#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xp3 s LYS 3 N 0.00 3.19 -0.05 1.96 2.20 -1.26 -4.85 119.74 120.93 1xp3 s LYS 3 Ca 0.00 -0.26 -0.04 0.00 -0.36 0.00 0.00 55.97 55.31 1xp3 s LYS 3 Cb 0.00 -4.26 0.02 0.00 -1.51 0.00 0.00 37.83 32.08 1xp3 s LYS 3 CO 0.00 -2.18 0.13 -1.50 -0.36 0.00 0.00 175.35 171.44 1xp3 s ILE 4 N 5.83 -0.01 0.00 5.43 2.07 -1.26 -0.80 121.20 132.45 1xp3 s ILE 4 Ca 0.37 0.05 0.00 0.00 -1.41 0.00 0.00 60.65 59.66 1xp3 s ILE 4 Cb -0.08 -0.20 0.00 0.00 0.13 0.00 0.00 42.46 42.32 1xp3 s ILE 4 CO 0.14 0.02 0.00 0.61 -1.91 0.00 0.00 174.94 173.80 1xp3 n GLY 5 N 3.36 3.54 3.62 1.50 0.00 0.08 -1.67 105.19 115.62 1xp3 n GLY 5 Ca -0.16 -0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.52 1xp3 n GLY 5 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xp3 s SER 6 N 2.00 -0.27 0.11 1.61 1.04 -1.26 -0.90 113.70 116.03 1xp3 s SER 6 Ca 0.00 -0.53 -0.35 0.00 0.48 0.00 0.00 55.95 55.56 1xp3 s SER 6 Cb 0.00 0.63 -0.14 0.00 0.10 0.00 0.00 66.02 66.61 1xp3 s SER 6 CO 0.00 -1.14 1.57 1.57 0.98 0.00 0.00 173.24 176.21 1xp3 n HIS 7 N -0.39 2.14 -4.35 5.02 -0.00 -0.92 -0.48 115.22 116.24 1xp3 n HIS 7 Ca -0.08 0.32 -0.18 0.00 -0.00 0.00 0.00 57.72 57.78 1xp3 n HIS 7 Cb 0.62 -2.51 -0.10 0.00 -0.00 0.00 0.00 29.99 27.99 1xp3 n HIS 7 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 1xp3 s VAL 8 N 1.19 0.68 -0.03 3.57 -7.23 0.71 -4.86 120.40 114.41 1xp3 s VAL 8 Ca 0.82 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.99 1xp3 s VAL 8 Cb -0.74 -2.65 -0.03 0.00 0.56 0.00 0.00 36.38 33.51 1xp3 s VAL 8 CO 0.41 0.00 0.01 -0.44 -0.31 0.00 0.00 175.10 174.77 1xp3 s SER 9 N -3.37 5.19 -0.41 4.85 0.01 -1.26 -4.47 113.70 114.24 1xp3 s SER 9 Ca 0.37 0.06 -0.18 0.00 1.31 0.00 0.00 55.95 57.51 1xp3 s SER 9 Cb 0.08 -1.40 0.02 0.00 0.21 0.00 0.00 66.02 64.92 1xp3 s SER 9 CO 0.14 0.32 0.48 -0.04 0.41 0.00 0.00 173.24 174.55 1xp3 s MET 10 N -1.31 3.24 0.10 12.44 -1.94 -1.26 -2.17 119.30 128.40 1xp3 s MET 10 Ca 0.17 -0.58 0.01 0.00 -1.71 0.00 0.00 55.69 53.59 1xp3 s MET 10 Cb -0.11 -3.93 -0.22 0.00 2.01 0.00 0.00 34.83 32.58 1xp3 s MET 10 CO 0.07 -0.82 1.23 0.66 -0.01 0.00 0.00 175.02 176.15 1xp3 h SER 11 N 8.70 0.23 -4.01 3.03 4.64 -1.93 -3.46 113.55 120.74 1xp3 h SER 11 Ca -0.27 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1xp3 h SER 11 Cb 1.11 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1xp3 h SER 11 CO 0.80 1.16 -0.97 0.61 -0.87 0.00 0.00 176.83 177.56 1xp3 n GLY 12 N 1.38 -4.55 0.08 -0.77 0.00 -1.26 -4.80 105.19 95.26 1xp3 n GLY 12 Ca -0.04 -0.72 0.13 0.00 0.00 0.00 0.00 46.02 45.38 1xp3 n GLY 12 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1xp3 n LYS 13 N -1.40 0.25 -0.20 1.61 2.85 -1.26 -4.57 118.16 115.44 1xp3 n LYS 13 Ca 0.00 0.15 0.01 0.00 -1.05 0.00 0.00 58.31 57.42 1xp3 n LYS 13 Cb 0.14 -1.74 0.11 0.00 -0.65 0.00 0.00 35.03 32.89 1xp3 n LYS 13 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 1xp3 h LYS 14 N 0.00 0.20 0.00 -1.58 1.57 -1.93 -3.44 116.57 111.40 1xp3 h LYS 14 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1xp3 h LYS 14 Cb 0.72 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.98 1xp3 h LYS 14 CO 0.00 0.13 0.00 -0.12 -0.57 0.00 0.00 179.45 178.89 1xp3 n MET 15 N -5.18 0.00 0.02 3.15 1.56 -1.26 -2.14 117.12 113.27 1xp3 n MET 15 Ca 0.09 0.00 -0.02 0.00 -0.27 0.00 0.00 57.70 57.49 1xp3 n MET 15 Cb 0.34 0.00 0.23 0.00 2.15 0.00 0.00 33.22 35.93 1xp3 n MET 15 CO 0.00 0.00 0.00 1.25 -0.73 0.00 0.00 175.97 176.49 1xp3 h LEU 16 N 0.00 0.46 -0.86 -0.89 6.46 -1.66 -1.61 115.31 117.22 1xp3 h LEU 16 Ca 0.00 -0.14 -0.02 0.00 -0.12 0.00 0.00 57.88 57.60 1xp3 h LEU 16 Cb 0.00 -0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 39.76 1xp3 h LEU 16 CO 0.00 0.68 0.47 0.25 -0.62 0.00 0.00 178.44 179.22 1xp3 h LEU 17 N 0.42 1.08 -0.23 2.25 6.46 -1.62 -2.02 115.31 121.67 1xp3 h LEU 17 Ca 0.07 -0.10 -0.01 0.00 -0.12 0.00 0.00 57.88 57.72 1xp3 h LEU 17 Cb 0.60 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 40.24 1xp3 h LEU 17 CO 0.04 0.87 0.11 0.00 -0.62 0.00 0.00 178.44 178.84 1xp3 h ALA 18 N 1.25 0.29 -0.51 1.25 0.00 -1.47 -0.90 119.26 119.17 1xp3 h ALA 18 Ca 0.30 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 55.22 1xp3 h ALA 18 Cb 0.04 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.66 1xp3 h ALA 18 CO -0.05 -0.15 0.05 0.00 0.00 0.00 0.00 179.25 179.11 1xp3 h ALA 19 N 0.97 0.54 -0.26 0.00 0.00 -0.89 -1.84 119.26 117.77 1xp3 h ALA 19 Ca 0.08 0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.94 1xp3 h ALA 19 Cb 0.12 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1xp3 h ALA 19 CO -0.01 -0.35 -0.56 1.03 0.00 0.00 0.00 179.25 179.36 1xp3 h SER 20 N 0.17 0.91 -0.50 0.00 0.87 -1.15 -2.33 113.55 111.52 1xp3 h SER 20 Ca 0.26 -0.49 0.01 0.00 -1.23 0.00 0.00 61.79 60.34 1xp3 h SER 20 Cb 0.38 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 62.05 1xp3 h SER 20 CO -0.38 1.28 0.32 -0.33 -0.53 0.00 0.00 176.83 177.18 1xp3 h GLU 21 N 0.62 0.63 -0.71 2.24 5.08 -1.04 -0.58 114.58 120.82 1xp3 h GLU 21 Ca 0.01 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1xp3 h GLU 21 Cb 1.16 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.23 1xp3 h GLU 21 CO 0.12 0.42 0.37 1.49 -1.00 0.00 0.00 179.01 180.41 1xp3 h GLU 22 N 0.65 0.99 -0.12 2.33 4.81 -1.15 0.13 114.58 122.22 1xp3 h GLU 22 Ca 0.19 -0.12 -0.19 0.00 -0.13 0.00 0.00 59.36 59.12 1xp3 h GLU 22 Cb -0.04 -0.19 0.01 0.00 0.63 0.00 0.00 28.75 29.16 1xp3 h GLU 22 CO -0.06 0.74 -0.67 0.00 -0.73 0.00 0.00 179.01 178.29 1xp3 h ALA 23 N 1.42 0.24 -0.44 2.92 0.00 -1.14 -2.47 119.26 119.78 1xp3 h ALA 23 Ca 0.25 -0.56 0.02 0.00 0.00 0.00 0.00 54.91 54.62 1xp3 h ALA 23 Cb 0.05 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1xp3 h ALA 23 CO -0.04 0.54 0.26 0.28 0.00 0.00 0.00 179.25 180.28 1xp3 h VAL 24 N 0.32 1.03 0.00 0.00 2.07 -0.85 0.01 116.25 118.83 1xp3 h VAL 24 Ca -0.05 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1xp3 h VAL 24 Cb 1.31 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1xp3 h VAL 24 CO 0.14 0.09 0.00 -1.54 0.02 0.00 0.00 177.57 176.28 1xp3 n SER 25 N -4.85 0.50 -0.96 0.57 3.41 0.01 -0.15 113.62 112.15 1xp3 n SER 25 Ca 0.02 0.69 0.12 0.00 -0.26 0.00 0.00 58.87 59.45 1xp3 n SER 25 Cb 0.07 -0.77 0.21 0.00 -0.26 0.00 0.00 64.21 63.46 1xp3 n SER 25 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1xp3 n TYR 26 N -2.13 0.21 -3.26 7.33 4.01 -0.71 -4.88 117.16 117.73 1xp3 n TYR 26 Ca -0.00 -0.10 -0.17 0.00 -0.16 0.00 0.00 57.90 57.47 1xp3 n TYR 26 Cb 0.09 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.18 1xp3 n TYR 26 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xp3 n GLY 27 N 1.38 -0.12 3.83 2.72 0.00 0.78 -4.14 105.19 109.64 1xp3 n GLY 27 Ca 0.17 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 1xp3 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xp3 s ALA 28 N -3.23 3.76 -0.21 4.61 0.00 -0.09 -5.00 121.76 121.60 1xp3 s ALA 28 Ca 0.38 -0.44 0.22 0.00 0.00 0.00 0.00 51.96 52.12 1xp3 s ALA 28 Cb -0.17 -2.21 -0.04 0.00 0.00 0.00 0.00 23.12 20.70 1xp3 s ALA 28 CO 0.52 0.47 0.98 0.25 0.00 0.00 0.00 175.76 177.98 1xp3 n THR 29 N 2.21 0.67 -4.32 0.00 -2.24 -0.67 -4.51 114.28 105.42 1xp3 n THR 29 Ca -0.16 -0.57 -0.18 0.00 -2.27 0.00 0.00 64.05 60.87 1xp3 n THR 29 Cb 0.53 -0.38 -0.09 0.00 -2.10 0.00 0.00 70.33 68.30 1xp3 n THR 29 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1xp3 s THR 30 N -3.31 0.28 0.31 4.28 -1.32 -1.21 -4.04 115.64 110.63 1xp3 s THR 30 Ca -0.01 -2.00 -0.13 0.00 -1.21 0.00 0.00 61.69 58.34 1xp3 s THR 30 Cb 0.10 -2.51 0.02 0.00 -1.51 0.00 0.00 72.50 68.59 1xp3 s THR 30 CO 0.80 0.00 0.61 0.72 -2.21 0.00 0.00 174.62 174.53 1xp3 s PHE 31 N -3.64 0.35 -0.03 9.09 -0.12 -1.26 -3.86 117.98 118.52 1xp3 s PHE 31 Ca 0.36 -0.79 0.05 0.00 -0.05 0.00 0.00 56.93 56.50 1xp3 s PHE 31 Cb 0.05 0.40 -0.01 0.00 -0.63 0.00 0.00 43.02 42.83 1xp3 s PHE 31 CO 0.18 -1.23 -0.16 1.41 -0.05 0.00 0.00 175.22 175.37 1xp3 s MET 32 N -3.33 1.50 0.10 1.99 -2.45 0.37 -0.52 119.30 116.97 1xp3 s MET 32 Ca 0.20 -0.58 0.07 0.00 -1.25 0.00 0.00 55.69 54.14 1xp3 s MET 32 Cb -0.03 -1.38 -0.03 0.00 1.25 0.00 0.00 34.83 34.64 1xp3 s MET 32 CO 0.12 0.29 -0.18 0.96 1.05 0.00 0.00 175.02 177.26 1xp3 s ILE 33 N -0.16 1.52 0.43 10.11 -4.36 -0.48 -0.21 121.20 128.04 1xp3 s ILE 33 Ca 0.01 -1.55 -0.08 0.00 -0.26 0.00 0.00 60.65 58.77 1xp3 s ILE 33 Cb -0.09 -1.46 -0.05 0.00 1.25 0.00 0.00 42.46 42.11 1xp3 s ILE 33 CO 0.01 -0.18 0.77 -0.31 0.24 0.00 0.00 174.94 175.46 1xp3 s TYR 34 N -1.44 3.51 -0.41 1.37 1.51 -1.26 -1.14 117.35 119.48 1xp3 s TYR 34 Ca 0.06 0.95 0.05 0.00 -1.01 0.00 0.00 57.07 57.12 1xp3 s TYR 34 Cb -0.09 -2.39 0.40 0.00 -0.11 0.00 0.00 41.96 39.77 1xp3 s TYR 34 CO 0.04 -0.16 1.33 0.25 -1.11 0.00 0.00 175.55 175.90 1xp3 n THR 35 N -1.63 1.84 0.00 -0.71 -2.24 -1.26 -4.74 114.28 105.54 1xp3 n THR 35 Ca 0.02 -0.89 0.00 0.00 -2.27 0.00 0.00 64.05 60.91 1xp3 n THR 35 Cb 0.54 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 1xp3 n THR 35 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xp3 n GLY 36 N -0.03 0.35 3.76 3.38 0.00 -1.26 -4.54 105.19 106.84 1xp3 n GLY 36 Ca 0.24 -1.50 -0.41 0.00 0.00 0.00 0.00 46.02 44.35 1xp3 n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xp3 s ALA 37 N -1.73 3.59 0.37 4.61 0.00 -1.26 -4.92 121.76 122.43 1xp3 s ALA 37 Ca 0.00 1.41 0.26 0.00 0.00 0.00 0.00 51.96 53.62 1xp3 s ALA 37 Cb 0.00 -3.56 1.33 0.00 0.00 0.00 0.00 23.12 20.89 1xp3 s ALA 37 CO 0.00 -0.83 2.02 -1.35 0.00 0.00 0.00 175.76 175.61 1xp3 h PRO 38 N 4.03 0.00 -0.02 0.00 0.11 -1.96 -3.16 132.00 131.01 1xp3 h PRO 38 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1xp3 h PRO 38 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1xp3 h PRO 38 CO 0.71 0.15 -0.25 0.00 -0.21 0.00 0.00 178.00 178.40 1xp3 n GLN 39 N -3.64 1.60 -0.31 1.05 0.00 -1.26 -1.24 117.38 113.58 1xp3 n GLN 39 Ca -0.02 -1.27 0.00 0.00 0.00 0.00 0.00 57.00 55.72 1xp3 n GLN 39 Cb 0.27 -1.47 0.00 0.00 0.00 0.00 0.00 30.24 29.04 1xp3 n GLN 39 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 1xp3 n ASN 40 N 0.41 0.00 0.07 2.61 2.04 -1.19 -4.75 115.26 114.44 1xp3 n ASN 40 Ca 0.12 -0.18 0.00 0.00 -0.44 0.00 0.00 54.58 54.08 1xp3 n ASN 40 Cb 0.49 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.74 1xp3 n ASN 40 CO 0.00 0.00 0.00 1.07 -0.44 0.00 0.00 177.26 177.89 1xp3 n THR 41 N 0.00 0.33 -2.94 5.53 5.66 -1.26 -4.65 114.28 116.94 1xp3 n THR 41 Ca 0.00 0.11 0.00 0.00 -3.05 0.00 0.00 64.05 61.11 1xp3 n THR 41 Cb 0.00 -0.95 0.00 0.00 -1.55 0.00 0.00 70.33 67.83 1xp3 n THR 41 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 1xp3 n ARG 42 N -3.20 -0.67 -3.65 1.09 3.00 -1.26 -4.97 116.66 106.99 1xp3 n ARG 42 Ca 0.00 0.91 -0.15 0.00 -0.00 0.00 0.00 57.85 58.61 1xp3 n ARG 42 Cb 0.08 -0.84 -0.08 0.00 0.00 0.00 0.00 32.46 31.62 1xp3 n ARG 42 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1xp3 s ARG 43 N -0.51 0.77 0.50 -0.14 1.81 -1.26 -4.43 118.95 115.68 1xp3 s ARG 43 Ca 0.00 0.43 -0.10 0.00 -1.72 0.00 0.00 55.73 54.34 1xp3 s ARG 43 Cb 0.00 0.37 -0.05 0.00 -0.45 0.00 0.00 34.95 34.82 1xp3 s ARG 43 CO 0.00 -0.17 0.86 0.15 -0.68 0.00 0.00 175.30 175.46 1xp3 s LYS 44 N -0.47 3.68 0.87 3.54 1.02 -1.26 -5.04 119.74 122.07 1xp3 s LYS 44 Ca -0.06 0.50 -0.11 0.00 0.02 0.00 0.00 55.97 56.32 1xp3 s LYS 44 Cb -0.03 -2.28 0.11 0.00 -0.52 0.00 0.00 37.83 35.11 1xp3 s LYS 44 CO 0.04 -0.25 1.09 -2.14 -0.92 0.00 0.00 175.35 173.17 1xp3 s PRO 45 N -4.50 1.51 0.35 -1.68 0.02 -1.26 -4.89 135.00 124.55 1xp3 s PRO 45 Ca 0.52 0.79 0.07 0.00 0.02 0.00 0.00 61.00 62.39 1xp3 s PRO 45 Cb -0.10 -1.84 0.75 0.00 0.02 0.00 0.00 34.50 33.33 1xp3 s PRO 45 CO 0.41 -2.06 1.90 0.82 -0.33 0.00 0.00 177.00 177.75 1xp3 h ILE 46 N -1.41 0.93 -0.31 2.83 2.04 -1.99 -1.50 117.51 118.09 1xp3 h ILE 46 Ca -0.49 -0.26 0.04 0.00 1.00 0.00 0.00 64.86 65.15 1xp3 h ILE 46 Cb 1.28 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 1xp3 h ILE 46 CO 0.56 0.14 0.21 -0.33 0.00 0.00 0.00 178.15 178.73 1xp3 h GLU 47 N 0.76 0.25 -0.24 2.37 3.07 -2.03 -2.50 114.58 116.27 1xp3 h GLU 47 Ca 0.40 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.24 1xp3 h GLU 47 Cb 0.50 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.36 1xp3 h GLU 47 CO -0.16 0.17 0.00 0.39 -1.40 0.00 0.00 179.01 178.00 1xp3 n GLU 48 N -4.49 1.79 0.00 2.33 1.02 -0.56 -4.15 120.64 116.58 1xp3 n GLU 48 Ca 0.03 -1.20 0.15 0.00 -0.02 0.00 0.00 57.16 56.12 1xp3 n GLU 48 Cb 0.20 -1.36 0.64 0.00 -0.02 0.00 0.00 31.44 30.90 1xp3 n GLU 48 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1xp3 n LEU 49 N 0.43 1.03 -3.77 -4.62 4.77 -0.94 -4.82 117.00 109.10 1xp3 n LEU 49 Ca 0.15 -0.34 -0.25 0.00 -0.03 0.00 0.00 56.01 55.55 1xp3 n LEU 49 Cb 0.33 -0.01 0.04 0.00 -2.33 0.00 0.00 43.42 41.45 1xp3 n LEU 49 CO 0.12 0.17 0.03 -3.20 -1.33 0.00 0.00 177.39 173.18 1xp3 n ASN 50 N -0.22 -3.03 -0.09 -1.43 4.05 -1.26 -2.23 115.26 111.05 1xp3 n ASN 50 Ca 0.20 -0.77 -0.13 0.00 0.45 0.00 0.00 54.58 54.32 1xp3 n ASN 50 Cb 0.28 -4.11 -0.04 0.00 1.23 0.00 0.00 39.78 37.14 1xp3 n ASN 50 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 177.26 174.61 1xp3 h ILE 51 N -2.02 1.30 -0.06 -1.44 2.04 -1.89 -1.93 117.51 113.51 1xp3 h ILE 51 Ca -0.60 -1.45 0.04 0.00 1.00 0.00 0.00 64.86 63.85 1xp3 h ILE 51 Cb 1.37 1.57 -0.05 0.00 -0.74 0.00 0.00 36.82 38.97 1xp3 h ILE 51 CO 0.60 0.47 -0.21 -0.08 0.00 0.00 0.00 178.15 178.93 1xp3 h GLU 52 N 0.46 -0.29 -0.56 2.37 4.81 -1.96 0.97 114.58 120.37 1xp3 h GLU 52 Ca 0.05 0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.25 1xp3 h GLU 52 Cb 0.86 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.28 1xp3 h GLU 52 CO 0.07 -0.19 0.17 0.00 -0.73 0.00 0.00 179.01 178.33 1xp3 h ALA 53 N 0.64 1.23 -0.04 2.92 0.00 -1.94 -0.21 119.26 121.86 1xp3 h ALA 53 Ca 0.08 -0.19 -0.20 0.00 0.00 0.00 0.00 54.91 54.60 1xp3 h ALA 53 Cb 0.41 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1xp3 h ALA 53 CO -0.23 0.54 -0.81 0.78 0.00 0.00 0.00 179.25 179.53 1xp3 h GLY 54 N 0.97 0.41 1.29 0.00 0.00 -1.01 -2.05 103.07 102.68 1xp3 h GLY 54 Ca 0.19 -0.63 -0.15 0.00 0.00 0.00 0.00 47.33 46.74 1xp3 h GLY 54 CO -0.01 0.56 -0.39 3.21 0.00 0.00 0.00 176.54 179.91 1xp3 h ARG 55 N 0.23 0.78 -0.29 4.80 3.08 -0.53 -1.68 114.38 120.77 1xp3 h ARG 55 Ca -0.04 -0.40 0.01 0.00 0.07 0.00 0.00 59.98 59.62 1xp3 h ARG 55 Cb 1.40 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.44 1xp3 h ARG 55 CO 0.14 1.03 0.17 -0.22 -1.07 0.00 0.00 179.97 180.01 1xp3 h LYS 56 N 0.64 0.33 -0.24 0.04 3.64 -0.92 -1.42 116.57 118.64 1xp3 h LYS 56 Ca 0.05 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.29 1xp3 h LYS 56 Cb 0.94 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.67 1xp3 h LYS 56 CO 0.09 0.22 -0.39 1.25 -2.27 0.00 0.00 179.45 178.34 1xp3 h HIS 57 N 0.34 0.65 -0.86 1.91 2.76 -1.25 -2.03 115.15 116.66 1xp3 h HIS 57 Ca 0.12 -0.18 -0.03 0.00 -2.20 0.00 0.00 60.37 58.07 1xp3 h HIS 57 Cb 0.01 -0.14 -0.04 0.00 1.55 0.00 0.00 27.41 28.79 1xp3 h HIS 57 CO -0.08 0.86 0.42 0.52 -1.30 0.00 0.00 177.93 178.35 1xp3 h MET 58 N 0.45 1.23 0.32 5.26 2.86 -1.22 -2.20 114.93 121.63 1xp3 h MET 58 Ca 0.04 -0.18 -0.01 0.00 -2.06 0.00 0.00 59.70 57.50 1xp3 h MET 58 Cb 0.89 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.31 1xp3 h MET 58 CO 0.08 0.94 -0.22 0.93 1.06 0.00 0.00 176.91 179.69 1xp3 h GLU 59 N 1.22 -0.51 -0.30 1.72 5.08 -0.94 0.27 114.58 121.13 1xp3 h GLU 59 Ca 0.30 0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.76 1xp3 h GLU 59 Cb 0.11 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1xp3 h GLU 59 CO -0.04 -0.34 0.21 1.96 -1.00 0.00 0.00 179.01 179.80 1xp3 h GLN 60 N -0.53 0.08 -0.19 2.33 4.20 -1.28 -2.06 115.11 117.65 1xp3 h GLN 60 Ca -0.03 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.59 1xp3 h GLN 60 Cb 0.46 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.16 1xp3 h GLN 60 CO 0.01 0.06 -0.22 0.09 -0.67 0.00 0.00 178.83 178.10 1xp3 n ASN 61 N -4.47 2.28 -0.18 1.46 3.02 -0.84 -4.99 115.26 111.54 1xp3 n ASN 61 Ca 0.04 -3.72 -0.02 0.00 -0.03 0.00 0.00 54.58 50.84 1xp3 n ASN 61 Cb 0.31 -0.58 -0.01 0.00 -0.61 0.00 0.00 39.78 38.90 1xp3 n ASN 61 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xp3 n GLY 62 N -1.11 0.52 3.60 7.41 0.00 -0.71 -4.98 105.19 109.92 1xp3 n GLY 62 Ca 0.26 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1xp3 n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xp3 s ILE 63 N -1.84 4.92 -0.18 -0.61 1.01 0.88 -4.93 121.20 120.45 1xp3 s ILE 63 Ca 0.00 0.90 0.13 0.00 0.00 0.00 0.00 60.65 61.68 1xp3 s ILE 63 Cb 0.00 -4.02 -0.20 0.00 0.01 0.00 0.00 42.46 38.25 1xp3 s ILE 63 CO 0.00 -0.15 0.01 -0.62 0.00 0.00 0.00 174.94 174.18 1xp3 n GLU 64 N 5.92 1.02 -4.28 2.79 1.02 -1.26 -4.06 120.64 121.79 1xp3 n GLU 64 Ca -0.00 0.02 -0.19 0.00 -0.02 0.00 0.00 57.16 56.96 1xp3 n GLU 64 Cb 0.49 -1.45 -0.13 0.00 -0.02 0.00 0.00 31.44 30.33 1xp3 n GLU 64 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1xp3 s GLU 65 N -2.43 0.87 0.09 3.49 2.12 -1.26 -4.87 118.70 116.72 1xp3 s GLU 65 Ca -0.13 -0.81 -0.00 0.00 0.36 0.00 0.00 54.97 54.39 1xp3 s GLU 65 Cb 0.06 -0.87 -0.04 0.00 0.26 0.00 0.00 34.13 33.54 1xp3 s GLU 65 CO 0.68 0.21 -0.01 0.96 -0.54 0.00 0.00 175.26 176.56 1xp3 s ILE 66 N -0.99 0.33 0.08 -3.70 -4.36 -0.63 -4.03 121.20 107.91 1xp3 s ILE 66 Ca -0.00 -1.88 0.07 0.00 -0.26 0.00 0.00 60.65 58.58 1xp3 s ILE 66 Cb -0.09 -1.76 -0.04 0.00 1.25 0.00 0.00 42.46 41.83 1xp3 s ILE 66 CO 0.02 -0.77 -0.11 -0.63 0.24 0.00 0.00 174.94 173.68 1xp3 s ILE 67 N -3.87 3.29 -0.05 8.37 -1.09 0.32 -4.09 121.20 124.09 1xp3 s ILE 67 Ca 0.14 -1.21 0.03 0.00 -2.23 0.00 0.00 60.65 57.38 1xp3 s ILE 67 Cb 0.07 -2.51 -0.03 0.00 -1.58 0.00 0.00 42.46 38.42 1xp3 s ILE 67 CO -0.04 0.18 -0.13 -0.63 -1.23 0.00 0.00 174.94 173.08 1xp3 s ILE 68 N -1.15 3.14 -0.13 2.92 1.09 -0.58 -1.39 121.20 125.11 1xp3 s ILE 68 Ca 0.20 -0.70 0.02 0.00 -1.10 0.00 0.00 60.65 59.07 1xp3 s ILE 68 Cb -0.11 -2.23 0.00 0.00 -1.06 0.00 0.00 42.46 39.06 1xp3 s ILE 68 CO 0.12 0.59 -0.20 -2.28 -0.10 0.00 0.00 174.94 173.06 1xp3 s HIS 69 N -0.74 2.67 0.62 3.97 2.46 -0.29 0.36 115.29 124.33 1xp3 s HIS 69 Ca 0.12 -1.14 -0.16 0.00 0.47 0.00 0.00 55.06 54.35 1xp3 s HIS 69 Cb -0.11 -1.80 -0.02 0.00 -0.13 0.00 0.00 32.58 30.52 1xp3 s HIS 69 CO 0.01 -0.50 1.10 0.00 -2.47 0.00 0.00 174.74 172.88 1xp3 s ALA 70 N 0.64 2.59 0.63 1.58 0.00 0.77 -4.36 121.76 123.61 1xp3 s ALA 70 Ca -0.10 0.54 -0.18 0.00 0.00 0.00 0.00 51.96 52.21 1xp3 s ALA 70 Cb -0.16 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 19.64 1xp3 s ALA 70 CO 0.02 -1.04 1.23 -1.25 0.00 0.00 0.00 175.76 174.72 1xp3 s PRO 71 N -3.96 2.75 0.00 0.00 0.04 -1.26 -4.86 135.00 127.71 1xp3 s PRO 71 Ca 0.67 1.87 0.27 0.00 0.04 0.00 0.00 61.00 63.85 1xp3 s PRO 71 Cb -0.19 -1.89 1.22 0.00 0.04 0.00 0.00 34.50 33.67 1xp3 s PRO 71 CO 0.38 -1.39 1.83 2.48 0.04 0.00 0.00 177.00 180.34 1xp3 n TYR 72 N -1.83 0.04 1.01 0.56 0.18 -0.38 -3.07 117.16 113.67 1xp3 n TYR 72 Ca 0.14 -0.02 0.14 0.00 1.88 0.00 0.00 57.90 60.04 1xp3 n TYR 72 Cb 0.49 0.00 0.59 0.00 -0.38 0.00 0.00 39.34 40.05 1xp3 n TYR 72 CO 0.00 0.00 0.00 0.44 -2.08 0.00 0.00 176.86 175.22 1xp3 n ILE 73 N -0.19 0.00 -1.91 -3.48 -6.64 -1.26 -4.82 119.36 101.06 1xp3 n ILE 73 Ca 0.19 -0.00 -0.42 0.00 -1.77 0.00 0.00 62.75 60.75 1xp3 n ILE 73 Cb 0.26 -0.44 -0.03 0.00 -1.44 0.00 0.00 39.64 38.00 1xp3 n ILE 73 CO 0.00 0.00 0.00 -0.63 -1.77 0.00 0.00 176.55 174.15 1xp3 s ILE 74 N -2.99 3.42 -0.40 7.28 -1.09 -1.17 -4.94 121.20 121.30 1xp3 s ILE 74 Ca 0.14 0.50 0.02 0.00 -2.23 0.00 0.00 60.65 59.08 1xp3 s ILE 74 Cb 0.19 -3.33 0.15 0.00 -1.58 0.00 0.00 42.46 37.89 1xp3 s ILE 74 CO 0.54 -0.05 0.26 0.21 -1.23 0.00 0.00 174.94 174.68 1xp3 s ASN 75 N 3.72 2.82 0.00 3.58 2.47 -1.26 -4.76 114.94 121.50 1xp3 s ASN 75 Ca 0.78 -2.58 0.05 0.00 0.42 0.00 0.00 52.86 51.53 1xp3 s ASN 75 Cb -0.36 -0.60 0.27 0.00 -1.45 0.00 0.00 41.25 39.11 1xp3 s ASN 75 CO 0.33 -0.26 1.18 1.33 -3.72 0.00 0.00 177.10 175.96 1xp3 n VAL 76 N 3.54 0.01 1.22 -5.21 0.24 -1.26 -2.26 118.33 114.60 1xp3 n VAL 76 Ca 0.16 -0.01 0.13 0.00 -2.04 0.00 0.00 64.34 62.58 1xp3 n VAL 76 Cb 0.39 -0.07 0.37 0.00 -1.47 0.00 0.00 33.84 33.07 1xp3 n VAL 76 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xp3 n GLY 77 N 0.58 -0.71 3.69 7.63 0.00 -1.26 -2.58 105.19 112.54 1xp3 n GLY 77 Ca 0.04 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 1xp3 n GLY 77 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xp3 s ASN 78 N -2.56 6.79 0.00 1.61 3.84 -0.96 -4.61 114.94 119.05 1xp3 s ASN 78 Ca 0.23 2.23 0.12 0.00 0.21 0.00 0.00 52.86 55.64 1xp3 s ASN 78 Cb 0.19 -2.56 0.02 0.00 -0.55 0.00 0.00 41.25 38.35 1xp3 s ASN 78 CO 0.54 -0.75 0.73 0.35 -2.79 0.00 0.00 177.10 175.18 1xp3 n THR 79 N 4.57 0.00 0.14 -5.21 -2.24 -1.26 -4.63 114.28 105.64 1xp3 n THR 79 Ca 0.13 -0.41 0.03 0.00 -2.27 0.00 0.00 64.05 61.53 1xp3 n THR 79 Cb 0.43 1.16 -0.04 0.00 -2.10 0.00 0.00 70.33 69.78 1xp3 n THR 79 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1xp3 n THR 80 N 0.00 0.00 -3.80 4.28 -2.24 -1.26 -4.83 114.28 106.43 1xp3 n THR 80 Ca 0.05 -0.26 -0.30 0.00 -2.27 0.00 0.00 64.05 61.28 1xp3 n THR 80 Cb 0.25 0.70 -0.14 0.00 -2.10 0.00 0.00 70.33 69.04 1xp3 n THR 80 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1xp3 s LYS 81 N -1.95 1.36 0.57 -0.78 1.02 -1.26 -4.98 119.74 113.72 1xp3 s LYS 81 Ca 0.00 -1.97 0.30 0.00 0.02 0.00 0.00 55.97 54.32 1xp3 s LYS 81 Cb 0.04 -2.59 1.44 0.00 -0.52 0.00 0.00 37.83 36.20 1xp3 s LYS 81 CO 0.24 -1.09 1.85 -1.35 -0.92 0.00 0.00 175.35 174.07 1xp3 h PRO 82 N 7.01 0.00 0.00 -1.68 0.11 -1.90 -1.88 132.00 133.66 1xp3 h PRO 82 Ca -0.05 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.03 1xp3 h PRO 82 Cb 0.95 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 1xp3 h PRO 82 CO 0.53 0.00 -0.61 0.93 -0.21 0.00 0.00 178.00 178.63 1xp3 h GLU 83 N 0.00 0.00 -0.09 1.05 4.39 -1.98 -2.28 114.58 115.67 1xp3 h GLU 83 Ca 0.32 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.90 1xp3 h GLU 83 Cb 1.52 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.18 1xp3 h GLU 83 CO -0.00 0.09 -0.41 1.15 -1.16 0.00 0.00 179.01 178.69 1xp3 h THR 84 N 0.00 1.39 -0.28 1.13 2.02 -1.72 0.18 112.91 115.63 1xp3 h THR 84 Ca -0.02 -1.76 0.05 0.00 0.77 0.00 0.00 66.41 65.45 1xp3 h THR 84 Cb 1.11 2.23 -0.04 0.00 -1.74 0.00 0.00 68.15 69.71 1xp3 h THR 84 CO 0.01 0.52 0.01 0.15 0.37 0.00 0.00 175.52 176.58 1xp3 h PHE 85 N 0.00 0.01 -0.30 3.16 3.57 -1.58 -1.82 116.94 119.97 1xp3 h PHE 85 Ca -0.02 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.40 1xp3 h PHE 85 Cb 1.05 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.81 1xp3 h PHE 85 CO 0.12 -0.03 -0.22 1.96 -2.23 0.00 0.00 178.31 177.91 1xp3 h GLN 86 N 0.10 0.57 -0.56 1.11 1.08 -1.41 -2.33 115.11 113.68 1xp3 h GLN 86 Ca 0.13 -0.21 -0.05 0.00 -1.45 0.00 0.00 58.65 57.07 1xp3 h GLN 86 Cb 0.17 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.54 1xp3 h GLN 86 CO -0.22 0.75 0.14 1.25 -0.95 0.00 0.00 178.83 179.81 1xp3 h LEU 87 N 0.51 0.81 -0.35 1.46 6.46 -0.80 -1.64 115.31 121.76 1xp3 h LEU 87 Ca 0.08 -0.15 -0.13 0.00 -0.12 0.00 0.00 57.88 57.56 1xp3 h LEU 87 Cb 0.65 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.37 1xp3 h LEU 87 CO 0.05 0.79 -0.29 1.23 -0.62 0.00 0.00 178.44 179.60 1xp3 h GLY 88 N 0.99 0.89 0.88 3.75 0.00 -1.04 -1.78 103.07 106.76 1xp3 h GLY 88 Ca 0.18 -0.88 0.01 0.00 0.00 0.00 0.00 47.33 46.64 1xp3 h GLY 88 CO -0.00 0.79 -0.07 -2.08 0.00 0.00 0.00 176.54 175.19 1xp3 h VAL 89 N 0.60 0.84 -0.59 4.60 2.07 -1.31 -1.99 116.25 120.48 1xp3 h VAL 89 Ca 0.06 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.63 1xp3 h VAL 89 Cb 0.87 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 31.43 1xp3 h VAL 89 CO 0.08 0.00 0.33 0.44 0.02 0.00 0.00 177.57 178.43 1xp3 h ASP 90 N -0.14 0.49 -0.12 0.57 3.32 -1.28 -1.47 116.42 117.79 1xp3 h ASP 90 Ca 0.01 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.03 1xp3 h ASP 90 Cb 0.15 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 1xp3 h ASP 90 CO -0.04 0.33 -0.15 0.15 -1.72 0.00 0.00 179.24 177.81 1xp3 h PHE 91 N 0.62 0.38 -0.86 4.55 3.57 -1.23 -1.89 116.94 122.08 1xp3 h PHE 91 Ca 0.26 -0.12 0.16 0.00 3.53 0.00 0.00 57.97 61.79 1xp3 h PHE 91 Cb 0.13 -0.08 -0.10 0.00 2.79 0.00 0.00 35.95 38.70 1xp3 h PHE 91 CO -0.08 0.75 0.43 -0.07 -2.23 0.00 0.00 178.31 177.11 1xp3 h LEU 92 N -0.09 0.50 -0.94 0.59 4.07 -1.26 0.48 115.31 118.67 1xp3 h LEU 92 Ca 0.02 0.10 0.03 0.00 0.08 0.00 0.00 57.88 58.10 1xp3 h LEU 92 Cb 0.70 0.03 -0.05 0.00 1.08 0.00 0.00 40.66 42.41 1xp3 h LEU 92 CO 0.04 0.19 0.61 0.03 -1.08 0.00 0.00 178.44 178.23 1xp3 h ARG 93 N 0.59 1.17 -0.09 1.13 3.08 -1.02 0.73 114.38 119.97 1xp3 h ARG 93 Ca 0.48 -0.07 -0.16 0.00 0.07 0.00 0.00 59.98 60.30 1xp3 h ARG 93 Cb 0.73 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 1xp3 h ARG 93 CO -0.39 0.78 -0.63 0.52 -1.07 0.00 0.00 179.97 179.18 1xp3 h MET 94 N 1.21 0.34 -0.26 0.04 2.86 -0.45 -3.11 114.93 115.55 1xp3 h MET 94 Ca 0.36 -0.24 -0.14 0.00 -2.06 0.00 0.00 59.70 57.63 1xp3 h MET 94 Cb -0.04 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1xp3 h MET 94 CO -0.11 0.85 -0.41 1.49 1.06 0.00 0.00 176.91 179.79 1xp3 h GLU 95 N 0.25 0.62 -0.27 1.72 4.57 0.43 -0.86 114.58 121.04 1xp3 h GLU 95 Ca -0.01 -0.32 -0.09 0.00 -1.18 0.00 0.00 59.36 57.76 1xp3 h GLU 95 Cb 1.16 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.74 1xp3 h GLU 95 CO 0.10 0.92 -0.21 0.82 -1.18 0.00 0.00 179.01 179.46 1xp3 h ILE 96 N 0.51 1.26 -0.03 2.32 2.04 -0.92 -0.88 117.51 121.81 1xp3 h ILE 96 Ca 0.04 -1.20 -0.00 0.00 1.00 0.00 0.00 64.86 64.70 1xp3 h ILE 96 Cb 0.93 1.28 -0.00 0.00 -0.74 0.00 0.00 36.82 38.30 1xp3 h ILE 96 CO 0.08 0.38 -0.00 -0.08 0.00 0.00 0.00 178.15 178.54 1xp3 h GLU 97 N 0.45 0.05 -0.14 2.37 4.81 -1.35 -0.19 114.58 120.57 1xp3 h GLU 97 Ca 0.07 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.32 1xp3 h GLU 97 Cb 0.62 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.96 1xp3 h GLU 97 CO 0.04 0.36 -0.08 0.00 -0.73 0.00 0.00 179.01 178.60 1xp3 h ARG 98 N -0.26 -0.07 -0.20 1.92 3.08 -1.12 -2.33 114.38 115.40 1xp3 h ARG 98 Ca 0.01 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 1xp3 h ARG 98 Cb 0.34 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 1xp3 h ARG 98 CO 0.00 -0.05 0.05 1.15 -1.07 0.00 0.00 179.97 180.06 1xp3 h THR 99 N -0.07 1.20 -0.70 2.04 2.02 -1.13 0.26 112.91 116.53 1xp3 h THR 99 Ca 0.08 -0.65 0.20 0.00 0.77 0.00 0.00 66.41 66.82 1xp3 h THR 99 Cb 0.19 1.25 -0.03 0.00 -1.74 0.00 0.00 68.15 67.82 1xp3 h THR 99 CO -0.19 0.20 0.67 0.28 0.37 0.00 0.00 175.52 176.85 1xp3 h SER 100 N 0.14 0.00 0.61 4.18 0.02 -0.94 -2.43 113.55 115.13 1xp3 h SER 100 Ca 0.06 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.81 1xp3 h SER 100 Cb 0.26 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.77 1xp3 h SER 100 CO 0.00 0.00 -1.54 0.00 -1.14 0.00 0.00 176.83 174.15 1xp3 n ALA 101 N -2.43 1.82 -1.47 3.77 0.00 0.80 -4.30 120.51 118.70 1xp3 n ALA 101 Ca 0.14 -0.63 -0.37 0.00 0.00 0.00 0.00 53.44 52.58 1xp3 n ALA 101 Cb 0.92 -0.90 0.06 0.00 0.00 0.00 0.00 19.45 19.52 1xp3 n ALA 101 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1xp3 n LEU 102 N -2.91 2.32 0.03 0.00 4.77 -0.57 -4.95 117.00 115.69 1xp3 n LEU 102 Ca -0.12 0.72 -0.09 0.00 -0.03 0.00 0.00 56.01 56.49 1xp3 n LEU 102 Cb 0.90 -1.30 -0.13 0.00 -2.33 0.00 0.00 43.42 40.56 1xp3 n LEU 102 CO 0.43 -2.47 -0.21 1.23 -1.33 0.00 0.00 177.39 175.04 1xp3 h GLY 103 N 0.13 0.04 -2.65 -0.72 0.00 -1.78 -3.42 103.07 94.66 1xp3 h GLY 103 Ca -0.47 -0.09 -0.15 0.00 0.00 0.00 0.00 47.33 46.62 1xp3 h GLY 103 CO 0.47 0.08 -0.93 3.33 0.00 0.00 0.00 176.54 179.50 1xp3 n VAL 104 N -3.23 0.49 -3.90 4.60 0.24 -1.26 -4.91 118.33 110.36 1xp3 n VAL 104 Ca -0.09 -1.52 -0.35 0.00 -2.04 0.00 0.00 64.34 60.34 1xp3 n VAL 104 Cb 1.00 0.74 -0.14 0.00 -1.47 0.00 0.00 33.84 33.98 1xp3 n VAL 104 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xp3 s ALA 105 N -0.76 2.85 -0.49 2.33 0.00 -1.26 -1.60 121.76 122.84 1xp3 s ALA 105 Ca 0.35 -1.16 0.24 0.00 0.00 0.00 0.00 51.96 51.38 1xp3 s ALA 105 Cb 0.38 -1.74 0.24 0.00 0.00 0.00 0.00 23.12 22.01 1xp3 s ALA 105 CO -0.15 -0.43 1.27 0.87 0.00 0.00 0.00 175.76 177.33 1xp3 h LYS 106 N 8.10 0.00 -4.41 0.00 6.56 -1.89 -3.44 116.57 121.49 1xp3 h LYS 106 Ca -0.41 0.00 -0.34 0.00 -1.06 0.00 0.00 60.65 58.84 1xp3 h LYS 106 Cb 1.16 0.00 -0.28 0.00 -0.57 0.00 0.00 32.23 32.54 1xp3 h LYS 106 CO 0.60 0.00 -0.76 -0.65 -2.06 0.00 0.00 179.45 176.58 1xp3 s GLN 107 N -3.23 0.50 -0.22 3.15 -1.52 -1.26 0.11 119.66 117.18 1xp3 s GLN 107 Ca 0.04 -0.23 0.02 0.00 -1.95 0.00 0.00 55.36 53.24 1xp3 s GLN 107 Cb 0.11 -0.47 0.04 0.00 -0.22 0.00 0.00 33.01 32.47 1xp3 s GLN 107 CO 0.74 0.13 -0.15 0.42 -0.25 0.00 0.00 175.29 176.18 1xp3 s ILE 108 N -0.17 2.16 0.13 1.08 1.01 0.33 -1.52 121.20 124.22 1xp3 s ILE 108 Ca 0.02 -1.29 -0.30 0.00 0.00 0.00 0.00 60.65 59.08 1xp3 s ILE 108 Cb -0.03 -2.10 -0.07 0.00 0.01 0.00 0.00 42.46 40.28 1xp3 s ILE 108 CO -0.00 0.24 1.14 -0.69 0.00 0.00 0.00 174.94 175.62 1xp3 s VAL 109 N 1.20 3.94 -0.05 2.92 1.01 0.16 0.51 120.40 130.09 1xp3 s VAL 109 Ca -0.02 1.56 -0.01 0.00 0.00 0.00 0.00 61.98 63.51 1xp3 s VAL 109 Cb -0.17 -3.99 0.03 0.00 0.00 0.00 0.00 36.38 32.25 1xp3 s VAL 109 CO -0.09 0.21 0.01 -0.22 0.00 0.00 0.00 175.10 175.01 1xp3 s LEU 110 N 0.18 0.77 -0.23 3.92 2.96 -0.55 -0.16 118.68 125.57 1xp3 s LEU 110 Ca 0.53 -0.04 -0.29 0.00 -0.22 0.00 0.00 54.13 54.11 1xp3 s LEU 110 Cb -0.29 -0.32 -0.03 0.00 0.50 0.00 0.00 46.19 46.04 1xp3 s LEU 110 CO 0.33 -0.16 1.74 -1.00 -1.32 0.00 0.00 176.35 175.94 1xp3 s HIS 111 N 1.60 1.89 0.27 5.38 3.76 -1.26 -1.12 115.29 125.81 1xp3 s HIS 111 Ca -0.01 0.49 -0.01 0.00 -0.15 0.00 0.00 55.06 55.37 1xp3 s HIS 111 Cb -0.13 -4.03 0.59 0.00 1.11 0.00 0.00 32.58 30.11 1xp3 s HIS 111 CO -0.03 -3.24 1.67 -1.35 -0.85 0.00 0.00 174.74 170.95 1xp3 h PRO 112 N 11.61 0.27 0.00 8.40 0.11 -1.79 -3.47 132.00 147.13 1xp3 h PRO 112 Ca -0.35 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1xp3 h PRO 112 Cb 1.17 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1xp3 h PRO 112 CO 1.00 0.18 0.00 0.41 -0.21 0.00 0.00 178.00 179.38 1xp3 n GLY 113 N -1.36 2.71 3.22 -0.55 0.00 -1.26 -4.39 105.19 103.56 1xp3 n GLY 113 Ca 0.18 -1.15 -0.31 0.00 0.00 0.00 0.00 46.02 44.73 1xp3 n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xp3 s ALA 114 N -2.00 2.10 -0.85 4.61 0.00 -1.26 0.94 121.76 125.30 1xp3 s ALA 114 Ca 0.00 -0.95 0.26 0.00 0.00 0.00 0.00 51.96 51.27 1xp3 s ALA 114 Cb 0.00 -0.76 0.73 0.00 0.00 0.00 0.00 23.12 23.09 1xp3 s ALA 114 CO 0.00 0.31 1.61 -2.39 0.00 0.00 0.00 175.76 175.29 1xp3 n HIS 115 N 3.40 0.33 -4.01 0.00 1.44 -0.12 -4.15 115.22 112.11 1xp3 n HIS 115 Ca -0.19 0.10 -0.29 0.00 -2.01 0.00 0.00 57.72 55.32 1xp3 n HIS 115 Cb 0.53 -0.57 -0.08 0.00 0.12 0.00 0.00 29.99 30.00 1xp3 n HIS 115 CO 0.00 0.00 0.00 1.55 -2.81 0.00 0.00 176.34 175.08 1xp3 n VAL 116 N -1.81 -0.50 0.00 0.61 3.14 -1.26 -1.63 118.33 116.88 1xp3 n VAL 116 Ca 0.05 -0.25 0.00 0.00 -2.96 0.00 0.00 64.34 61.18 1xp3 n VAL 116 Cb 0.38 -0.67 0.00 0.00 -1.06 0.00 0.00 33.84 32.50 1xp3 n VAL 116 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1xp3 n GLY 117 N -1.79 1.02 0.01 7.55 0.00 -1.26 -4.93 105.19 105.80 1xp3 n GLY 117 Ca -0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.02 1xp3 n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xp3 n ALA 118 N -1.21 2.17 -0.21 4.61 0.00 -0.65 -5.04 120.51 120.18 1xp3 n ALA 118 Ca 0.00 -0.08 0.01 0.00 0.00 0.00 0.00 53.44 53.37 1xp3 n ALA 118 Cb 0.00 -1.42 -0.00 0.00 0.00 0.00 0.00 19.45 18.03 1xp3 n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xp3 n GLY 119 N 1.13 -2.90 0.25 0.00 0.00 -1.26 -4.35 105.19 98.06 1xp3 n GLY 119 Ca 0.06 -1.28 0.02 0.00 0.00 0.00 0.00 46.02 44.82 1xp3 n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xp3 h ALA 120 N -0.04 0.90 -0.31 4.61 0.00 -1.93 -1.77 119.26 120.72 1xp3 h ALA 120 Ca -0.01 0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.05 1xp3 h ALA 120 Cb 0.15 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1xp3 h ALA 120 CO 0.00 -0.20 0.06 -0.44 0.00 0.00 0.00 179.25 178.67 1xp3 h ASP 121 N 0.42 0.00 -0.44 0.00 3.32 -1.99 0.19 116.42 117.92 1xp3 h ASP 121 Ca 0.35 0.05 -0.08 0.00 0.02 0.00 0.00 57.03 57.38 1xp3 h ASP 121 Cb 0.48 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.09 1xp3 h ASP 121 CO -0.35 0.04 -0.03 0.00 -1.72 0.00 0.00 179.24 177.18 1xp3 h ALA 122 N 1.23 0.60 -0.69 3.45 0.00 -1.65 -1.77 119.26 120.43 1xp3 h ALA 122 Ca 0.15 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1xp3 h ALA 122 Cb 0.16 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1xp3 h ALA 122 CO -0.20 0.42 0.20 0.78 0.00 0.00 0.00 179.25 180.45 1xp3 h GLY 123 N 0.64 1.14 1.68 0.00 0.00 -0.70 -2.64 103.07 103.20 1xp3 h GLY 123 Ca 0.12 -0.67 -0.15 0.00 0.00 0.00 0.00 47.33 46.63 1xp3 h GLY 123 CO 0.03 0.63 -0.57 -2.22 0.00 0.00 0.00 176.54 174.41 1xp3 h ILE 124 N 1.02 1.36 0.00 2.60 2.04 -0.37 -1.90 117.51 122.27 1xp3 h ILE 124 Ca 0.22 -1.88 -0.08 0.00 1.00 0.00 0.00 64.86 64.12 1xp3 h ILE 124 Cb 0.31 1.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 1xp3 h ILE 124 CO -0.01 0.57 -0.39 1.56 0.00 0.00 0.00 178.15 179.88 1xp3 h GLN 125 N 0.25 0.00 -0.02 2.37 1.08 -1.17 -1.86 115.11 115.76 1xp3 h GLN 125 Ca -0.00 0.00 -0.25 0.00 -1.45 0.00 0.00 58.65 56.95 1xp3 h GLN 125 Cb 1.08 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.52 1xp3 h GLN 125 CO 0.09 0.39 -0.97 1.96 -0.95 0.00 0.00 178.83 179.35 1xp3 h GLN 126 N 0.00 0.60 -0.45 1.46 1.08 -1.05 -2.52 115.11 114.24 1xp3 h GLN 126 Ca -0.00 -0.62 -0.01 0.00 -1.45 0.00 0.00 58.65 56.56 1xp3 h GLN 126 Cb 0.72 0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 28.30 1xp3 h GLN 126 CO 0.05 1.23 0.24 0.82 -0.95 0.00 0.00 178.83 180.22 1xp3 h ILE 127 N 0.35 1.17 -0.57 2.54 2.04 -1.09 0.35 117.51 122.30 1xp3 h ILE 127 Ca -0.10 -0.44 0.07 0.00 1.00 0.00 0.00 64.86 65.39 1xp3 h ILE 127 Cb 1.61 0.63 -0.06 0.00 -0.74 0.00 0.00 36.82 38.27 1xp3 h ILE 127 CO 0.18 0.18 0.26 0.40 0.00 0.00 0.00 178.15 179.17 1xp3 h ILE 128 N 0.59 0.88 -0.08 -0.67 2.04 -1.36 0.24 117.51 119.14 1xp3 h ILE 128 Ca 0.16 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 1xp3 h ILE 128 Cb 0.07 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1xp3 h ILE 128 CO -0.02 0.09 0.01 0.50 0.00 0.00 0.00 178.15 178.73 1xp3 h LYS 129 N 0.48 0.13 -0.42 2.37 3.64 -0.95 0.14 116.57 121.97 1xp3 h LYS 129 Ca 0.27 -0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.67 1xp3 h LYS 129 Cb 0.24 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.00 1xp3 h LYS 129 CO -0.22 0.36 0.14 0.78 -2.27 0.00 0.00 179.45 178.23 1xp3 h GLY 130 N -0.11 0.53 1.20 5.01 0.00 -0.10 -2.23 103.07 107.38 1xp3 h GLY 130 Ca 0.02 -0.07 -0.05 0.00 0.00 0.00 0.00 47.33 47.23 1xp3 h GLY 130 CO 0.00 0.01 0.19 1.41 0.00 0.00 0.00 176.54 178.16 1xp3 h LEU 131 N 0.29 0.93 -1.84 3.11 3.38 -0.12 -1.32 115.31 119.75 1xp3 h LEU 131 Ca 0.20 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1xp3 h LEU 131 Cb 0.19 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1xp3 h LEU 131 CO -0.21 0.88 -0.08 0.78 0.09 0.00 0.00 178.44 179.90 1xp3 h ASN 132 N 0.96 0.00 1.17 -0.43 2.35 -0.44 -0.88 115.58 118.31 1xp3 h ASN 132 Ca 0.21 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.83 1xp3 h ASN 132 Cb 0.29 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.64 1xp3 h ASN 132 CO -0.01 0.08 -0.87 -0.33 -1.65 0.00 0.00 177.43 174.65 1xp3 h GLU 133 N 0.00 0.00 0.09 0.81 5.08 -0.67 -3.38 114.58 116.51 1xp3 h GLU 133 Ca -0.00 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 1xp3 h GLU 133 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1xp3 h GLU 133 CO 0.01 0.44 -0.96 0.28 -1.00 0.00 0.00 179.01 177.78 1xp3 h VAL 134 N 0.00 1.29 -3.69 3.13 2.07 -0.30 -3.48 116.25 115.27 1xp3 h VAL 134 Ca -0.06 -2.40 -0.50 0.00 0.82 0.00 0.00 66.70 64.56 1xp3 h VAL 134 Cb 1.47 2.92 -0.02 0.00 -1.52 0.00 0.00 31.29 34.14 1xp3 h VAL 134 CO 0.06 0.64 0.32 -0.76 0.02 0.00 0.00 177.57 177.85 1xp3 s LEU 135 N -7.81 4.63 0.06 2.57 1.43 -0.48 -4.89 118.68 114.18 1xp3 s LEU 135 Ca -0.19 1.88 0.06 0.00 -1.03 0.00 0.00 54.13 54.85 1xp3 s LEU 135 Cb 0.02 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.65 1xp3 s LEU 135 CO 0.75 0.15 -0.12 0.42 0.23 0.00 0.00 176.35 177.77 1xp3 s THR 136 N -1.06 3.21 -0.09 5.49 -4.23 -1.26 -4.96 115.64 112.75 1xp3 s THR 136 Ca 0.41 -1.14 0.29 0.00 -1.18 0.00 0.00 61.69 60.07 1xp3 s THR 136 Cb -0.25 -2.43 0.31 0.00 1.34 0.00 0.00 72.50 71.47 1xp3 s THR 136 CO 0.31 0.25 1.88 1.55 -0.54 0.00 0.00 174.62 178.07 1xp3 h PRO 137 N 4.14 0.00 -0.24 3.99 0.13 -1.97 -2.90 132.00 135.15 1xp3 h PRO 137 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1xp3 h PRO 137 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1xp3 h PRO 137 CO 0.51 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.88 1xp3 n ASP 138 N -2.59 2.88 -4.78 1.44 5.75 -1.26 -5.02 116.55 112.96 1xp3 n ASP 138 Ca 0.00 -2.26 -0.34 0.00 -0.01 0.00 0.00 54.79 52.18 1xp3 n ASP 138 Cb 0.18 -0.26 0.01 0.00 -1.03 0.00 0.00 41.12 40.02 1xp3 n ASP 138 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xp3 s GLN 139 N -1.46 3.29 -0.11 0.11 -2.07 -1.10 -4.97 119.66 113.35 1xp3 s GLN 139 Ca 0.23 1.44 0.14 0.00 -1.82 0.00 0.00 55.36 55.35 1xp3 s GLN 139 Cb 0.15 -2.01 0.44 0.00 -1.09 0.00 0.00 33.01 30.50 1xp3 s GLN 139 CO 0.10 -0.87 1.36 0.25 -1.32 0.00 0.00 175.29 174.81 1xp3 n THR 140 N -1.64 1.76 -4.03 3.63 -2.24 -1.26 -4.94 114.28 105.56 1xp3 n THR 140 Ca 0.10 -1.51 -0.13 0.00 -2.27 0.00 0.00 64.05 60.24 1xp3 n THR 140 Cb 0.52 0.06 -0.13 0.00 -2.10 0.00 0.00 70.33 68.67 1xp3 n THR 140 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1xp3 s VAL 141 N -2.08 0.26 0.31 2.28 -7.23 -1.26 -4.85 120.40 107.84 1xp3 s VAL 141 Ca 0.34 -0.35 0.02 0.00 -1.81 0.00 0.00 61.98 60.19 1xp3 s VAL 141 Cb 0.25 -0.27 -0.03 0.00 0.56 0.00 0.00 36.38 36.89 1xp3 s VAL 141 CO 0.12 -0.06 0.48 0.20 -0.31 0.00 0.00 175.10 175.53 1xp3 s ASN 142 N -0.43 6.30 -0.21 4.85 0.02 0.30 -4.95 114.94 120.81 1xp3 s ASN 142 Ca -0.02 0.31 -0.13 0.00 -1.02 0.00 0.00 52.86 51.99 1xp3 s ASN 142 Cb -0.03 -1.96 -0.04 0.00 0.02 0.00 0.00 41.25 39.23 1xp3 s ASN 142 CO -0.00 -0.22 0.28 -0.63 0.02 0.00 0.00 177.10 176.55 1xp3 s ILE 143 N -2.20 5.29 -0.49 0.60 1.01 -0.45 -0.51 121.20 124.45 1xp3 s ILE 143 Ca 0.38 0.45 -0.14 0.00 0.00 0.00 0.00 60.65 61.34 1xp3 s ILE 143 Cb -0.09 -3.61 0.10 0.00 0.01 0.00 0.00 42.46 38.87 1xp3 s ILE 143 CO 0.33 0.32 0.41 0.00 0.00 0.00 0.00 174.94 176.00 1xp3 s ALA 144 N 1.03 3.53 -0.07 9.38 0.00 0.18 0.16 121.76 135.98 1xp3 s ALA 144 Ca 0.14 -2.34 -0.30 0.00 0.00 0.00 0.00 51.96 49.46 1xp3 s ALA 144 Cb -0.14 -3.05 -0.04 0.00 0.00 0.00 0.00 23.12 19.89 1xp3 s ALA 144 CO 0.05 -1.85 1.47 -0.51 0.00 0.00 0.00 175.76 174.92 1xp3 s LEU 145 N 1.56 4.28 -0.17 0.00 1.43 0.11 -1.48 118.68 124.41 1xp3 s LEU 145 Ca 0.04 2.04 -0.29 0.00 -1.03 0.00 0.00 54.13 54.89 1xp3 s LEU 145 Cb -0.27 -3.54 -0.00 0.00 0.03 0.00 0.00 46.19 42.41 1xp3 s LEU 145 CO 0.04 -0.82 1.04 -0.70 0.23 0.00 0.00 176.35 176.14 1xp3 s GLU 146 N 3.40 4.33 -0.52 1.70 2.12 -0.27 -0.97 118.70 128.49 1xp3 s GLU 146 Ca 0.65 1.40 -0.38 0.00 0.36 0.00 0.00 54.97 57.00 1xp3 s GLU 146 Cb -0.29 -3.60 -0.18 0.00 0.26 0.00 0.00 34.13 30.32 1xp3 s GLU 146 CO 0.24 -0.49 2.01 2.41 -0.54 0.00 0.00 175.26 178.89 1xp3 n THR 147 N 4.97 0.00 -3.92 -1.70 -1.04 -0.34 -4.51 114.28 107.74 1xp3 n THR 147 Ca 0.11 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.86 1xp3 n THR 147 Cb 0.47 -0.45 -0.03 0.00 -1.82 0.00 0.00 70.33 68.50 1xp3 n THR 147 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 1xp3 s MET 148 N 5.85 3.45 0.13 -2.82 1.00 0.31 -4.41 119.30 122.80 1xp3 s MET 148 Ca 1.11 -0.58 0.26 0.00 0.00 0.00 0.00 55.69 56.47 1xp3 s MET 148 Cb -1.32 -2.94 0.96 0.00 0.00 0.00 0.00 34.83 31.52 1xp3 s MET 148 CO 0.57 0.50 1.79 0.00 0.00 0.00 0.00 175.02 177.88 1xp3 n ALA 149 N -0.64 2.16 -1.27 3.03 0.00 -1.26 -4.32 120.51 118.20 1xp3 n ALA 149 Ca -0.07 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1xp3 n ALA 149 Cb 0.54 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1xp3 n ALA 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xp3 n GLY 150 N 1.07 0.52 3.79 0.00 0.00 -1.26 -3.56 105.19 105.75 1xp3 n GLY 150 Ca 0.05 -0.87 -0.35 0.00 0.00 0.00 0.00 46.02 44.85 1xp3 n GLY 150 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xp3 s LYS 151 N -2.61 4.03 0.00 1.61 2.20 -1.25 -4.77 119.74 118.96 1xp3 s LYS 151 Ca 0.00 1.41 0.00 0.00 -0.36 0.00 0.00 55.97 57.02 1xp3 s LYS 151 Cb 0.00 -2.33 0.00 0.00 -1.51 0.00 0.00 37.83 33.99 1xp3 s LYS 151 CO 0.00 -0.24 0.00 0.41 -0.36 0.00 0.00 175.35 175.16 1xp3 n GLY 152 N 0.01 2.20 1.86 5.54 0.00 -1.26 -2.12 105.19 111.42 1xp3 n GLY 152 Ca 0.07 0.15 -0.18 0.00 0.00 0.00 0.00 46.02 46.06 1xp3 n GLY 152 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xp3 n THR 153 N 0.00 2.99 -1.94 2.61 -2.24 -1.26 -5.01 114.28 109.43 1xp3 n THR 153 Ca 0.00 -2.29 -0.42 0.00 -2.27 0.00 0.00 64.05 59.07 1xp3 n THR 153 Cb 0.00 -0.46 -0.03 0.00 -2.10 0.00 0.00 70.33 67.75 1xp3 n THR 153 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1xp3 s GLU 154 N -3.31 4.22 0.27 -0.78 2.02 -0.90 -0.95 118.70 119.27 1xp3 s GLU 154 Ca 0.53 2.36 -0.06 0.00 0.02 0.00 0.00 54.97 57.82 1xp3 s GLU 154 Cb 0.46 -3.14 -0.05 0.00 0.10 0.00 0.00 34.13 31.49 1xp3 s GLU 154 CO 0.06 -0.57 0.54 0.00 0.02 0.00 0.00 175.26 175.31 1xp3 n GLY 156 N -0.74 0.86 0.09 0.00 0.00 -1.26 -4.03 105.19 100.11 1xp3 n GLY 156 Ca -0.01 -0.27 0.12 0.00 0.00 0.00 0.00 46.02 45.86 1xp3 n GLY 156 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1xp3 h ARG 157 N 0.00 0.00 -5.29 1.61 0.11 -1.77 0.89 114.38 109.92 1xp3 h ARG 157 Ca 0.00 0.00 -0.41 0.00 0.10 0.00 0.00 59.98 59.67 1xp3 h ARG 157 Cb 0.01 0.00 -0.14 0.00 1.11 0.00 0.00 29.97 30.94 1xp3 h ARG 157 CO 0.00 0.00 -0.70 -1.54 0.10 0.00 0.00 179.97 177.83 1xp3 s SER 158 N -4.51 2.20 0.23 0.08 1.04 -1.26 -4.76 113.70 106.71 1xp3 s SER 158 Ca 0.07 -1.10 -0.08 0.00 0.48 0.00 0.00 55.95 55.31 1xp3 s SER 158 Cb 0.12 -0.07 0.20 0.00 0.10 0.00 0.00 66.02 66.37 1xp3 s SER 158 CO 0.70 -0.34 1.88 -0.26 0.98 0.00 0.00 173.24 176.20 1xp3 h PHE 159 N 2.54 1.13 -0.80 5.02 0.05 -1.99 -2.08 116.94 120.81 1xp3 h PHE 159 Ca -0.38 0.00 0.12 0.00 3.82 0.00 0.00 57.97 61.54 1xp3 h PHE 159 Cb 1.22 -0.37 -0.08 0.00 2.00 0.00 0.00 35.95 38.71 1xp3 h PHE 159 CO 0.65 0.74 0.40 0.93 -0.18 0.00 0.00 178.31 180.86 1xp3 h GLU 160 N 1.19 0.61 -0.33 1.51 3.07 -1.96 0.16 114.58 118.82 1xp3 h GLU 160 Ca 0.31 -0.04 -0.06 0.00 -0.50 0.00 0.00 59.36 59.08 1xp3 h GLU 160 Cb -0.07 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 27.69 1xp3 h GLU 160 CO -0.06 0.40 -0.02 0.93 -1.40 0.00 0.00 179.01 178.86 1xp3 h GLU 161 N 0.62 0.60 0.09 2.33 5.08 -1.78 -0.99 114.58 120.53 1xp3 h GLU 161 Ca 0.42 -0.20 0.02 0.00 -1.00 0.00 0.00 59.36 58.59 1xp3 h GLU 161 Cb 0.53 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 1xp3 h GLU 161 CO -0.32 0.74 -0.20 0.82 -1.00 0.00 0.00 179.01 179.04 1xp3 h ILE 162 N 0.40 0.54 -0.87 3.13 1.08 -0.89 -2.17 117.51 118.72 1xp3 h ILE 162 Ca 0.09 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.62 1xp3 h ILE 162 Cb 0.48 0.54 -0.06 0.00 -3.07 0.00 0.00 36.82 34.70 1xp3 h ILE 162 CO 0.02 0.00 0.54 0.00 -0.69 0.00 0.00 178.15 178.02 1xp3 h ALA 163 N 0.44 1.20 -1.00 1.87 0.00 -0.66 -1.05 119.26 120.05 1xp3 h ALA 163 Ca 0.03 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1xp3 h ALA 163 Cb 0.41 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 1xp3 h ALA 163 CO -0.13 0.29 0.66 -0.22 0.00 0.00 0.00 179.25 179.86 1xp3 h LYS 164 N 0.99 1.26 -0.43 0.00 1.63 -0.87 0.64 116.57 119.79 1xp3 h LYS 164 Ca 0.38 -0.08 -0.08 0.00 -0.85 0.00 0.00 60.65 60.03 1xp3 h LYS 164 Cb 0.17 -0.28 -0.01 0.00 -0.60 0.00 0.00 32.23 31.50 1xp3 h LYS 164 CO -0.17 0.83 -0.03 0.82 -3.45 0.00 0.00 179.45 177.45 1xp3 h ILE 165 N 1.30 1.27 -0.46 2.00 2.04 -0.60 -2.35 117.51 120.71 1xp3 h ILE 165 Ca 0.39 -1.10 -0.06 0.00 1.00 0.00 0.00 64.86 65.09 1xp3 h ILE 165 Cb -0.05 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 1xp3 h ILE 165 CO -0.11 0.37 0.04 0.40 0.00 0.00 0.00 178.15 178.85 1xp3 h ILE 166 N 0.62 1.26 0.00 -0.67 2.04 -0.36 -2.43 117.51 117.97 1xp3 h ILE 166 Ca 0.12 -0.98 -0.02 0.00 1.00 0.00 0.00 64.86 64.98 1xp3 h ILE 166 Cb 0.54 1.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.62 1xp3 h ILE 166 CO 0.03 0.34 -0.09 0.44 0.00 0.00 0.00 178.15 178.87 1xp3 h ASP 167 N 0.64 0.00 -0.04 1.72 5.19 -0.84 -2.68 116.42 120.41 1xp3 h ASP 167 Ca 0.13 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.42 1xp3 h ASP 167 Cb 0.44 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.94 1xp3 h ASP 167 CO 0.02 0.09 -0.38 1.23 -3.12 0.00 0.00 179.24 177.07 1xp3 h GLY 168 N 0.37 0.59 -4.46 2.75 0.00 -0.92 -3.46 103.07 97.96 1xp3 h GLY 168 Ca -0.00 -0.57 -0.59 0.00 0.00 0.00 0.00 47.33 46.17 1xp3 h GLY 168 CO 0.01 0.52 -0.26 -1.34 0.00 0.00 0.00 176.54 175.47 1xp3 s VAL 169 N -4.28 5.11 0.03 4.60 -7.23 -1.01 -5.00 120.40 112.61 1xp3 s VAL 169 Ca -0.07 0.35 -0.17 0.00 -1.81 0.00 0.00 61.98 60.28 1xp3 s VAL 169 Cb 0.13 -3.64 -0.28 0.00 0.56 0.00 0.00 36.38 33.15 1xp3 s VAL 169 CO 0.82 0.21 1.07 0.07 -0.31 0.00 0.00 175.10 176.96 1xp3 h LYS 170 N 3.44 0.54 -2.28 4.82 2.10 -1.89 -3.22 116.57 120.09 1xp3 h LYS 170 Ca -0.48 -0.72 -0.71 0.00 -2.00 0.00 0.00 60.65 56.74 1xp3 h LYS 170 Cb 1.19 0.24 -0.20 0.00 -0.90 0.00 0.00 32.23 32.55 1xp3 h LYS 170 CO 0.68 1.31 1.39 0.66 -2.00 0.00 0.00 179.45 181.49 1xp3 n TYR 171 N -3.92 2.48 0.53 0.07 4.02 -1.26 -4.74 117.16 114.33 1xp3 n TYR 171 Ca -0.13 -2.48 0.10 0.00 -0.01 0.00 0.00 57.90 55.39 1xp3 n TYR 171 Cb 0.90 -1.46 0.43 0.00 -0.02 0.00 0.00 39.34 39.19 1xp3 n TYR 171 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 1xp3 n ASN 172 N 0.70 0.36 0.29 7.72 2.04 -1.22 -1.86 115.26 123.30 1xp3 n ASN 172 Ca 0.54 0.58 0.19 0.00 -0.44 0.00 0.00 54.58 55.44 1xp3 n ASN 172 Cb 0.32 -0.66 1.01 0.00 -2.53 0.00 0.00 39.78 37.92 1xp3 n ASN 172 CO 0.00 0.00 0.00 1.05 -0.44 0.00 0.00 177.26 177.87 1xp3 h GLU 173 N 0.00 0.00 -0.44 -3.83 9.09 -1.91 -0.22 114.58 117.27 1xp3 h GLU 173 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1xp3 h GLU 173 Cb 0.38 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.48 1xp3 h GLU 173 CO 0.00 0.00 0.00 1.63 0.05 0.00 0.00 179.01 180.69 1xp3 n LYS 174 N -2.83 2.08 -4.57 1.06 4.76 -0.78 -4.86 118.16 113.01 1xp3 n LYS 174 Ca -0.02 -1.67 -0.33 0.00 -2.87 0.00 0.00 58.31 53.41 1xp3 n LYS 174 Cb 0.10 -1.38 -0.13 0.00 -1.84 0.00 0.00 35.03 31.78 1xp3 n LYS 174 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1xp3 s LEU 175 N -1.09 3.02 0.00 -0.35 1.43 -0.10 -1.34 118.68 120.25 1xp3 s LEU 175 Ca 0.32 -0.21 0.01 0.00 -1.03 0.00 0.00 54.13 53.23 1xp3 s LEU 175 Cb 0.17 -1.71 -0.00 0.00 0.03 0.00 0.00 46.19 44.68 1xp3 s LEU 175 CO 0.23 0.18 0.03 -1.20 0.23 0.00 0.00 176.35 175.82 1xp3 n SER 176 N 3.45 2.81 -4.28 2.29 7.64 0.12 -4.94 113.62 120.72 1xp3 n SER 176 Ca -0.18 -3.03 -0.20 0.00 1.01 0.00 0.00 58.87 56.48 1xp3 n SER 176 Cb 0.53 0.47 -0.11 0.00 -1.01 0.00 0.00 64.21 64.08 1xp3 n SER 176 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1xp3 s VAL 177 N -2.74 1.55 -0.27 0.44 -7.23 0.20 0.09 120.40 112.43 1xp3 s VAL 177 Ca 0.04 -1.79 -0.02 0.00 -1.81 0.00 0.00 61.98 58.41 1xp3 s VAL 177 Cb 0.00 -1.66 0.04 0.00 0.56 0.00 0.00 36.38 35.32 1xp3 s VAL 177 CO 0.03 -0.35 -0.04 0.00 -0.31 0.00 0.00 175.10 174.43 1xp3 s PHE 179 N 1.29 3.03 -0.25 0.00 2.19 -0.09 -1.20 117.98 122.95 1xp3 s PHE 179 Ca -0.02 -0.21 -0.11 0.00 0.33 0.00 0.00 56.93 56.91 1xp3 s PHE 179 Cb -0.18 -3.48 -0.05 0.00 -1.31 0.00 0.00 43.02 38.00 1xp3 s PHE 179 CO -0.03 -0.97 0.20 0.34 1.83 0.00 0.00 175.22 176.59 1xp3 s ASP 180 N 2.30 6.10 0.32 6.13 3.68 -1.26 -0.89 116.67 133.06 1xp3 s ASP 180 Ca 0.21 0.10 0.03 0.00 2.13 0.00 0.00 52.55 55.01 1xp3 s ASP 180 Cb -0.16 -2.12 0.55 0.00 -1.45 0.00 0.00 42.92 39.74 1xp3 s ASP 180 CO 0.17 -0.00 1.86 0.71 0.13 0.00 0.00 175.17 178.03 1xp3 h THR 181 N 5.18 1.20 -0.14 1.71 1.35 -1.25 -0.97 112.91 119.99 1xp3 h THR 181 Ca -0.36 -0.80 -0.02 0.00 -0.55 0.00 0.00 66.41 64.68 1xp3 h THR 181 Cb 1.18 0.88 -0.01 0.00 -1.73 0.00 0.00 68.15 68.47 1xp3 h THR 181 CO 0.62 0.28 0.00 0.00 -0.25 0.00 0.00 175.52 176.17 1xp3 h HIS 183 N -0.01 -0.08 -0.43 0.00 3.86 -1.74 0.19 115.15 116.95 1xp3 h HIS 183 Ca 0.04 -0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.28 1xp3 h HIS 183 Cb 0.36 0.03 -0.04 0.00 1.06 0.00 0.00 27.41 28.82 1xp3 h HIS 183 CO 0.03 0.12 0.22 1.79 0.86 0.00 0.00 177.93 180.95 1xp3 h THR 184 N -0.27 0.97 0.21 2.45 1.35 -1.22 0.62 112.91 117.01 1xp3 h THR 184 Ca -0.01 -0.15 0.01 0.00 -0.55 0.00 0.00 66.41 65.71 1xp3 h THR 184 Cb 0.24 0.50 -0.03 0.00 -1.73 0.00 0.00 68.15 67.12 1xp3 h THR 184 CO 0.01 0.08 -0.34 -0.74 -0.25 0.00 0.00 175.52 174.28 1xp3 h HIS 185 N 0.43 -0.94 0.00 4.73 6.17 -1.25 -1.28 115.15 123.01 1xp3 h HIS 185 Ca 0.18 0.02 -0.00 0.00 0.71 0.00 0.00 60.37 61.28 1xp3 h HIS 185 Cb 0.09 0.39 -0.00 0.00 2.52 0.00 0.00 27.41 30.41 1xp3 h HIS 185 CO -0.10 -0.46 -0.00 -0.44 0.71 0.00 0.00 177.93 177.63 1xp3 h ASP 186 N -0.63 0.00 0.37 3.26 3.45 0.61 0.26 116.42 123.74 1xp3 h ASP 186 Ca 0.01 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.47 1xp3 h ASP 186 Cb 0.62 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.39 1xp3 h ASP 186 CO -0.15 0.00 -0.28 0.00 -1.57 0.00 0.00 179.24 177.25 1xp3 n ALA 187 N -2.29 3.10 0.00 3.45 0.00 0.20 -0.68 120.51 124.30 1xp3 n ALA 187 Ca -0.03 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1xp3 n ALA 187 Cb 0.09 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.35 1xp3 n ALA 187 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xp3 n GLY 188 N 1.38 1.15 3.76 0.00 0.00 0.85 -4.77 105.19 107.56 1xp3 n GLY 188 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1xp3 n GLY 188 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xp3 s TYR 189 N -2.00 3.91 -1.19 1.61 2.02 -0.57 -4.78 117.35 116.35 1xp3 s TYR 189 Ca 0.00 1.73 -0.11 0.00 -0.37 0.00 0.00 57.07 58.32 1xp3 s TYR 189 Cb 0.00 -2.87 0.21 0.00 -0.40 0.00 0.00 41.96 38.90 1xp3 s TYR 189 CO 0.00 0.45 1.45 -3.47 -1.57 0.00 0.00 175.55 172.40 1xp3 n ASP 190 N 1.78 5.40 0.00 2.29 2.03 -1.26 -4.16 116.55 122.62 1xp3 n ASP 190 Ca -0.03 -3.06 0.10 0.00 0.52 0.00 0.00 54.79 52.32 1xp3 n ASP 190 Cb 0.48 -1.48 0.54 0.00 -0.72 0.00 0.00 41.12 39.95 1xp3 n ASP 190 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1xp3 n ILE 191 N 3.56 0.33 -0.03 5.18 -5.35 -1.26 -1.70 119.36 120.09 1xp3 n ILE 191 Ca 0.33 0.08 -0.01 0.00 -0.27 0.00 0.00 62.75 62.89 1xp3 n ILE 191 Cb 0.40 -0.73 -0.00 0.00 -1.74 0.00 0.00 39.64 37.56 1xp3 n ILE 191 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 1xp3 h VAL 192 N 0.00 0.00 -0.47 7.28 2.07 -1.88 -3.23 116.25 120.02 1xp3 h VAL 192 Ca 0.00 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.66 1xp3 h VAL 192 Cb 0.19 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.96 1xp3 h VAL 192 CO 0.00 0.00 0.00 -0.46 0.02 0.00 0.00 177.57 177.13 1xp3 n ASN 193 N -4.49 4.86 -2.27 0.57 6.94 -1.26 -4.70 115.26 114.91 1xp3 n ASN 193 Ca -0.01 -2.85 -0.02 0.00 -0.02 0.00 0.00 54.58 51.68 1xp3 n ASN 193 Cb 0.02 -0.60 0.09 0.00 -2.36 0.00 0.00 39.78 36.92 1xp3 n ASN 193 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1xp3 n ASN 194 N 0.31 -1.22 -0.32 0.53 5.15 -0.69 -4.96 115.26 114.05 1xp3 n ASN 194 Ca 0.25 -2.02 0.06 0.00 -0.60 0.00 0.00 54.58 52.26 1xp3 n ASN 194 Cb 1.02 0.55 0.21 0.00 -0.53 0.00 0.00 39.78 41.03 1xp3 n ASN 194 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 1xp3 h PHE 195 N 0.74 0.98 -0.73 1.20 3.57 -1.54 -1.38 116.94 119.77 1xp3 h PHE 195 Ca -0.41 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.19 1xp3 h PHE 195 Cb 1.27 -0.30 -0.06 0.00 2.79 0.00 0.00 35.95 39.65 1xp3 h PHE 195 CO -0.10 0.37 0.41 -0.44 -2.23 0.00 0.00 178.31 176.32 1xp3 h ASP 196 N 0.86 0.61 -0.78 0.41 3.32 -1.90 0.23 116.42 119.16 1xp3 h ASP 196 Ca 0.46 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.53 1xp3 h ASP 196 Cb 0.47 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.90 1xp3 h ASP 196 CO -0.27 0.39 0.46 1.23 -1.72 0.00 0.00 179.24 179.32 1xp3 h GLY 197 N 0.75 1.14 1.77 2.75 0.00 -1.73 -2.03 103.07 105.71 1xp3 h GLY 197 Ca 0.33 -0.49 -0.09 0.00 0.00 0.00 0.00 47.33 47.07 1xp3 h GLY 197 CO -0.19 0.47 -0.34 -2.08 0.00 0.00 0.00 176.54 174.40 1xp3 h VAL 198 N 1.07 1.28 -0.24 4.60 2.07 -0.48 -2.10 116.25 122.45 1xp3 h VAL 198 Ca 0.28 -1.35 -0.13 0.00 0.82 0.00 0.00 66.70 66.32 1xp3 h VAL 198 Cb -0.01 1.55 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1xp3 h VAL 198 CO -0.05 0.41 -0.36 0.25 0.02 0.00 0.00 177.57 177.83 1xp3 h LEU 199 N 0.23 0.74 -0.66 2.57 5.85 -0.34 -1.69 115.31 122.00 1xp3 h LEU 199 Ca 0.03 -0.52 0.07 0.00 0.84 0.00 0.00 57.88 58.30 1xp3 h LEU 199 Cb 0.71 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.47 1xp3 h LEU 199 CO 0.05 1.11 0.35 0.78 -0.34 0.00 0.00 178.44 180.39 1xp3 h ASN 200 N 0.39 0.49 0.13 1.25 -0.26 -1.10 0.26 115.58 116.74 1xp3 h ASN 200 Ca 0.02 0.04 -0.01 0.00 -0.56 0.00 0.00 56.30 55.80 1xp3 h ASN 200 Cb 0.95 -0.05 0.00 0.00 -1.06 0.00 0.00 38.32 38.16 1xp3 h ASN 200 CO 0.08 0.31 -0.06 -0.08 -1.06 0.00 0.00 177.43 176.62 1xp3 h GLU 201 N 0.63 -0.17 -0.65 0.81 4.81 -1.36 0.99 114.58 119.65 1xp3 h GLU 201 Ca 0.30 0.01 0.14 0.00 -0.13 0.00 0.00 59.36 59.68 1xp3 h GLU 201 Cb 0.24 0.04 -0.10 0.00 0.63 0.00 0.00 28.75 29.55 1xp3 h GLU 201 CO -0.21 -0.00 0.08 0.35 -0.73 0.00 0.00 179.01 178.50 1xp3 h PHE 202 N -0.30 0.10 -0.77 0.92 3.57 -0.89 0.21 116.94 119.79 1xp3 h PHE 202 Ca -0.02 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1xp3 h PHE 202 Cb 0.24 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.00 1xp3 h PHE 202 CO -0.03 -0.11 0.45 0.22 -2.23 0.00 0.00 178.31 176.61 1xp3 h ASP 203 N 0.19 0.93 -0.54 0.41 3.58 0.11 0.33 116.42 121.43 1xp3 h ASP 203 Ca 0.35 -0.07 -0.11 0.00 0.42 0.00 0.00 57.03 57.62 1xp3 h ASP 203 Cb 0.57 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.37 1xp3 h ASP 203 CO -0.50 0.73 -0.10 0.50 -2.88 0.00 0.00 179.24 176.99 1xp3 h LYS 204 N 1.05 1.01 0.01 0.28 1.63 0.64 -1.26 116.57 119.93 1xp3 h LYS 204 Ca 0.27 -0.38 -0.13 0.00 -0.85 0.00 0.00 60.65 59.57 1xp3 h LYS 204 Cb -0.02 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.53 1xp3 h LYS 204 CO -0.05 1.06 -0.70 0.82 -3.45 0.00 0.00 179.45 177.13 1xp3 h ILE 205 N 0.89 1.32 0.00 2.00 1.08 -0.50 -3.42 117.51 118.88 1xp3 h ILE 205 Ca 0.14 -2.27 -0.26 0.00 -0.39 0.00 0.00 64.86 62.08 1xp3 h ILE 205 Cb 0.67 2.77 -0.05 0.00 -3.07 0.00 0.00 36.82 37.15 1xp3 h ILE 205 CO 0.05 0.46 -1.98 0.52 -0.69 0.00 0.00 178.15 176.52 1xp3 n VAL 206 N -4.49 0.98 -0.14 1.67 0.31 0.85 -4.80 118.33 112.71 1xp3 n VAL 206 Ca -0.22 -0.49 0.00 0.00 -0.01 0.00 0.00 64.34 63.62 1xp3 n VAL 206 Cb 0.60 -0.87 0.00 0.00 -0.91 0.00 0.00 33.84 32.66 1xp3 n VAL 206 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xp3 n GLY 207 N 2.39 0.10 0.28 2.92 0.00 0.48 -4.80 105.19 106.56 1xp3 n GLY 207 Ca -0.27 -1.07 0.15 0.00 0.00 0.00 0.00 46.02 44.84 1xp3 n GLY 207 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1xp3 h ILE 208 N 0.00 0.42 0.00 -0.61 2.10 -1.78 -1.94 117.51 115.70 1xp3 h ILE 208 Ca 0.00 -0.40 0.00 0.00 1.08 0.00 0.00 64.86 65.54 1xp3 h ILE 208 Cb 0.00 1.28 0.00 0.00 -1.09 0.00 0.00 36.82 37.01 1xp3 h ILE 208 CO 0.00 0.08 0.00 0.44 -1.08 0.00 0.00 178.15 177.59 1xp3 h ASP 209 N 0.00 0.00 1.05 2.19 3.45 -1.95 -1.76 116.42 119.40 1xp3 h ASP 209 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1xp3 h ASP 209 Cb 0.27 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.04 1xp3 h ASP 209 CO 0.01 0.00 -0.85 0.03 -1.57 0.00 0.00 179.24 176.86 1xp3 h ARG 210 N 0.00 0.00 -5.65 3.56 3.08 -1.66 -3.43 114.38 110.29 1xp3 h ARG 210 Ca 0.00 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.80 1xp3 h ARG 210 Cb 0.17 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.19 1xp3 h ARG 210 CO 0.00 0.00 0.64 -1.17 -1.07 0.00 0.00 179.97 178.37 1xp3 s LEU 211 N -5.20 3.11 0.00 3.04 2.96 -0.66 0.58 118.68 122.51 1xp3 s LEU 211 Ca 0.01 -0.40 0.06 0.00 -0.22 0.00 0.00 54.13 53.59 1xp3 s LEU 211 Cb 0.10 -2.55 0.02 0.00 0.50 0.00 0.00 46.19 44.26 1xp3 s LEU 211 CO 0.77 -2.98 0.59 0.00 -1.32 0.00 0.00 176.35 173.41 1xp3 n GLN 212 N 8.87 1.19 -3.87 1.98 6.02 -0.56 -4.91 117.38 126.10 1xp3 n GLN 212 Ca 0.40 -0.67 -0.12 0.00 -0.01 0.00 0.00 57.00 56.61 1xp3 n GLN 212 Cb 0.47 -1.04 -0.13 0.00 1.02 0.00 0.00 30.24 30.56 1xp3 n GLN 212 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1xp3 s VAL 213 N -0.79 0.01 -0.16 5.09 1.01 -1.06 -4.36 120.40 120.14 1xp3 s VAL 213 Ca 0.06 -0.12 0.02 0.00 0.00 0.00 0.00 61.98 61.94 1xp3 s VAL 213 Cb 0.05 -0.10 0.01 0.00 0.00 0.00 0.00 36.38 36.34 1xp3 s VAL 213 CO 0.12 -0.06 -0.21 -0.76 0.00 0.00 0.00 175.10 174.19 1xp3 s LEU 214 N -0.18 2.16 -0.25 3.92 1.43 -0.65 -0.91 118.68 124.19 1xp3 s LEU 214 Ca -0.02 -0.61 -0.09 0.00 -1.03 0.00 0.00 54.13 52.38 1xp3 s LEU 214 Cb -0.02 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.69 1xp3 s LEU 214 CO -0.00 0.05 0.12 -1.00 0.23 0.00 0.00 176.35 175.75 1xp3 s HIS 215 N 0.99 3.17 -0.61 0.29 3.76 -0.07 0.40 115.29 123.21 1xp3 s HIS 215 Ca -0.03 -0.13 -0.10 0.00 -0.15 0.00 0.00 55.06 54.65 1xp3 s HIS 215 Cb -0.15 -2.28 0.16 0.00 1.11 0.00 0.00 32.58 31.42 1xp3 s HIS 215 CO -0.06 -0.21 0.50 0.42 -0.85 0.00 0.00 174.74 174.55 1xp3 s ILE 216 N 1.51 4.63 -0.01 0.60 -1.09 0.06 -0.83 121.20 126.07 1xp3 s ILE 216 Ca 0.06 -2.18 0.04 0.00 -2.23 0.00 0.00 60.65 56.34 1xp3 s ILE 216 Cb -0.15 -3.97 -0.01 0.00 -1.58 0.00 0.00 42.46 36.75 1xp3 s ILE 216 CO 0.06 -0.88 -0.14 0.20 -1.23 0.00 0.00 174.94 172.95 1xp3 s ASN 217 N 2.24 1.69 0.86 3.58 0.01 -1.26 -3.77 114.94 118.29 1xp3 s ASN 217 Ca 0.11 -0.26 -0.11 0.00 -0.71 0.00 0.00 52.86 51.89 1xp3 s ASN 217 Cb -0.21 -0.23 0.16 0.00 0.41 0.00 0.00 41.25 41.38 1xp3 s ASN 217 CO -0.03 0.17 1.19 -0.62 -1.51 0.00 0.00 177.10 176.30 1xp3 s ASP 218 N -0.28 3.74 0.04 -1.22 -1.08 -0.87 -3.41 116.67 113.59 1xp3 s ASP 218 Ca 0.04 0.18 0.05 0.00 -0.52 0.00 0.00 52.55 52.30 1xp3 s ASP 218 Cb -0.06 -0.41 -0.02 0.00 -1.46 0.00 0.00 42.92 40.97 1xp3 s ASP 218 CO -0.00 -2.31 -0.15 -0.55 0.52 0.00 0.00 175.17 172.68 1xp3 s SER 219 N -4.78 1.73 0.11 -0.34 0.15 -1.26 -0.08 113.70 109.22 1xp3 s SER 219 Ca 0.69 -0.45 0.27 0.00 0.70 0.00 0.00 55.95 57.17 1xp3 s SER 219 Cb -0.06 -0.12 0.96 0.00 -1.71 0.00 0.00 66.02 65.10 1xp3 s SER 219 CO 0.50 0.05 1.81 0.29 1.20 0.00 0.00 173.24 177.09 1xp3 n LYS 220 N 1.95 0.14 -4.35 5.44 5.02 -0.00 -0.79 118.16 125.58 1xp3 n LYS 220 Ca -0.18 0.11 -0.18 0.00 -2.02 0.00 0.00 58.31 56.04 1xp3 n LYS 220 Cb 0.55 -1.66 -0.10 0.00 -0.02 0.00 0.00 35.03 33.80 1xp3 n LYS 220 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1xp3 s ASN 221 N -3.80 2.23 0.94 4.39 -0.87 -1.26 -4.83 114.94 111.75 1xp3 s ASN 221 Ca 0.12 -1.14 -0.11 0.00 -1.57 0.00 0.00 52.86 50.16 1xp3 s ASN 221 Cb 0.15 -0.07 0.16 0.00 -0.02 0.00 0.00 41.25 41.47 1xp3 s ASN 221 CO 0.58 -0.37 1.11 0.68 -2.57 0.00 0.00 177.10 176.53 1xp3 s VAL 222 N -3.21 2.26 0.33 1.60 -7.23 -1.26 -4.62 120.40 108.27 1xp3 s VAL 222 Ca 0.26 0.08 -0.28 0.00 -1.81 0.00 0.00 61.98 60.23 1xp3 s VAL 222 Cb 0.03 -2.20 -0.13 0.00 0.56 0.00 0.00 36.38 34.64 1xp3 s VAL 222 CO 0.08 -0.11 1.19 -1.14 -0.31 0.00 0.00 175.10 174.82 1xp3 n ARG 223 N -4.26 1.86 -0.98 4.82 0.63 -1.26 -2.26 116.66 115.21 1xp3 n ARG 223 Ca 0.09 0.65 0.00 0.00 -0.92 0.00 0.00 57.85 57.68 1xp3 n ARG 223 Cb 0.53 -2.17 0.00 0.00 0.45 0.00 0.00 32.46 31.27 1xp3 n ARG 223 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1xp3 n GLY 224 N 0.92 0.95 0.22 5.14 0.00 -0.86 -4.90 105.19 106.66 1xp3 n GLY 224 Ca 0.06 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.17 1xp3 n GLY 224 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xp3 h ALA 225 N 0.00 1.20 -5.68 4.61 0.00 -1.03 -3.45 119.26 114.91 1xp3 h ALA 225 Ca 0.00 -0.23 -0.38 0.00 0.00 0.00 0.00 54.91 54.30 1xp3 h ALA 225 Cb 0.00 -0.04 0.14 0.00 0.00 0.00 0.00 17.79 17.89 1xp3 h ALA 225 CO 0.00 0.31 -0.67 0.41 0.00 0.00 0.00 179.25 179.30 1xp3 n GLY 226 N -0.30 -0.48 0.00 0.00 0.00 0.15 -4.92 105.19 99.63 1xp3 n GLY 226 Ca -0.01 0.21 0.04 0.00 0.00 0.00 0.00 46.02 46.26 1xp3 n GLY 226 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xp3 n LYS 227 N -4.79 2.68 -4.05 1.61 5.02 -1.26 -3.79 118.16 113.58 1xp3 n LYS 227 Ca -0.02 -0.03 -0.36 0.00 -2.02 0.00 0.00 58.31 55.87 1xp3 n LYS 227 Cb 0.57 -1.01 -0.01 0.00 -0.02 0.00 0.00 35.03 34.55 1xp3 n LYS 227 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1xp3 n ASP 228 N -1.43 -2.32 -4.17 4.39 4.64 -1.26 -4.96 116.55 111.43 1xp3 n ASP 228 Ca 0.00 -1.19 -0.36 0.00 -1.38 0.00 0.00 54.79 51.86 1xp3 n ASP 228 Cb 0.16 -2.20 -0.13 0.00 -1.04 0.00 0.00 41.12 37.91 1xp3 n ASP 228 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 1xp3 s ARG 229 N -7.01 2.34 0.52 -0.67 0.52 -1.26 -5.10 118.95 108.28 1xp3 s ARG 229 Ca 0.27 -1.40 -0.19 0.00 -0.52 0.00 0.00 55.73 53.89 1xp3 s ARG 229 Cb -0.13 -3.32 -0.07 0.00 0.52 0.00 0.00 34.95 31.94 1xp3 s ARG 229 CO 0.95 -0.74 1.06 -1.01 0.02 0.00 0.00 175.30 175.57 1xp3 s HIS 230 N 1.24 2.92 0.12 -0.53 3.76 -1.26 -0.82 115.29 120.71 1xp3 s HIS 230 Ca -0.01 1.56 0.03 0.00 -0.15 0.00 0.00 55.06 56.49 1xp3 s HIS 230 Cb -0.20 -3.11 -0.04 0.00 1.11 0.00 0.00 32.58 30.34 1xp3 s HIS 230 CO -0.01 -1.05 -0.08 -2.00 -0.85 0.00 0.00 174.74 170.74 1xp3 s GLU 231 N -3.39 0.93 0.54 1.40 2.56 0.89 -4.58 118.70 117.04 1xp3 s GLU 231 Ca 0.68 -1.37 -0.21 0.00 0.00 0.00 0.00 54.97 54.06 1xp3 s GLU 231 Cb -0.18 -0.41 -0.05 0.00 2.00 0.00 0.00 34.13 35.49 1xp3 s GLU 231 CO 0.24 0.03 1.31 -0.80 -0.56 0.00 0.00 175.26 175.48 1xp3 s ASN 232 N -3.05 5.39 -0.03 -1.70 0.01 -1.26 -2.04 114.94 112.27 1xp3 s ASN 232 Ca 0.13 2.64 -0.30 0.00 -0.71 0.00 0.00 52.86 54.63 1xp3 s ASN 232 Cb 0.03 -2.63 -0.08 0.00 0.41 0.00 0.00 41.25 38.99 1xp3 s ASN 232 CO -0.02 -1.47 1.98 -0.63 -1.51 0.00 0.00 177.10 175.44 1xp3 s ILE 233 N -1.38 3.09 0.00 0.60 -1.09 -1.26 -1.78 121.20 119.38 1xp3 s ILE 233 Ca 0.71 0.10 0.00 0.00 -2.23 0.00 0.00 60.65 59.24 1xp3 s ILE 233 Cb -0.37 -3.08 0.00 0.00 -1.58 0.00 0.00 42.46 37.43 1xp3 s ILE 233 CO 0.44 -0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.74 1xp3 n GLY 234 N 4.74 2.17 1.16 6.18 0.00 -1.26 -4.87 105.19 113.31 1xp3 n GLY 234 Ca 0.21 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.35 1xp3 n GLY 234 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1xp3 n PHE 235 N -2.00 0.59 -2.52 1.61 3.01 -0.73 -4.28 117.46 113.14 1xp3 n PHE 235 Ca 0.00 -0.30 0.00 0.00 1.01 0.00 0.00 57.45 58.16 1xp3 n PHE 235 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 1xp3 n PHE 235 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xp3 n GLY 236 N 1.52 4.14 0.12 1.37 0.00 -1.25 -4.93 105.19 106.16 1xp3 n GLY 236 Ca 0.20 -2.05 0.13 0.00 0.00 0.00 0.00 46.02 44.30 1xp3 n GLY 236 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1xp3 h HIS 237 N 0.05 0.00 0.07 1.61 3.86 -1.22 -3.31 115.15 116.21 1xp3 h HIS 237 Ca 0.00 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.06 1xp3 h HIS 237 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1xp3 h HIS 237 CO 0.00 0.00 -0.76 0.82 0.86 0.00 0.00 177.93 178.85 1xp3 h ILE 238 N 0.00 1.40 0.00 2.45 2.04 -1.89 -3.49 117.51 118.02 1xp3 h ILE 238 Ca 0.00 -2.39 0.00 0.00 1.00 0.00 0.00 64.86 63.47 1xp3 h ILE 238 Cb 0.78 3.00 0.00 0.00 -0.74 0.00 0.00 36.82 39.86 1xp3 h ILE 238 CO 0.00 0.62 0.00 0.61 0.00 0.00 0.00 178.15 179.38 1xp3 n GLY 239 N 1.63 -1.30 0.26 5.37 0.00 -1.25 -4.44 105.19 105.47 1xp3 n GLY 239 Ca -0.18 -1.59 -0.09 0.00 0.00 0.00 0.00 46.02 44.16 1xp3 n GLY 239 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1xp3 h TYR 240 N 0.00 0.97 -0.47 1.61 5.03 -1.90 -2.55 116.97 119.66 1xp3 h TYR 240 Ca 0.00 -0.15 0.05 0.00 2.58 0.00 0.00 58.73 61.21 1xp3 h TYR 240 Cb 0.00 -0.26 -0.05 0.00 1.55 0.00 0.00 36.73 37.98 1xp3 h TYR 240 CO 0.00 0.88 0.21 -0.22 -1.32 0.00 0.00 178.16 177.71 1xp3 h LYS 241 N 0.77 0.40 -0.13 1.82 3.64 -1.97 0.32 116.57 121.43 1xp3 h LYS 241 Ca 0.15 -0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.35 1xp3 h LYS 241 Cb 0.47 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 32.21 1xp3 h LYS 241 CO 0.02 0.27 -0.54 0.00 -2.27 0.00 0.00 179.45 176.93 1xp3 h ALA 242 N 1.28 0.24 -0.45 5.00 0.00 -1.76 0.49 119.26 124.06 1xp3 h ALA 242 Ca 0.22 -0.51 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 1xp3 h ALA 242 Cb 0.17 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1xp3 h ALA 242 CO -0.18 0.45 -0.16 -0.07 0.00 0.00 0.00 179.25 179.29 1xp3 h LEU 243 N 0.24 0.87 -0.63 0.00 3.38 -1.22 -2.07 115.31 115.88 1xp3 h LEU 243 Ca -0.03 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 57.60 1xp3 h LEU 243 Cb 1.17 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.66 1xp3 h LEU 243 CO 0.11 1.02 0.22 -0.74 0.09 0.00 0.00 178.44 179.14 1xp3 h HIS 244 N 0.77 0.99 -0.62 1.13 2.76 -0.16 -0.31 115.15 119.71 1xp3 h HIS 244 Ca 0.12 -0.09 -0.03 0.00 -2.20 0.00 0.00 60.37 58.17 1xp3 h HIS 244 Cb 0.68 -0.29 -0.03 0.00 1.55 0.00 0.00 27.41 29.32 1xp3 h HIS 244 CO 0.04 0.80 0.26 1.25 -1.30 0.00 0.00 177.93 178.99 1xp3 h HIS 245 N 0.90 0.89 -0.07 5.26 -0.00 -0.63 -1.59 115.15 119.90 1xp3 h HIS 245 Ca 0.21 -0.04 -0.03 0.00 -0.00 0.00 0.00 60.37 60.51 1xp3 h HIS 245 Cb 0.26 -0.28 -0.00 0.00 -0.00 0.00 0.00 27.41 27.39 1xp3 h HIS 245 CO 0.02 0.67 -0.06 0.82 -0.00 0.00 0.00 177.93 179.38 1xp3 h ILE 246 N 0.88 1.37 -0.42 6.26 2.04 -0.97 -2.02 117.51 124.65 1xp3 h ILE 246 Ca 0.21 -1.21 0.07 0.00 1.00 0.00 0.00 64.86 64.93 1xp3 h ILE 246 Cb 0.14 2.03 -0.06 0.00 -0.74 0.00 0.00 36.82 38.19 1xp3 h ILE 246 CO -0.02 0.33 0.04 0.58 0.00 0.00 0.00 178.15 179.08 1xp3 h VAL 247 N -0.28 0.72 -0.41 1.67 2.07 -0.76 -1.78 116.25 117.47 1xp3 h VAL 247 Ca 0.01 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1xp3 h VAL 247 Cb 0.57 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1xp3 h VAL 247 CO 0.02 0.03 0.00 1.41 0.02 0.00 0.00 177.57 179.04 1xp3 n HIS 248 N -5.16 1.29 -1.74 1.57 8.25 -0.63 -4.88 115.22 113.92 1xp3 n HIS 248 Ca 0.03 -0.47 -0.42 0.00 -0.26 0.00 0.00 57.72 56.61 1xp3 n HIS 248 Cb 0.21 -0.31 -0.02 0.00 1.12 0.00 0.00 29.99 31.00 1xp3 n HIS 248 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1xp3 n HIS 249 N 0.53 2.83 -0.17 4.41 -0.00 -0.67 -4.91 115.22 117.25 1xp3 n HIS 249 Ca 0.19 0.27 -0.03 0.00 -0.00 0.00 0.00 57.72 58.14 1xp3 n HIS 249 Cb 0.81 -2.59 0.17 0.00 -0.00 0.00 0.00 29.99 28.38 1xp3 n HIS 249 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1xp3 h PRO 250 N 4.68 0.91 0.00 1.57 0.13 -1.91 -1.87 132.00 135.51 1xp3 h PRO 250 Ca -0.47 -0.18 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 1xp3 h PRO 250 Cb 1.23 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1xp3 h PRO 250 CO 0.78 0.79 0.00 1.04 -0.23 0.00 0.00 178.00 180.38 1xp3 n GLN 251 N -4.28 0.01 -0.09 0.86 6.02 -1.26 -3.95 117.38 114.69 1xp3 n GLN 251 Ca 0.05 0.24 0.09 0.00 -0.01 0.00 0.00 57.00 57.36 1xp3 n GLN 251 Cb 0.21 -1.50 0.14 0.00 1.02 0.00 0.00 30.24 30.11 1xp3 n GLN 251 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1xp3 n LEU 252 N -1.49 2.44 -0.33 1.08 4.77 -0.71 -4.78 117.00 117.98 1xp3 n LEU 252 Ca 0.04 -2.97 0.01 0.00 -0.03 0.00 0.00 56.01 53.06 1xp3 n LEU 252 Cb 0.18 -0.39 0.18 0.00 -2.33 0.00 0.00 43.42 41.05 1xp3 n LEU 252 CO 0.14 0.69 1.27 0.71 -1.33 0.00 0.00 177.39 178.87 1xp3 h THR 253 N 0.16 1.17 -0.00 -5.08 1.35 -1.67 -2.13 112.91 106.70 1xp3 h THR 253 Ca 0.00 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 1xp3 h THR 253 Cb 0.98 -0.12 0.00 0.00 -1.73 0.00 0.00 68.15 67.29 1xp3 h THR 253 CO 0.02 0.22 -0.10 1.41 -0.25 0.00 0.00 175.52 176.82 1xp3 n HIS 254 N -4.44 0.00 -3.48 4.73 8.25 -1.26 -4.41 115.22 114.61 1xp3 n HIS 254 Ca 0.12 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.22 1xp3 n HIS 254 Cb 0.09 -0.15 -0.07 0.00 1.12 0.00 0.00 29.99 30.99 1xp3 n HIS 254 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1xp3 s VAL 255 N -2.39 5.27 0.13 1.59 0.11 -0.80 -5.00 120.40 119.30 1xp3 s VAL 255 Ca 0.31 0.66 -0.31 0.00 -2.93 0.00 0.00 61.98 59.71 1xp3 s VAL 255 Cb 0.20 -3.68 -0.08 0.00 -1.53 0.00 0.00 36.38 31.29 1xp3 s VAL 255 CO 0.45 0.38 1.44 -2.16 -3.33 0.00 0.00 175.10 171.88 1xp3 s PRO 256 N 0.47 4.29 -0.26 1.54 0.04 -1.26 -4.65 135.00 135.17 1xp3 s PRO 256 Ca 0.19 2.15 -0.09 0.00 0.04 0.00 0.00 61.00 63.30 1xp3 s PRO 256 Cb -0.14 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.13 1xp3 s PRO 256 CO 0.06 -0.49 0.12 0.15 0.04 0.00 0.00 177.00 176.88 1xp3 s LYS 257 N 1.16 3.82 -0.21 4.56 3.01 0.02 -1.64 119.74 130.46 1xp3 s LYS 257 Ca 0.66 -0.39 -0.02 0.00 -1.01 0.00 0.00 55.97 55.20 1xp3 s LYS 257 Cb -0.39 -3.46 0.00 0.00 -1.01 0.00 0.00 37.83 32.98 1xp3 s LYS 257 CO 0.30 -0.14 -0.08 0.42 0.51 0.00 0.00 175.35 176.36 1xp3 s ILE 258 N 1.55 3.00 0.11 2.17 -1.09 0.16 -0.74 121.20 126.36 1xp3 s ILE 258 Ca 0.06 -0.65 -0.30 0.00 -2.23 0.00 0.00 60.65 57.53 1xp3 s ILE 258 Cb -0.15 -2.36 -0.06 0.00 -1.58 0.00 0.00 42.46 38.31 1xp3 s ILE 258 CO 0.06 0.43 1.09 -0.76 -1.23 0.00 0.00 174.94 174.54 1xp3 s LEU 259 N 1.42 4.44 -0.29 2.97 1.43 -0.08 -0.76 118.68 127.81 1xp3 s LEU 259 Ca 0.05 1.98 0.10 0.00 -1.03 0.00 0.00 54.13 55.23 1xp3 s LEU 259 Cb -0.14 -3.59 0.47 0.00 0.03 0.00 0.00 46.19 42.96 1xp3 s LEU 259 CO -0.06 -0.27 1.16 -0.62 0.23 0.00 0.00 176.35 176.79 1xp3 n GLU 260 N 3.04 3.18 -1.83 1.70 1.02 -1.25 -2.16 120.64 124.34 1xp3 n GLU 260 Ca 0.05 -4.04 -0.31 0.00 -0.02 0.00 0.00 57.16 52.83 1xp3 n GLU 260 Cb 0.47 -2.12 0.02 0.00 -0.02 0.00 0.00 31.44 29.79 1xp3 n GLU 260 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1xp3 s THR 261 N -4.48 4.39 0.31 2.62 -4.23 -1.26 -4.91 115.64 108.07 1xp3 s THR 261 Ca 0.46 0.84 -0.25 0.00 -1.18 0.00 0.00 61.69 61.55 1xp3 s THR 261 Cb 0.39 -3.66 -0.10 0.00 1.34 0.00 0.00 72.50 70.48 1xp3 s THR 261 CO 0.01 -0.95 0.91 -2.16 -0.54 0.00 0.00 174.62 171.89 1xp3 s PRO 262 N -4.94 4.54 0.97 3.99 0.04 -1.26 -4.88 135.00 133.47 1xp3 s PRO 262 Ca 0.57 1.27 -0.11 0.00 0.04 0.00 0.00 61.00 62.77 1xp3 s PRO 262 Cb -0.12 -2.83 0.17 0.00 0.04 0.00 0.00 34.50 31.76 1xp3 s PRO 262 CO 0.51 0.30 1.08 0.66 0.04 0.00 0.00 177.00 179.59 1xp3 n TYR 263 N 0.61 0.36 -4.71 0.56 4.02 -1.26 -4.52 117.16 112.22 1xp3 n TYR 263 Ca 0.01 0.29 -0.27 0.00 -0.01 0.00 0.00 57.90 57.93 1xp3 n TYR 263 Cb 0.50 -1.93 -0.14 0.00 -0.02 0.00 0.00 39.34 37.74 1xp3 n TYR 263 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1xp3 s VAL 264 N -2.58 1.84 0.00 -0.72 1.01 0.74 -4.84 120.40 115.84 1xp3 s VAL 264 Ca 0.67 -1.29 0.00 0.00 0.00 0.00 0.00 61.98 61.36 1xp3 s VAL 264 Cb -0.23 -1.59 0.00 0.00 0.00 0.00 0.00 36.38 34.56 1xp3 s VAL 264 CO 0.60 0.25 0.00 0.61 0.00 0.00 0.00 175.10 176.56 1xp3 n GLY 265 N 1.78 -0.25 3.75 4.51 0.00 -1.26 0.86 105.19 114.59 1xp3 n GLY 265 Ca -0.17 0.13 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 1xp3 n GLY 265 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1xp3 s GLU 266 N 0.00 3.04 0.00 1.61 4.04 -1.26 -3.40 118.70 122.73 1xp3 s GLU 266 Ca 0.00 1.85 0.00 0.00 0.04 0.00 0.00 54.97 56.86 1xp3 s GLU 266 Cb 0.00 -1.98 0.00 0.00 0.02 0.00 0.00 34.13 32.17 1xp3 s GLU 266 CO 0.00 -1.16 0.03 -0.40 -1.84 0.00 0.00 175.26 171.89 1xp3 n ASP 267 N -1.47 0.05 0.00 0.83 5.75 -1.26 -4.46 116.55 115.98 1xp3 n ASP 267 Ca 0.13 -0.96 0.00 0.00 -0.01 0.00 0.00 54.79 53.95 1xp3 n ASP 267 Cb 0.49 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.58 1xp3 n ASP 267 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1xp3 n LYS 268 N -0.00 3.75 -3.95 0.11 4.76 -1.26 -4.93 118.16 116.65 1xp3 n LYS 268 Ca 0.00 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.22 1xp3 n LYS 268 Cb 0.23 -0.58 -0.04 0.00 -1.84 0.00 0.00 35.03 32.80 1xp3 n LYS 268 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1xp3 s LYS 269 N -1.07 2.79 0.00 1.97 1.02 -1.26 -5.10 119.74 118.09 1xp3 s LYS 269 Ca 0.00 -1.21 0.00 0.00 0.02 0.00 0.00 55.97 54.78 1xp3 s LYS 269 Cb 0.00 -2.50 0.00 0.00 -0.52 0.00 0.00 37.83 34.81 1xp3 s LYS 269 CO 0.00 0.22 0.00 -3.47 -0.92 0.00 0.00 175.35 171.18 1xp3 n ASP 270 N -1.28 -0.33 0.00 2.83 2.03 -1.22 -4.23 116.55 114.36 1xp3 n ASP 270 Ca -0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.27 1xp3 n ASP 270 Cb 0.59 -0.16 0.00 0.00 -0.72 0.00 0.00 41.12 40.83 1xp3 n ASP 270 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1xp3 n LYS 271 N -0.10 0.00 -4.55 -0.67 3.00 -1.26 -5.04 118.16 109.56 1xp3 n LYS 271 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 58.31 57.97 1xp3 n LYS 271 Cb 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 35.03 34.93 1xp3 n LYS 271 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1xp3 s LYS 272 N 0.00 2.90 0.18 1.64 3.01 0.25 -4.77 119.74 122.95 1xp3 s LYS 272 Ca 0.00 -0.51 -0.30 0.00 -1.01 0.00 0.00 55.97 54.14 1xp3 s LYS 272 Cb 0.00 -2.67 -0.09 0.00 -1.01 0.00 0.00 37.83 34.06 1xp3 s LYS 272 CO 0.00 0.63 1.33 -1.25 0.51 0.00 0.00 175.35 176.57 1xp3 s PRO 273 N -0.70 4.37 0.00 -1.68 0.04 -1.26 -0.19 135.00 135.58 1xp3 s PRO 273 Ca 0.11 2.06 0.27 0.00 0.04 0.00 0.00 61.00 63.48 1xp3 s PRO 273 Cb -0.11 -3.21 0.95 0.00 0.04 0.00 0.00 34.50 32.17 1xp3 s PRO 273 CO 0.02 -0.31 1.69 -0.35 0.04 0.00 0.00 177.00 178.10 1xp3 n PRO 274 N 2.97 0.60 0.05 0.56 -0.04 -1.26 -4.62 135.00 133.26 1xp3 n PRO 274 Ca 0.08 -0.28 -0.13 0.00 -0.04 0.00 0.00 63.50 63.13 1xp3 n PRO 274 Cb 0.43 -1.49 -0.08 0.00 -0.04 0.00 0.00 33.50 32.31 1xp3 n PRO 274 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1xp3 h TYR 275 N 0.69 -0.07 -0.40 0.54 0.99 -1.94 -1.02 116.97 115.75 1xp3 h TYR 275 Ca 0.00 -0.00 0.08 0.00 2.00 0.00 0.00 58.73 60.81 1xp3 h TYR 275 Cb 0.44 0.02 -0.09 0.00 1.00 0.00 0.00 36.73 38.10 1xp3 h TYR 275 CO 0.00 0.13 -0.29 -0.22 -0.00 0.00 0.00 178.16 177.77 1xp3 h LYS 276 N -0.27 -0.21 -0.17 4.88 3.64 -1.82 -0.22 116.57 122.40 1xp3 h LYS 276 Ca -0.01 0.01 -0.20 0.00 -1.27 0.00 0.00 60.65 59.19 1xp3 h LYS 276 Cb 0.24 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1xp3 h LYS 276 CO 0.01 -0.14 -0.68 -0.07 -2.27 0.00 0.00 179.45 176.30 1xp3 h LEU 277 N -0.22 0.80 -0.21 5.20 3.38 -1.84 -2.48 115.31 119.94 1xp3 h LEU 277 Ca 0.18 -0.49 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 1xp3 h LEU 277 Cb 0.52 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1xp3 h LEU 277 CO -0.53 1.26 0.12 -0.33 0.09 0.00 0.00 178.44 179.06 1xp3 h GLU 278 N 0.50 0.28 -0.50 1.13 5.08 -0.92 -0.66 114.58 119.48 1xp3 h GLU 278 Ca -0.02 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.36 1xp3 h GLU 278 Cb 1.28 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 30.42 1xp3 h GLU 278 CO 0.14 0.24 0.22 0.82 -1.00 0.00 0.00 179.01 179.43 1xp3 h ILE 279 N 0.24 0.89 -0.14 3.13 2.04 -0.96 -0.67 117.51 122.05 1xp3 h ILE 279 Ca 0.07 -0.15 -0.16 0.00 1.00 0.00 0.00 64.86 65.62 1xp3 h ILE 279 Cb 0.04 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 1xp3 h ILE 279 CO -0.01 0.08 -0.60 1.05 0.00 0.00 0.00 178.15 178.67 1xp3 h GLU 280 N 0.43 0.47 -0.60 2.37 4.11 -1.28 -1.48 114.58 118.60 1xp3 h GLU 280 Ca 0.23 -0.32 -0.03 0.00 0.07 0.00 0.00 59.36 59.31 1xp3 h GLU 280 Cb 0.20 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 1xp3 h GLU 280 CO -0.20 0.93 0.24 1.98 0.07 0.00 0.00 179.01 182.02 1xp3 h MET 281 N 0.35 0.87 0.00 1.06 4.05 -0.64 0.69 114.93 121.32 1xp3 h MET 281 Ca -0.00 -0.14 -0.15 0.00 -0.28 0.00 0.00 59.70 59.13 1xp3 h MET 281 Cb 1.14 -0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 31.77 1xp3 h MET 281 CO 0.11 0.72 -0.70 -0.07 0.23 0.00 0.00 176.91 177.20 1xp3 h LEU 282 N 0.86 0.00 -0.32 3.39 3.38 -0.82 -2.71 115.31 119.09 1xp3 h LEU 282 Ca 0.20 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.10 1xp3 h LEU 282 Cb 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1xp3 h LEU 282 CO -0.02 0.70 -0.10 0.11 0.09 0.00 0.00 178.44 179.22 1xp3 h LYS 283 N 0.00 0.63 0.00 1.13 1.57 -0.72 -3.28 116.57 115.91 1xp3 h LYS 283 Ca -0.01 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1xp3 h LYS 283 Cb 1.34 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.62 1xp3 h LYS 283 CO 0.09 0.83 0.00 -0.91 -0.57 0.00 0.00 179.45 178.89 1xp3 h ASN 284 N 0.40 0.00 0.00 0.86 -0.26 -0.68 -3.47 115.58 112.44 1xp3 h ASN 284 Ca 0.08 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.82 1xp3 h ASN 284 Cb 0.61 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.87 1xp3 h ASN 284 CO 0.04 0.00 0.00 0.61 -1.06 0.00 0.00 177.43 177.02 1xp3 n GLY 285 N -0.35 0.36 2.97 2.83 0.00 -1.04 -5.01 105.19 104.95 1xp3 n GLY 285 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1xp3 n GLY 285 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1xp3 s THR 286 N -1.73 0.48 0.09 2.61 -1.32 -1.25 -5.10 115.64 109.42 1xp3 s THR 286 Ca 0.00 -0.25 -0.31 0.00 -1.21 0.00 0.00 61.69 59.92 1xp3 s THR 286 Cb 0.00 -0.41 -0.07 0.00 -1.51 0.00 0.00 72.50 70.51 1xp3 s THR 286 CO 0.00 0.14 1.37 0.12 -2.21 0.00 0.00 174.62 174.04 1xp3 s PHE 287 N -0.08 3.21 -0.73 9.09 5.99 -1.26 -4.86 117.98 129.33 1xp3 s PHE 287 Ca 0.02 0.96 -0.09 0.00 0.00 0.00 0.00 56.93 57.82 1xp3 s PHE 287 Cb -0.03 -3.66 0.19 0.00 0.00 0.00 0.00 43.02 39.52 1xp3 s PHE 287 CO -0.00 -2.30 0.61 0.34 -0.00 0.00 0.00 175.22 173.87 1xp3 s ASP 288 N 1.21 6.09 0.47 6.13 3.68 -1.26 -4.92 116.67 128.08 1xp3 s ASP 288 Ca 0.64 -2.71 0.35 0.00 2.13 0.00 0.00 52.55 52.96 1xp3 s ASP 288 Cb -0.35 -2.06 1.51 0.00 -1.45 0.00 0.00 42.92 40.57 1xp3 s ASP 288 CO 0.30 -0.50 1.61 -0.08 0.13 0.00 0.00 175.17 176.63 1xp3 h GLU 289 N 7.52 0.05 -0.64 4.34 4.57 -2.00 0.18 114.58 128.60 1xp3 h GLU 289 Ca 0.04 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1xp3 h GLU 289 Cb 1.01 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.59 1xp3 h GLU 289 CO 0.75 0.03 0.00 0.41 -1.18 0.00 0.00 179.01 179.02 1xp3 n GLY 290 N -1.62 2.81 0.35 1.92 0.00 -1.26 -4.59 105.19 102.80 1xp3 n GLY 290 Ca 0.39 -0.88 0.03 0.00 0.00 0.00 0.00 46.02 45.56 1xp3 n GLY 290 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xp3 h LEU 291 N 4.14 0.78 -0.76 0.99 5.85 -1.06 -1.78 115.31 123.47 1xp3 h LEU 291 Ca 0.00 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 1xp3 h LEU 291 Cb 1.64 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.46 1xp3 h LEU 291 CO 0.32 0.54 0.26 -0.07 -0.34 0.00 0.00 178.44 179.14 1xp3 h LEU 292 N 0.90 1.09 -0.72 2.25 3.38 -1.81 0.57 115.31 120.97 1xp3 h LEU 292 Ca 0.30 -0.20 -0.14 0.00 0.09 0.00 0.00 57.88 57.93 1xp3 h LEU 292 Cb 0.05 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1xp3 h LEU 292 CO -0.08 0.99 -0.58 -0.33 0.09 0.00 0.00 178.44 178.53 1xp3 h GLU 293 N 1.12 0.20 -0.48 1.13 4.39 -1.72 -2.45 114.58 116.76 1xp3 h GLU 293 Ca 0.25 -0.13 -0.10 0.00 0.34 0.00 0.00 59.36 59.71 1xp3 h GLU 293 Cb 0.28 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.93 1xp3 h GLU 293 CO -0.01 0.72 -0.10 0.87 -1.16 0.00 0.00 179.01 179.33 1xp3 h LYS 294 N 0.15 0.92 -0.64 2.33 1.57 -1.12 -3.15 116.57 116.63 1xp3 h LYS 294 Ca -0.00 -0.35 0.04 0.00 -1.87 0.00 0.00 60.65 58.47 1xp3 h LYS 294 Cb 1.06 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 33.28 1xp3 h LYS 294 CO 0.09 1.00 0.42 0.82 -0.57 0.00 0.00 179.45 181.21 1xp3 h ILE 295 N 0.77 1.08 0.00 1.86 2.04 -0.66 -2.76 117.51 119.84 1xp3 h ILE 295 Ca 0.12 -0.26 -0.05 0.00 1.00 0.00 0.00 64.86 65.67 1xp3 h ILE 295 Cb 0.65 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 1xp3 h ILE 295 CO 0.05 0.14 -0.25 0.11 0.00 0.00 0.00 178.15 178.19 1xp3 h LYS 296 N 0.75 0.00 -5.45 2.37 1.57 -1.40 -3.41 116.57 110.99 1xp3 h LYS 296 Ca 0.26 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 58.39 1xp3 h LYS 296 Cb 0.09 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 32.18 1xp3 h LYS 296 CO -0.07 0.25 -0.68 0.00 -0.57 0.00 0.00 179.45 178.37 1xp3 s ALA 297 N -4.23 2.95 0.00 3.86 0.00 -1.04 -5.03 121.76 118.27 1xp3 s ALA 297 Ca -0.03 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.09 1xp3 s ALA 297 Cb 0.14 -1.45 0.00 0.00 0.00 0.00 0.00 23.12 21.81 1xp3 s ALA 297 CO 0.67 0.29 0.00 0.00 0.00 0.00 0.00 175.76 176.72