0.10 -0.46 -0.08 0.00 -1.51 0.00 0.00 72.50 70.35 1xpw s THR 40 CO 0.03 -0.29 1.01 0.28 -2.21 0.00 0.00 174.62 173.45 1xpw s THR 41 N -1.07 4.05 -0.28 5.08 -1.32 -1.18 -4.88 115.64 116.04 1xpw s THR 41 Ca -0.08 1.17 0.00 0.00 -1.21 0.00 0.00 61.69 61.57 1xpw s THR 41 Cb -0.08 -3.52 0.25 0.00 -1.51 0.00 0.00 72.50 67.65 1xpw s THR 41 CO 0.00 -0.38 1.81 0.35 -2.21 0.00 0.00 174.62 174.19 1xpw n THR 42 N -1.19 2.52 -1.40 5.08 -2.24 -1.26 -4.43 114.28 111.35 1xpw n THR 42 Ca 0.08 -1.39 0.00 0.00 -2.27 0.00 0.00 64.05 60.47 1xpw n THR 42 Cb 0.53 -1.12 0.00 0.00 -2.10 0.00 0.00 70.33 67.64 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 0.12 0.47 3.20 3.38 0.00 -1.20 -5.03 105.19 106.13 1xpw n GLY 43 Ca 0.29 -0.91 -0.36 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.84 2.44 0.03 1.61 -1.94 -1.26 -5.06 119.30 112.27 1xpw s MET 44 Ca 0.00 -1.32 0.02 0.00 -1.71 0.00 0.00 55.69 52.68 1xpw s MET 44 Cb 0.00 -3.35 -0.04 0.00 2.01 0.00 0.00 34.83 33.45 1xpw s MET 44 CO 0.00 -0.71 0.03 -0.06 -0.01 0.00 0.00 175.02 174.27 1xpw s PHE 45 N 1.29 3.13 0.88 -0.03 0.40 -1.26 -4.25 117.98 118.15 1xpw s PHE 45 Ca -0.02 0.10 -0.11 0.00 -0.60 0.00 0.00 56.93 56.30 1xpw s PHE 45 Cb -0.20 -1.66 0.18 0.00 0.51 0.00 0.00 43.02 41.85 1xpw s PHE 45 CO -0.00 0.50 1.21 -1.25 0.70 0.00 0.00 175.22 176.38 1xpw s PRO 46 N -1.86 0.95 -0.34 0.24 0.05 -1.26 -5.12 135.00 127.66 1xpw s PRO 46 Ca 0.23 -0.70 -0.08 0.00 0.05 0.00 0.00 61.00 60.50 1xpw s PRO 46 Cb -0.12 -2.01 0.02 0.00 0.05 0.00 0.00 34.50 32.44 1xpw s PRO 46 CO 0.14 -2.11 0.13 -0.65 0.05 0.00 0.00 177.00 174.56 1xpw s GLN 47 N -5.64 2.86 -0.14 4.56 1.11 0.09 -4.93 119.66 117.57 1xpw s GLN 47 Ca 0.72 -1.03 0.00 0.00 0.01 0.00 0.00 55.36 55.06 1xpw s GLN 47 Cb -0.04 -3.53 -0.01 0.00 -1.01 0.00 0.00 33.01 28.42 1xpw s GLN 47 CO 0.50 -0.60 -0.14 -1.83 0.01 0.00 0.00 175.29 173.23 1xpw s GLU 48 N 1.49 3.32 -0.11 2.91 -1.05 -1.26 -0.41 118.70 123.59 1xpw s GLU 48 Ca 0.01 -0.71 -0.08 0.00 -0.15 0.00 0.00 54.97 54.04 1xpw s GLU 48 Cb -0.19 -2.63 0.04 0.00 -0.44 0.00 0.00 34.13 30.91 1xpw s GLU 48 CO 0.04 0.13 0.27 -0.59 0.95 0.00 0.00 175.26 176.07 1xpw s PHE 49 N 0.54 -0.34 -0.11 4.83 -0.71 -0.80 -2.31 117.98 119.08 1xpw s PHE 49 Ca -0.09 0.80 -0.02 0.00 -1.04 0.00 0.00 56.93 56.58 1xpw s PHE 49 Cb -0.16 0.09 -0.03 0.00 -1.21 0.00 0.00 43.02 41.72 1xpw s PHE 49 CO 0.04 -0.20 -0.04 0.42 -1.34 0.00 0.00 175.22 174.10 1xpw s ILE 50 N 0.73 3.88 -0.21 -4.49 1.01 -0.78 -1.52 121.20 119.83 1xpw s ILE 50 Ca -0.05 -0.39 -0.04 0.00 0.00 0.00 0.00 60.65 60.17 1xpw s ILE 50 Cb -0.06 -2.64 -0.01 0.00 0.01 0.00 0.00 42.46 39.75 1xpw s ILE 50 CO -0.05 0.56 -0.03 -0.63 0.00 0.00 0.00 174.94 174.79 1xpw s ILE 51 N -0.32 3.54 -0.32 2.92 1.01 0.47 -0.34 121.20 128.16 1xpw s ILE 51 Ca 0.05 -0.44 -0.14 0.00 0.00 0.00 0.00 60.65 60.12 1xpw s ILE 51 Cb -0.12 -2.61 -0.02 0.00 0.01 0.00 0.00 42.46 39.72 1xpw s ILE 51 CO 0.02 0.43 0.32 0.00 0.00 0.00 0.00 174.94 175.71 1xpw h PHE 53 N 8.39 0.00 0.00 0.00 0.04 -1.54 -1.52 116.94 122.30 1xpw h PHE 53 Ca -0.31 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.46 1xpw h PHE 53 Cb 1.16 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.31 1xpw h PHE 53 CO 0.71 0.60 0.00 0.72 -0.60 0.00 0.00 178.31 179.74 1xpw n HIS 54 N -3.74 0.00 -4.31 -0.55 8.25 -1.26 -4.28 115.22 109.33 1xpw n HIS 54 Ca -0.01 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.28 1xpw n HIS 54 Cb 0.62 -1.12 -0.09 0.00 1.12 0.00 0.00 29.99 30.52 1xpw n HIS 54 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1xpw s LYS 55 N -0.87 1.51 -0.46 -0.41 1.02 -1.26 -4.18 119.74 115.09 1xpw s LYS 55 Ca 0.00 -1.85 -0.15 0.00 0.02 0.00 0.00 55.97 53.99 1xpw s LYS 55 Cb 0.00 -0.04 0.07 0.00 -0.52 0.00 0.00 37.83 37.34 1xpw s LYS 55 CO 0.00 -0.43 0.37 -1.01 -0.92 0.00 0.00 175.35 173.36 1xpw s HIS 56 N -3.71 3.25 0.08 3.18 3.76 -0.33 -4.61 115.29 116.91 1xpw s HIS 56 Ca 0.37 -0.96 0.09 0.00 -0.15 0.00 0.00 55.06 54.41 1xpw s HIS 56 Cb 0.06 -3.09 -0.03 0.00 1.11 0.00 0.00 32.58 30.63 1xpw s HIS 56 CO 0.17 -0.78 -0.24 0.14 -0.85 0.00 0.00 174.74 173.17 1xpw s VAL 57 N 1.62 1.99 -0.30 -0.90 -7.23 -1.26 -1.10 120.40 113.22 1xpw s VAL 57 Ca 0.04 -1.46 -0.10 0.00 -1.81 0.00 0.00 61.98 58.64 1xpw s VAL 57 Cb -0.24 -1.74 -0.02 0.00 0.56 0.00 0.00 36.38 34.94 1xpw s VAL 57 CO 0.06 0.19 0.17 -0.60 -0.31 0.00 0.00 175.10 174.62 1xpw s ARG 58 N -1.53 3.56 -0.11 4.82 3.52 0.44 -3.24 118.95 126.41 1xpw s ARG 58 Ca 0.10 -0.58 -0.20 0.00 -0.13 0.00 0.00 55.73 54.93 1xpw s ARG 58 Cb -0.10 -3.62 -0.04 0.00 -1.56 0.00 0.00 34.95 29.63 1xpw s ARG 58 CO 0.03 -0.34 0.57 0.42 -0.81 0.00 0.00 175.30 175.18 1xpw s ILE 59 N 1.68 5.12 -0.03 4.11 1.01 0.58 -0.42 121.20 133.24 1xpw s ILE 59 Ca 0.06 1.15 0.09 0.00 0.00 0.00 0.00 60.65 61.95 1xpw s ILE 59 Cb -0.17 -3.91 -0.13 0.00 0.01 0.00 0.00 42.46 38.26 1xpw s ILE 59 CO 0.08 0.28 0.16 1.21 0.00 0.00 0.00 174.94 176.67 1xpw n GLU 60 N 3.85 0.82 -3.48 2.79 4.07 0.70 -1.24 120.64 128.15 1xpw n GLU 60 Ca -0.04 -0.07 -0.13 0.00 -0.06 0.00 0.00 57.16 56.86 1xpw n GLU 60 Cb 0.51 -1.22 -0.04 0.00 -0.06 0.00 0.00 31.44 30.64 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 -2.54 1.05 -0.12 5.31 3.52 0.67 -2.01 118.95 124.83 1xpw s ARG 61 Ca -0.04 -0.14 -0.01 0.00 -0.13 0.00 0.00 55.73 55.41 1xpw s ARG 61 Cb 0.05 0.49 0.03 0.00 -1.56 0.00 0.00 34.95 33.96 1xpw s ARG 61 CO 0.38 -0.41 -0.03 -0.51 -0.81 0.00 0.00 175.30 173.92 1xpw s LEU 62 N -2.03 1.06 -0.52 -0.88 1.02 0.53 -0.36 118.68 117.49 1xpw s LEU 62 Ca -0.02 -0.38 -0.17 0.00 0.02 0.00 0.00 54.13 53.58 1xpw s LEU 62 Cb -0.01 -0.68 0.10 0.00 0.02 0.00 0.00 46.19 45.63 1xpw s LEU 62 CO -0.03 -0.19 0.51 -0.69 0.02 0.00 0.00 176.35 175.97 1xpw s VAL 63 N 1.81 5.12 -0.23 -1.59 1.01 0.49 -0.37 120.40 126.63 1xpw s VAL 63 Ca 0.03 -1.16 -0.09 0.00 0.00 0.00 0.00 61.98 60.76 1xpw s VAL 63 Cb -0.14 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.91 1xpw s VAL 63 CO -0.07 -0.81 0.12 -0.63 0.00 0.00 0.00 175.10 173.71 1xpw s ILE 64 N 1.91 5.00 -0.32 2.22 -1.09 -0.03 -1.49 121.20 127.40 1xpw s ILE 64 Ca 0.06 0.05 0.04 0.00 -2.23 0.00 0.00 60.65 58.57 1xpw s ILE 64 Cb -0.26 -3.32 0.09 0.00 -1.58 0.00 0.00 42.46 37.39 1xpw s ILE 64 CO 0.06 0.36 0.01 -1.10 -1.23 0.00 0.00 174.94 173.04 1xpw s GLN 65 N 1.09 1.63 0.17 2.79 -0.21 -0.74 -0.49 119.66 123.90 1xpw s GLN 65 Ca 0.06 -1.72 -0.02 0.00 0.02 0.00 0.00 55.36 53.71 1xpw s GLN 65 Cb -0.14 -3.09 0.01 0.00 1.00 0.00 0.00 33.01 30.79 1xpw s GLN 65 CO 0.04 -0.85 0.25 0.43 -2.12 0.00 0.00 175.29 173.04 1xpw n SER 66 N 4.32 -0.71 -4.09 5.90 7.64 -0.79 -0.47 113.62 125.43 1xpw n SER 66 Ca -0.01 -1.89 -0.07 0.00 1.01 0.00 0.00 58.87 57.91 1xpw n SER 66 Cb 0.42 1.29 -0.10 0.00 -1.01 0.00 0.00 64.21 64.81 1xpw n SER 66 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1xpw s TYR 67 N -4.22 0.52 0.00 1.43 2.02 -0.85 -2.74 117.35 113.51 1xpw s TYR 67 Ca 0.13 -1.06 0.00 0.00 -0.37 0.00 0.00 57.07 55.77 1xpw s TYR 67 Cb -0.01 -0.39 0.00 0.00 -0.40 0.00 0.00 41.96 41.17 1xpw s TYR 67 CO 0.09 -0.38 0.00 1.19 -1.57 0.00 0.00 175.55 174.89 1xpw n PHE 68 N 0.13 0.00 -3.97 2.71 3.72 -1.26 -4.16 117.46 114.63 1xpw n PHE 68 Ca -0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 1xpw n PHE 68 Cb 0.61 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.15 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 -4.53 118.33 108.48 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 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 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 -1.32 0.00 -3.97 5.55 7.27 -1.15 -1.26 117.38 122.51 1xpw n GLN 70 Ca 0.00 0.00 -0.32 0.00 0.07 0.00 0.00 57.00 56.75 1xpw n GLN 70 Cb 0.00 0.00 -0.14 0.00 2.41 0.00 0.00 30.24 32.51 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 0.00 2.50 -0.23 1.69 2.01 -0.47 -2.45 115.64 118.69 1xpw s THR 71 Ca 0.00 -2.18 -0.01 0.00 0.31 0.00 0.00 61.69 59.82 1xpw s THR 71 Cb 0.00 -2.76 0.02 0.00 0.01 0.00 0.00 72.50 69.77 1xpw s THR 71 CO 0.00 -0.54 -0.10 -0.22 -0.69 0.00 0.00 174.62 173.08 1xpw s LEU 72 N 0.98 2.92 -0.20 4.42 2.96 -0.85 -0.41 118.68 128.50 1xpw s LEU 72 Ca 0.08 -0.81 -0.10 0.00 -0.22 0.00 0.00 54.13 53.07 1xpw s LEU 72 Cb -0.20 -1.61 -0.05 0.00 0.50 0.00 0.00 46.19 44.83 1xpw s LEU 72 CO -0.07 -0.09 0.13 -1.59 -1.32 0.00 0.00 176.35 173.41 1xpw s LYS 73 N 1.31 4.16 -0.52 1.98 0.00 -0.34 -0.38 119.74 125.95 1xpw s LYS 73 Ca 0.01 -0.22 -0.17 0.00 0.00 0.00 0.00 55.97 55.59 1xpw s LYS 73 Cb -0.16 -3.40 0.10 0.00 0.00 0.00 0.00 37.83 34.36 1xpw s LYS 73 CO -0.07 0.31 0.50 0.42 0.00 0.00 0.00 175.35 176.52 1xpw s ILE 74 N 0.33 5.13 -0.14 3.79 1.01 0.27 -2.30 121.20 129.29 1xpw s ILE 74 Ca 0.08 -1.16 -0.04 0.00 0.00 0.00 0.00 60.65 59.53 1xpw s ILE 74 Cb -0.11 -4.27 -0.03 0.00 0.01 0.00 0.00 42.46 38.05 1xpw s ILE 74 CO -0.02 -0.79 -0.00 -0.70 0.00 0.00 0.00 174.94 173.43 1xpw s GLU 75 N 1.87 3.52 0.14 2.79 2.12 -0.92 -2.88 118.70 125.33 1xpw s GLU 75 Ca 0.06 -0.45 0.10 0.00 0.36 0.00 0.00 54.97 55.05 1xpw s GLU 75 Cb -0.26 -2.94 -0.04 0.00 0.26 0.00 0.00 34.13 31.15 1xpw s GLU 75 CO 0.06 0.40 -0.24 -1.59 -0.54 0.00 0.00 175.26 173.35 1xpw s LYS 76 N -0.04 1.54 -0.10 4.30 -2.85 -0.31 -0.38 119.74 121.91 1xpw s LYS 76 Ca 0.03 -1.34 -0.01 0.00 -1.00 0.00 0.00 55.97 53.65 1xpw s LYS 76 Cb -0.13 -1.95 0.03 0.00 -2.06 0.00 0.00 37.83 33.72 1xpw s LYS 76 CO 0.02 0.45 -0.01 -1.12 0.10 0.00 0.00 175.35 174.79 1xpw s SER 77 N -2.22 1.91 -0.49 0.03 0.01 0.19 -0.42 113.70 112.71 1xpw s SER 77 Ca 0.17 -0.24 0.03 0.00 1.31 0.00 0.00 55.95 57.21 1xpw s SER 77 Cb -0.10 -0.54 0.62 0.00 0.21 0.00 0.00 66.02 66.21 1xpw s SER 77 CO 0.08 -0.20 1.93 0.41 0.41 0.00 0.00 173.24 175.87 1xpw n THR 78 N 5.09 3.28 -2.33 1.44 -1.04 -1.26 -0.13 114.28 119.33 1xpw n THR 78 Ca -0.08 -2.16 -0.27 0.00 -2.04 0.00 0.00 64.05 59.50 1xpw n THR 78 Cb 0.50 -0.61 0.03 0.00 -1.82 0.00 0.00 70.33 68.43 1xpw n THR 78 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1xpw s SER 79 N -1.45 5.65 0.14 8.00 0.01 -1.26 -4.78 113.70 120.01 1xpw s SER 79 Ca 0.58 0.81 0.24 0.00 1.31 0.00 0.00 55.95 58.89 1xpw s SER 79 Cb 0.48 -1.81 0.21 0.00 0.21 0.00 0.00 66.02 65.12 1xpw s SER 79 CO 0.08 -1.05 1.21 0.11 0.41 0.00 0.00 173.24 174.01 1xpw h LYS 80 N -0.21 0.00 -6.03 12.44 1.57 -1.94 -3.46 116.57 118.93 1xpw h LYS 80 Ca -0.45 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 57.74 1xpw h LYS 80 Cb 1.25 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 33.45 1xpw h LYS 80 CO 0.61 0.00 -0.63 -1.21 -0.57 0.00 0.00 179.45 177.65 1xpw s GLU 81 N -3.23 2.04 0.00 3.15 0.41 -1.26 -5.02 118.70 114.80 1xpw s GLU 81 Ca 0.04 -1.75 0.00 0.00 -0.41 0.00 0.00 54.97 52.85 1xpw s GLU 81 Cb 0.12 -1.91 0.00 0.00 -1.78 0.00 0.00 34.13 30.56 1xpw s GLU 81 CO 0.75 0.16 1.30 -0.35 -0.49 0.00 0.00 175.26 176.63 1xpw n PRO 82 N -0.91 0.90 -2.94 0.39 -0.04 -1.26 -4.78 135.00 126.36 1xpw n PRO 82 Ca -0.04 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.33 1xpw n PRO 82 Cb 0.62 -1.05 -0.03 0.00 -0.04 0.00 0.00 33.50 33.00 1xpw n PRO 82 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1xpw n VAL 83 N 0.99 0.00 -2.54 0.52 0.24 -1.26 -5.04 118.33 111.24 1xpw n VAL 83 Ca 0.00 -0.99 -0.05 0.00 -2.04 0.00 0.00 64.34 61.26 1xpw n VAL 83 Cb 0.45 0.46 -0.04 0.00 -1.47 0.00 0.00 33.84 33.24 1xpw n VAL 83 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1xpw n ASP 84 N -2.28 -1.66 -4.57 -1.34 2.03 -1.26 -4.71 116.55 102.75 1xpw n ASP 84 Ca 0.02 1.27 -0.35 0.00 0.52 0.00 0.00 54.79 56.25 1xpw n ASP 84 Cb 0.25 -4.99 -0.11 0.00 -0.72 0.00 0.00 41.12 35.55 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 -0.78 3.17 -0.25 -0.67 0.08 -1.26 -4.71 117.98 113.55 1xpw s PHE 85 Ca -0.23 -0.09 -0.08 0.00 0.12 0.00 0.00 56.93 56.65 1xpw s PHE 85 Cb 0.02 -2.07 -0.04 0.00 -0.57 0.00 0.00 43.02 40.36 1xpw s PHE 85 CO 0.74 0.03 0.11 -2.00 -0.10 0.00 0.00 175.22 174.00 1xpw s GLU 86 N 0.55 3.77 0.32 0.44 2.12 0.45 -4.97 118.70 121.38 1xpw s GLU 86 Ca 0.02 -0.42 -0.29 0.00 0.36 0.00 0.00 54.97 54.64 1xpw s GLU 86 Cb -0.13 -3.42 -0.10 0.00 0.26 0.00 0.00 34.13 30.74 1xpw s GLU 86 CO 0.02 -0.14 1.36 1.14 -0.54 0.00 0.00 175.26 177.09 1xpw s GLN 87 N 1.55 4.30 0.00 4.30 1.03 -1.26 -1.16 119.66 128.42 1xpw s GLN 87 Ca 0.06 2.28 0.00 0.00 0.04 0.00 0.00 55.36 57.75 1xpw s GLN 87 Cb -0.15 -3.07 0.00 0.00 0.03 0.00 0.00 33.01 29.82 1xpw s GLN 87 CO 0.06 -0.29 0.00 1.87 -2.54 0.00 0.00 175.29 174.39 1xpw n TRP 88 N 1.09 0.00 -3.97 9.60 -0.00 -1.21 -4.87 117.44 118.07 1xpw n TRP 88 Ca 0.02 0.00 -0.08 0.00 -0.00 0.00 0.00 57.50 57.43 1xpw n TRP 88 Cb 0.41 0.01 -0.09 0.00 -0.00 0.00 0.00 31.31 31.64 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 -0.05 0.16 -0.01 5.87 -4.36 -1.14 -5.06 121.20 116.61 1xpw s ILE 89 Ca 0.00 -1.32 0.08 0.00 -0.26 0.00 0.00 60.65 59.15 1xpw s ILE 89 Cb 0.00 -1.10 -0.02 0.00 1.25 0.00 0.00 42.46 42.59 1xpw s ILE 89 CO 0.00 -0.73 -0.26 -1.61 0.24 0.00 0.00 174.94 172.58 1xpw s GLU 90 N -3.11 2.07 -0.25 0.37 2.02 -1.26 -0.56 118.70 117.98 1xpw s GLU 90 Ca -0.01 -0.95 -0.00 0.00 0.02 0.00 0.00 54.97 54.03 1xpw s GLU 90 Cb 0.02 -2.03 0.07 0.00 0.10 0.00 0.00 34.13 32.29 1xpw s GLU 90 CO -0.07 0.55 0.00 0.15 0.02 0.00 0.00 175.26 175.92 1xpw s LYS 91 N -0.69 1.21 -0.23 1.61 -0.14 0.49 -4.95 119.74 117.04 1xpw s LYS 91 Ca 0.10 -0.93 -0.11 0.00 -1.36 0.00 0.00 55.97 53.67 1xpw s LYS 91 Cb -0.10 -2.41 -0.05 0.00 -1.68 0.00 0.00 37.83 33.59 1xpw s LYS 91 CO -0.01 -0.70 0.18 0.16 -0.76 0.00 0.00 175.35 174.22 1xpw s ASP 92 N 1.51 6.17 0.14 2.83 -4.77 -1.26 -2.00 116.67 119.30 1xpw s ASP 92 Ca -0.01 0.18 0.07 0.00 -3.30 0.00 0.00 52.55 49.49 1xpw s ASP 92 Cb -0.18 -2.11 -0.04 0.00 -1.09 0.00 0.00 42.92 39.49 1xpw s ASP 92 CO -0.10 0.08 -0.03 -0.76 0.70 0.00 0.00 175.17 175.06 1xpw s LEU 93 N 0.91 3.25 0.07 2.11 1.43 -1.03 -5.02 118.68 120.40 1xpw s LEU 93 Ca 0.09 -0.37 0.06 0.00 -1.03 0.00 0.00 54.13 52.88 1xpw s LEU 93 Cb -0.13 -1.95 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 1xpw s LEU 93 CO 0.03 0.12 -0.10 -0.69 0.23 0.00 0.00 176.35 175.94 1xpw s VAL 94 N -1.54 3.35 -0.46 -1.59 1.01 -1.26 -4.15 120.40 115.76 1xpw s VAL 94 Ca 0.26 -1.13 -0.27 0.00 0.00 0.00 0.00 61.98 60.83 1xpw s VAL 94 Cb -0.10 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 1xpw s VAL 94 CO 0.17 0.21 2.08 -2.28 0.00 0.00 0.00 175.10 175.28 1xpw s HIS 95 N -1.12 1.43 -0.01 5.22 2.46 -1.26 -4.91 115.29 117.10 1xpw s HIS 95 Ca 0.19 0.98 -0.17 0.00 0.47 0.00 0.00 55.06 56.54 1xpw s HIS 95 Cb -0.11 -3.91 -0.06 0.00 -0.13 0.00 0.00 32.58 28.38 1xpw s HIS 95 CO 0.11 -2.74 0.48 0.95 -2.47 0.00 0.00 174.74 171.07 1xpw s THR 96 N 9.59 4.98 -0.32 0.89 -4.23 -1.26 -5.06 115.64 120.23 1xpw s THR 96 Ca 0.84 0.99 -0.13 0.00 -1.18 0.00 0.00 61.69 62.21 1xpw s THR 96 Cb -0.19 -3.80 -0.03 0.00 1.34 0.00 0.00 72.50 69.83 1xpw s THR 96 CO 0.27 0.50 0.27 -0.70 -0.54 0.00 0.00 174.62 174.42 1xpw s GLU 97 N -0.62 3.69 0.00 3.99 -6.30 -1.26 -4.28 118.70 113.92 1xpw s GLU 97 Ca 0.26 -0.43 0.00 0.00 -2.50 0.00 0.00 54.97 52.30 1xpw s GLU 97 Cb -0.17 -3.75 0.00 0.00 0.00 0.00 0.00 34.13 30.21 1xpw s GLU 97 CO 0.14 -0.37 0.00 0.41 0.02 0.00 0.00 175.26 175.46 1xpw n GLY 98 N 5.02 2.79 3.60 -1.50 0.00 -1.26 -4.96 105.19 108.88 1xpw n GLY 98 Ca -0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 1xpw n GLY 98 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1xpw s GLN 99 N -0.07 3.92 0.19 1.61 0.74 -1.26 -5.06 119.66 119.74 1xpw s GLN 99 Ca 0.00 0.11 -0.30 0.00 0.05 0.00 0.00 55.36 55.22 1xpw s GLN 99 Cb 0.00 -3.70 -0.08 0.00 1.10 0.00 0.00 33.01 30.33 1xpw s GLN 99 CO 0.00 -0.42 1.02 -1.17 -0.55 0.00 0.00 175.29 174.17 1xpw s LEU 100 N 2.28 4.55 -1.12 3.68 0.20 -1.26 -4.59 118.68 122.41 1xpw s LEU 100 Ca 0.19 1.99 -0.22 0.00 0.69 0.00 0.00 54.13 56.78 1xpw s LEU 100 Cb -0.16 -3.60 -0.04 0.00 -0.43 0.00 0.00 46.19 41.96 1xpw s LEU 100 CO 0.11 -0.06 1.86 -1.10 -0.29 0.00 0.00 176.35 176.87 1xpw s GLN 101 N -0.63 2.85 -0.70 1.98 -1.52 -1.11 -4.86 119.66 115.67 1xpw s GLN 101 Ca 0.46 -1.08 -0.16 0.00 -1.95 0.00 0.00 55.36 52.62 1xpw s GLN 101 Cb -0.27 -5.26 0.16 0.00 -0.22 0.00 0.00 33.01 27.42 1xpw s GLN 101 CO 0.33 -3.39 0.72 -0.80 -0.25 0.00 0.00 175.29 171.91 1xpw s ASN 102 N 6.37 6.45 -0.27 5.90 -0.87 -1.26 -1.89 114.94 129.38 1xpw s ASN 102 Ca 0.64 -2.06 -0.12 0.00 -1.57 0.00 0.00 52.86 49.76 1xpw s ASN 102 Cb -0.01 -2.26 -0.05 0.00 -0.02 0.00 0.00 41.25 38.91 1xpw s ASN 102 CO 0.07 -0.85 0.23 -0.70 -2.57 0.00 0.00 177.10 173.28 1xpw s GLU 103 N 1.48 4.00 -0.75 -0.60 -6.30 0.36 -4.94 118.70 111.95 1xpw s GLU 103 Ca 0.14 -0.22 -0.15 0.00 -2.50 0.00 0.00 54.97 52.24 1xpw s GLU 103 Cb -0.18 -3.63 0.19 0.00 0.00 0.00 0.00 34.13 30.51 1xpw s GLU 103 CO -0.02 -0.14 0.72 -1.21 0.02 0.00 0.00 175.26 174.63 1xpw s GLU 104 N 1.64 3.43 -0.81 4.30 8.01 -1.26 -0.85 118.70 133.15 1xpw s GLU 104 Ca 0.09 -2.18 -0.22 0.00 0.01 0.00 0.00 54.97 52.67 1xpw s GLU 104 Cb -0.15 -4.42 0.09 0.00 -4.31 0.00 0.00 34.13 25.33 1xpw s GLU 104 CO 0.09 -1.34 1.11 0.42 0.01 0.00 0.00 175.26 175.55 1xpw s ILE 105 N 0.79 4.37 -0.47 -1.63 1.01 0.50 -4.90 121.20 120.87 1xpw s ILE 105 Ca 0.15 -0.79 -0.28 0.00 0.00 0.00 0.00 60.65 59.73 1xpw s ILE 105 Cb -0.15 -4.79 -0.01 0.00 0.01 0.00 0.00 42.46 37.52 1xpw s ILE 105 CO -0.05 -1.57 1.69 0.54 0.00 0.00 0.00 174.94 175.55 1xpw s VAL 106 N 3.83 3.56 -0.13 2.92 0.11 -1.26 -0.35 120.40 129.07 1xpw s VAL 106 Ca 0.30 0.49 -0.08 0.00 -2.93 0.00 0.00 61.98 59.77 1xpw s VAL 106 Cb -0.10 -3.96 0.05 0.00 -1.53 0.00 0.00 36.38 30.84 1xpw s VAL 106 CO 0.01 -0.75 0.32 0.00 -3.33 0.00 0.00 175.10 171.34 1xpw s ALA 107 N 7.22 -0.79 -0.27 1.54 0.00 -0.85 -4.96 121.76 123.65 1xpw s ALA 107 Ca 0.68 1.19 -0.11 0.00 0.00 0.00 0.00 51.96 53.71 1xpw s ALA 107 Cb -0.16 -0.73 -0.05 0.00 0.00 0.00 0.00 23.12 22.18 1xpw s ALA 107 CO 0.28 -0.22 0.21 -1.01 0.00 0.00 0.00 175.76 175.02 1xpw s HIS 108 N 1.13 3.23 -0.28 0.00 3.76 -1.26 -2.98 115.29 118.89 1xpw s HIS 108 Ca -0.08 0.17 -0.25 0.00 -0.15 0.00 0.00 55.06 54.75 1xpw s HIS 108 Cb -0.08 -2.39 0.12 0.00 1.11 0.00 0.00 32.58 31.33 1xpw s HIS 108 CO -0.09 -0.14 1.00 0.20 -0.85 0.00 0.00 174.74 174.86 1xpw s GLY 109 N 1.67 -0.20 -0.19 -2.22 0.00 -0.38 -5.00 107.32 101.01 1xpw s GLY 109 Ca 0.08 2.60 -0.09 0.00 0.00 0.00 0.00 44.72 47.31 1xpw s GLY 109 CO 0.10 1.82 0.12 -0.56 0.00 0.00 0.00 173.10 174.58 1xpw s SER 110 N 0.24 6.15 0.05 1.64 0.01 -1.26 -0.31 113.70 120.22 1xpw s SER 110 Ca 0.03 0.24 -0.14 0.00 1.31 0.00 0.00 55.95 57.39 1xpw s SER 110 Cb -0.05 -2.07 0.02 0.00 0.21 0.00 0.00 66.02 64.14 1xpw s SER 110 CO -0.05 0.21 0.32 0.00 0.41 0.00 0.00 173.24 174.12 1xpw s ALA 111 N 0.17 -0.71 -0.14 1.44 0.00 -1.20 -4.63 121.76 116.70 1xpw s ALA 111 Ca 0.08 -0.00 0.11 0.00 0.00 0.00 0.00 51.96 52.15 1xpw s ALA 111 Cb -0.11 0.37 -0.16 0.00 0.00 0.00 0.00 23.12 23.21 1xpw s ALA 111 CO -0.01 -0.44 0.03 0.25 0.00 0.00 0.00 175.76 175.59 1xpw n THR 112 N 0.46 0.93 -4.56 0.00 -2.24 -0.54 -4.02 114.28 104.31 1xpw n THR 112 Ca -0.18 -0.56 -0.22 0.00 -2.27 0.00 0.00 64.05 60.82 1xpw n THR 112 Cb 0.60 -0.67 -0.15 0.00 -2.10 0.00 0.00 70.33 68.00 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 -2.33 1.18 -0.19 4.78 1.51 0.82 -1.49 117.35 121.63 1xpw s TYR 113 Ca -0.08 -0.27 -0.02 0.00 -1.01 0.00 0.00 57.07 55.70 1xpw s TYR 113 Cb 0.04 -0.79 -0.00 0.00 -0.11 0.00 0.00 41.96 41.10 1xpw s TYR 113 CO 0.54 -0.07 -0.11 -0.51 -1.11 0.00 0.00 175.55 174.29 1xpw s LEU 114 N -0.09 2.63 -0.52 -1.29 1.43 -0.44 -0.64 118.68 119.77 1xpw s LEU 114 Ca 0.01 -0.45 -0.05 0.00 -1.03 0.00 0.00 54.13 52.61 1xpw s LEU 114 Cb -0.07 -1.63 0.14 0.00 0.03 0.00 0.00 46.19 44.65 1xpw s LEU 114 CO 0.00 0.03 0.35 -0.60 0.23 0.00 0.00 176.35 176.36 1xpw s ARG 115 N 1.16 2.40 -0.18 1.70 3.52 0.49 -0.40 118.95 127.64 1xpw s ARG 115 Ca 0.01 -2.10 -0.24 0.00 -0.13 0.00 0.00 55.73 53.27 1xpw s ARG 115 Cb -0.14 -3.76 -0.02 0.00 -1.56 0.00 0.00 34.95 29.47 1xpw s ARG 115 CO -0.04 -1.15 0.80 -0.06 -0.81 0.00 0.00 175.30 174.04 1xpw s PHE 116 N 0.71 3.40 -0.27 5.12 0.08 -0.58 -2.17 117.98 124.27 1xpw s PHE 116 Ca 0.11 1.19 0.02 0.00 0.12 0.00 0.00 56.93 58.37 1xpw s PHE 116 Cb -0.22 -2.98 0.07 0.00 -0.57 0.00 0.00 43.02 39.32 1xpw s PHE 116 CO -0.03 -0.25 -0.04 0.42 -0.10 0.00 0.00 175.22 175.21 1xpw s ILE 117 N 2.19 1.91 -0.61 0.64 1.01 -0.97 -1.91 121.20 123.46 1xpw s ILE 117 Ca 0.36 -1.65 -0.23 0.00 0.00 0.00 0.00 60.65 59.14 1xpw s ILE 117 Cb -0.16 -2.18 0.06 0.00 0.01 0.00 0.00 42.46 40.19 1xpw s ILE 117 CO 0.11 -0.22 0.94 -0.63 0.00 0.00 0.00 174.94 175.14 1xpw s ILE 118 N 1.18 4.38 0.07 2.92 1.01 0.46 -1.20 121.20 130.02 1xpw s ILE 118 Ca -0.03 -0.15 -0.15 0.00 0.00 0.00 0.00 60.65 60.32 1xpw s ILE 118 Cb -0.19 -4.61 -0.19 0.00 0.01 0.00 0.00 42.46 37.47 1xpw s ILE 118 CO -0.07 -1.30 1.24 0.58 0.00 0.00 0.00 174.94 175.38 1xpw h VAL 119 N 5.98 1.31 -3.56 2.92 2.07 -1.03 0.29 116.25 124.22 1xpw h VAL 119 Ca -0.28 -2.04 -0.06 0.00 0.82 0.00 0.00 66.70 65.14 1xpw h VAL 119 Cb 1.07 2.20 -0.13 0.00 -1.52 0.00 0.00 31.29 32.91 1xpw h VAL 119 CO 1.14 0.63 -0.18 -0.44 0.02 0.00 0.00 177.57 178.73 1xpw s SER 120 N -7.06 -0.10 0.11 0.57 0.01 -1.18 -4.54 113.70 101.52 1xpw s SER 120 Ca -0.11 -0.48 -0.07 0.00 1.31 0.00 0.00 55.95 56.60 1xpw s SER 120 Cb 0.07 0.43 -0.01 0.00 0.21 0.00 0.00 66.02 66.72 1xpw s SER 120 CO 0.89 -0.83 0.18 0.00 0.41 0.00 0.00 173.24 173.89 1xpw s ALA 121 N -3.84 0.06 0.43 1.44 0.00 -1.26 -1.37 121.76 117.23 1xpw s ALA 121 Ca 0.05 -0.87 0.31 0.00 0.00 0.00 0.00 51.96 51.45 1xpw s ALA 121 Cb 0.03 0.63 1.62 0.00 0.00 0.00 0.00 23.12 25.39 1xpw s ALA 121 CO -0.10 -0.54 2.12 0.74 0.00 0.00 0.00 175.76 177.99 1xpw h PHE 122 N 2.74 0.00 -4.54 0.00 0.04 -1.47 -3.44 116.94 110.27 1xpw h PHE 122 Ca -0.33 0.00 -0.44 0.00 2.80 0.00 0.00 57.97 60.00 1xpw h PHE 122 Cb 1.20 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 39.26 1xpw h PHE 122 CO 0.43 0.08 -0.34 -3.47 -0.60 0.00 0.00 178.31 174.41 1xpw n ASP 123 N -3.52 1.95 0.08 2.17 2.03 -1.26 -5.04 116.55 112.95 1xpw n ASP 123 Ca -0.02 -2.59 0.12 0.00 0.52 0.00 0.00 54.79 52.82 1xpw n ASP 123 Cb 0.21 0.54 0.02 0.00 -0.72 0.00 0.00 41.12 41.17 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 -0.77 0.74 -3.82 -0.67 8.25 -1.26 -4.74 115.22 112.94 1xpw n HIS 124 Ca -0.09 0.22 -0.36 0.00 -0.26 0.00 0.00 57.72 57.23 1xpw n HIS 124 Cb 0.45 -0.81 -0.12 0.00 1.12 0.00 0.00 29.99 30.64 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 -3.31 3.12 -0.28 4.41 0.40 -1.26 -3.23 117.98 117.83 1xpw s PHE 125 Ca 0.01 -0.27 -0.02 0.00 -0.60 0.00 0.00 56.93 56.04 1xpw s PHE 125 Cb 0.11 -2.21 0.04 0.00 0.51 0.00 0.00 43.02 41.47 1xpw s PHE 125 CO 0.79 -0.23 -0.02 0.00 0.70 0.00 0.00 175.22 176.46 1xpw s ALA 126 N 1.33 2.78 -0.33 5.36 0.00 -1.26 -4.88 121.76 124.76 1xpw s ALA 126 Ca 0.05 -1.62 -0.09 0.00 0.00 0.00 0.00 51.96 50.30 1xpw s ALA 126 Cb -0.15 -1.84 0.00 0.00 0.00 0.00 0.00 23.12 21.13 1xpw s ALA 126 CO 0.04 -1.06 0.16 -1.54 0.00 0.00 0.00 175.76 173.35 1xpw s SER 127 N 1.30 5.54 -0.16 0.00 1.04 -1.26 -3.13 113.70 117.02 1xpw s SER 127 Ca -0.03 -0.68 -0.06 0.00 0.48 0.00 0.00 55.95 55.66 1xpw s SER 127 Cb -0.18 -1.99 -0.04 0.00 0.10 0.00 0.00 66.02 63.91 1xpw s SER 127 CO -0.02 -0.25 0.04 0.54 0.98 0.00 0.00 173.24 174.54 1xpw s VAL 128 N 1.58 4.64 -0.07 5.02 0.11 0.18 -2.01 120.40 129.85 1xpw s VAL 128 Ca 0.04 -0.09 -0.03 0.00 -2.93 0.00 0.00 61.98 58.97 1xpw s VAL 128 Cb -0.18 -3.06 -0.01 0.00 -1.53 0.00 0.00 36.38 31.61 1xpw s VAL 128 CO 0.06 0.50 -0.05 0.45 -3.33 0.00 0.00 175.10 172.73 1xpw h HIS 129 N 6.35 0.00 -2.68 1.54 3.86 -0.95 0.11 115.15 123.37 1xpw h HIS 129 Ca -0.39 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 58.71 1xpw h HIS 129 Cb 1.18 0.00 -0.22 0.00 1.06 0.00 0.00 27.41 29.43 1xpw h HIS 129 CO 0.58 0.00 -0.17 -1.12 0.86 0.00 0.00 177.93 178.08 1xpw s SER 130 N -4.61 -0.41 -0.15 2.45 0.01 -1.13 -4.29 113.70 105.57 1xpw s SER 130 Ca -0.04 0.64 0.02 0.00 1.31 0.00 0.00 55.95 57.88 1xpw s SER 130 Cb 0.01 0.69 0.02 0.00 0.21 0.00 0.00 66.02 66.95 1xpw s SER 130 CO 0.06 -0.30 -0.20 0.68 0.41 0.00 0.00 173.24 173.89 1xpw s VAL 131 N -0.41 1.95 -0.03 3.43 -7.23 -1.13 -1.79 120.40 115.19 1xpw s VAL 131 Ca -0.05 -0.89 0.07 0.00 -1.81 0.00 0.00 61.98 59.30 1xpw s VAL 131 Cb -0.03 -1.75 -0.02 0.00 0.56 0.00 0.00 36.38 35.14 1xpw s VAL 131 CO 0.03 0.53 -0.25 -0.44 -0.31 0.00 0.00 175.10 174.65 1xpw s SER 132 N 1.08 2.97 -0.31 4.85 0.01 -0.56 -4.65 113.70 117.09 1xpw s SER 132 Ca -0.01 -0.47 -0.07 0.00 1.31 0.00 0.00 55.95 56.71 1xpw s SER 132 Cb -0.14 -0.49 0.02 0.00 0.21 0.00 0.00 66.02 65.61 1xpw s SER 132 CO -0.07 0.29 0.10 0.00 0.41 0.00 0.00 173.24 173.97 1xpw s ALA 133 N -0.44 3.09 -0.02 1.44 0.00 -1.26 -0.38 121.76 124.19 1xpw s ALA 133 Ca 0.05 -1.53 -0.14 0.00 0.00 0.00 0.00 51.96 50.34 1xpw s ALA 133 Cb -0.11 -2.23 -0.05 0.00 0.00 0.00 0.00 23.12 20.73 1xpw s ALA 133 CO 0.01 -1.05 0.37 -1.21 0.00 0.00 0.00 175.76 173.88 1xpw s GLU 134 N 1.49 3.85 0.00 0.00 2.02 0.51 0.52 118.70 127.09 1xpw s GLU 134 Ca 0.02 0.34 0.00 0.00 0.02 0.00 0.00 54.97 55.34 1xpw s GLU 134 Cb -0.18 -3.22 0.00 0.00 0.10 0.00 0.00 34.13 30.83 1xpw s GLU 134 CO 0.03 0.70 0.00 0.41 0.02 0.00 0.00 175.26 176.42 1xpw n GLY 135 N 1.85 -0.79 2.77 -1.39 0.00 -1.06 -0.21 105.19 106.35 1xpw n GLY 135 Ca -0.15 -0.20 -0.18 0.00 0.00 0.00 0.00 46.02 45.49 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 0.11 0.10 2.61 -4.23 0.44 -2.84 115.64 107.82 1xpw s THR 136 Ca 0.00 0.19 -0.25 0.00 -1.18 0.00 0.00 61.69 60.44 1xpw s THR 136 Cb 0.00 -0.25 -0.07 0.00 1.34 0.00 0.00 72.50 73.52 1xpw s THR 136 CO 0.00 0.16 0.78 0.54 -0.54 0.00 0.00 174.62 175.55 1xpw s VAL 137 N 1.41 4.56 -0.19 2.29 0.11 -1.26 -0.42 120.40 126.90 1xpw s VAL 137 Ca -0.04 1.67 -0.17 0.00 -2.93 0.00 0.00 61.98 60.51 1xpw s VAL 137 Cb -0.13 -4.13 -0.07 0.00 -1.53 0.00 0.00 36.38 30.52 1xpw s VAL 137 CO -0.03 0.44 -0.35 0.52 -3.33 0.00 0.00 175.10 172.35 1xpw n VAL 138 N 2.26 1.50 -3.96 2.04 0.31 -0.26 -4.90 118.33 115.31 1xpw n VAL 138 Ca -0.04 0.05 -0.30 0.00 -0.01 0.00 0.00 64.34 64.04 1xpw n VAL 138 Cb 0.49 -2.26 -0.16 0.00 -0.91 0.00 0.00 33.84 31.01 1xpw n VAL 138 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1xpw s SER 139 N -6.18 3.81 -0.94 4.52 0.01 -0.53 -5.01 113.70 109.40 1xpw s SER 139 Ca -0.30 -1.14 -0.21 0.00 1.31 0.00 0.00 55.95 55.61 1xpw s SER 139 Cb 0.06 -1.22 0.10 0.00 0.21 0.00 0.00 66.02 65.16 1xpw s SER 139 CO 0.43 -0.21 1.23 0.20 0.41 0.00 0.00 173.24 175.30 1xpw s ASN 140 N 1.37 6.54 -0.85 2.44 0.01 -1.26 -1.19 114.94 122.00 1xpw s ASN 140 Ca -0.05 -1.72 -0.04 0.00 -0.71 0.00 0.00 52.86 50.34 1xpw s ASN 140 Cb -0.18 -2.46 0.17 0.00 0.41 0.00 0.00 41.25 39.18 1xpw s ASN 140 CO -0.06 -1.26 2.40 -0.11 -1.51 0.00 0.00 177.10 176.55 1xpw n LEU 141 N 7.51 7.23 -4.36 0.60 7.94 -1.26 -4.90 117.00 129.76 1xpw n LEU 141 Ca 0.24 -4.63 -0.40 0.00 -1.11 0.00 0.00 56.01 50.12 1xpw n LEU 141 Cb 0.49 -1.23 -0.11 0.00 0.53 0.00 0.00 43.42 43.10 1xpw n LEU 141 CO 0.57 1.88 -0.17 -0.44 -1.11 0.00 0.00 177.39 178.12 1xpw s SER 142 N -0.14 5.69 0.00 1.96 0.01 -1.26 -4.68 113.70 115.28 1xpw s SER 142 Ca 0.53 -1.03 0.00 0.00 1.31 0.00 0.00 55.95 56.76 1xpw s SER 142 Cb 0.31 -2.01 0.00 0.00 0.21 0.00 0.00 66.02 64.54 1xpw s SER 142 CO -0.21 -0.39 0.00 -1.20 0.41 0.00 0.00 173.24 171.85