#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xzv s LEU 2 N 0.00 4.25 0.64 3.17 1.43 -1.26 -5.06 118.68 121.85 1xzv s LEU 2 Ca 0.00 1.21 -0.06 0.00 -1.03 0.00 0.00 54.13 54.25 1xzv s LEU 2 Cb 0.00 -3.19 0.03 0.00 0.03 0.00 0.00 46.19 43.06 1xzv s LEU 2 CO 0.00 -0.27 0.95 -0.94 0.23 0.00 0.00 176.35 176.32 1xzv s SER 3 N 1.00 5.22 0.27 2.29 1.04 -1.26 -4.86 113.70 117.40 1xzv s SER 3 Ca 0.39 0.57 -0.01 0.00 0.48 0.00 0.00 55.95 57.38 1xzv s SER 3 Cb -0.17 -1.40 0.49 0.00 0.10 0.00 0.00 66.02 65.04 1xzv s SER 3 CO 0.16 -1.31 1.82 -0.65 0.98 0.00 0.00 173.24 174.23 1xzv h PRO 4 N -0.37 0.85 0.05 4.02 0.11 -1.99 -0.23 132.00 134.43 1xzv h PRO 4 Ca -0.45 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 65.62 1xzv h PRO 4 Cb 1.29 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1xzv h PRO 4 CO 0.60 0.56 -0.07 0.00 -0.21 0.00 0.00 178.00 178.89 1xzv h ALA 5 N 1.51 -0.11 -0.57 -0.75 0.00 -2.00 -1.11 119.26 116.23 1xzv h ALA 5 Ca 0.46 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.47 1xzv h ALA 5 Cb 0.47 0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.27 1xzv h ALA 5 CO -0.27 -0.57 0.08 -0.44 0.00 0.00 0.00 179.25 178.04 1xzv h ASP 6 N -0.14 -0.09 -0.76 0.00 3.32 -1.65 0.88 116.42 117.97 1xzv h ASP 6 Ca 0.01 0.12 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 1xzv h ASP 6 Cb 0.15 0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 1xzv h ASP 6 CO -0.03 -0.03 0.35 0.11 -1.72 0.00 0.00 179.24 177.91 1xzv h LYS 7 N 0.20 1.11 -0.59 3.56 1.57 -0.37 0.15 116.57 122.21 1xzv h LYS 7 Ca 0.30 -0.18 -0.08 0.00 -1.87 0.00 0.00 60.65 58.82 1xzv h LYS 7 Cb 0.45 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 1xzv h LYS 7 CO -0.42 0.88 0.04 1.15 -0.57 0.00 0.00 179.45 180.53 1xzv h THR 8 N 1.09 1.26 -0.15 -0.16 2.02 -0.80 -1.11 112.91 115.06 1xzv h THR 8 Ca 0.26 -1.08 0.00 0.00 0.77 0.00 0.00 66.41 66.36 1xzv h THR 8 Cb 0.15 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 1xzv h THR 8 CO -0.03 0.39 0.09 0.78 0.37 0.00 0.00 175.52 177.12 1xzv h ASN 9 N 0.90 0.15 -0.49 4.18 -0.26 -0.22 -0.65 115.58 119.19 1xzv h ASN 9 Ca 0.17 -0.00 -0.11 0.00 -0.56 0.00 0.00 56.30 55.80 1xzv h ASN 9 Cb 0.50 -0.03 -0.02 0.00 -1.06 0.00 0.00 38.32 37.71 1xzv h ASN 9 CO 0.02 0.11 -0.11 0.58 -1.06 0.00 0.00 177.43 176.98 1xzv h VAL 10 N 0.19 1.27 -0.46 2.81 2.07 -0.58 -1.35 116.25 120.20 1xzv h VAL 10 Ca 0.06 -1.24 -0.09 0.00 0.82 0.00 0.00 66.70 66.24 1xzv h VAL 10 Cb -0.01 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 1xzv h VAL 10 CO -0.02 0.43 -0.09 0.11 0.02 0.00 0.00 177.57 178.02 1xzv h LYS 11 N 0.79 0.82 0.73 1.57 1.57 -1.13 0.08 116.57 121.00 1xzv h LYS 11 Ca 0.13 -0.26 -0.04 0.00 -1.87 0.00 0.00 60.65 58.61 1xzv h LYS 11 Cb 0.66 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.91 1xzv h LYS 11 CO 0.05 0.88 -0.35 0.00 -0.57 0.00 0.00 179.45 179.45 1xzv h ALA 12 N 1.16 -0.98 -0.45 3.86 0.00 -1.00 0.33 119.26 122.18 1xzv h ALA 12 Ca 0.13 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1xzv h ALA 12 Cb 0.58 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1xzv h ALA 12 CO 0.04 -0.94 0.24 0.00 0.00 0.00 0.00 179.25 178.58 1xzv h ALA 13 N -1.11 0.58 -0.16 0.00 0.00 -1.26 -2.09 119.26 115.23 1xzv h ALA 13 Ca -0.10 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 1xzv h ALA 13 Cb 0.77 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1xzv h ALA 13 CO 0.16 0.11 -0.21 2.35 0.00 0.00 0.00 179.25 181.66 1xzv h TRP 14 N 0.59 0.30 -0.50 0.00 2.91 -1.02 -2.37 115.95 115.86 1xzv h TRP 14 Ca 0.16 -0.05 0.07 0.00 1.13 0.00 0.00 58.89 60.21 1xzv h TRP 14 Cb 0.07 -0.08 -0.06 0.00 -0.51 0.00 0.00 29.16 28.58 1xzv h TRP 14 CO -0.02 0.48 0.15 0.78 -1.03 0.00 0.00 178.44 178.80 1xzv h GLY 15 N 0.92 0.65 1.60 2.65 0.00 0.36 -1.60 103.07 107.64 1xzv h GLY 15 Ca 0.04 -0.07 -0.06 0.00 0.00 0.00 0.00 47.33 47.24 1xzv h GLY 15 CO 0.04 -0.02 -0.09 0.50 0.00 0.00 0.00 176.54 176.96 1xzv h LYS 16 N 0.31 0.49 -0.61 4.80 1.79 -1.07 -2.60 116.57 119.68 1xzv h LYS 16 Ca 0.24 -0.13 0.07 0.00 -2.18 0.00 0.00 60.65 58.66 1xzv h LYS 16 Cb 0.29 -0.06 -0.06 0.00 -1.58 0.00 0.00 32.23 30.82 1xzv h LYS 16 CO -0.27 0.58 0.29 0.28 -1.08 0.00 0.00 179.45 179.25 1xzv h VAL 17 N 0.46 0.89 0.00 0.50 2.07 -0.89 -3.45 116.25 115.83 1xzv h VAL 17 Ca 0.09 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1xzv h VAL 17 Cb 0.44 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1xzv h VAL 17 CO 0.02 0.10 0.00 0.61 0.02 0.00 0.00 177.57 178.32 1xzv n GLY 18 N -1.28 2.97 0.00 2.17 0.00 -0.98 -1.04 105.19 107.02 1xzv n GLY 18 Ca 0.08 0.06 0.07 0.00 0.00 0.00 0.00 46.02 46.22 1xzv n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xzv n ALA 19 N 9.57 2.35 0.99 4.61 0.00 -1.26 -2.96 120.51 133.81 1xzv n ALA 19 Ca 0.00 -0.09 0.10 0.00 0.00 0.00 0.00 53.44 53.46 1xzv n ALA 19 Cb 0.00 -1.22 -0.09 0.00 0.00 0.00 0.00 19.45 18.14 1xzv n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1xzv n HIS 20 N -0.78 0.00 -0.35 0.00 8.25 -0.21 -4.53 115.22 117.61 1xzv n HIS 20 Ca 0.10 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.58 1xzv n HIS 20 Cb 0.05 0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.24 1xzv n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xzv h ALA 21 N 3.19 0.40 -0.04 -1.41 0.00 -1.61 0.13 119.26 119.92 1xzv h ALA 21 Ca 0.00 0.32 0.04 0.00 0.00 0.00 0.00 54.91 55.27 1xzv h ALA 21 Cb 0.56 0.84 -0.05 0.00 0.00 0.00 0.00 17.79 19.14 1xzv h ALA 21 CO 0.00 -0.50 -0.31 0.78 0.00 0.00 0.00 179.25 179.22 1xzv h GLY 22 N -0.01 -0.48 1.38 0.00 0.00 -1.85 0.14 103.07 102.25 1xzv h GLY 22 Ca 0.40 0.38 -0.04 0.00 0.00 0.00 0.00 47.33 48.07 1xzv h GLY 22 CO -0.97 -0.23 0.19 -2.09 0.00 0.00 0.00 176.54 173.45 1xzv h GLU 23 N -0.44 0.80 -0.23 4.80 4.81 -1.48 -1.49 114.58 121.35 1xzv h GLU 23 Ca 0.07 -0.13 -0.15 0.00 -0.13 0.00 0.00 59.36 59.02 1xzv h GLU 23 Cb 0.54 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1xzv h GLU 23 CO -0.29 0.67 -0.47 1.88 -0.73 0.00 0.00 179.01 180.08 1xzv h TYR 24 N 0.78 0.72 -0.14 0.92 0.99 -0.26 -1.44 116.97 118.55 1xzv h TYR 24 Ca 0.18 -0.23 -0.00 0.00 2.00 0.00 0.00 58.73 60.68 1xzv h TYR 24 Cb 0.19 -0.15 -0.01 0.00 1.00 0.00 0.00 36.73 37.77 1xzv h TYR 24 CO 0.01 0.95 0.09 0.78 -0.00 0.00 0.00 178.16 179.99 1xzv h GLY 25 N 1.03 0.21 0.89 3.88 0.00 -0.25 -0.35 103.07 108.47 1xzv h GLY 25 Ca 0.03 -0.08 0.02 0.00 0.00 0.00 0.00 47.33 47.29 1xzv h GLY 25 CO 0.09 0.08 0.26 0.00 0.00 0.00 0.00 176.54 176.98 1xzv h ALA 26 N 1.02 0.57 -0.71 3.60 0.00 -1.14 -2.15 119.26 120.45 1xzv h ALA 26 Ca 0.05 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1xzv h ALA 26 Cb 0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1xzv h ALA 26 CO -0.01 -0.06 0.27 1.49 0.00 0.00 0.00 179.25 180.94 1xzv h GLU 27 N 0.53 1.07 -0.53 0.00 4.81 -1.10 -1.54 114.58 117.82 1xzv h GLU 27 Ca 0.18 -0.20 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 1xzv h GLU 27 Cb 0.02 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 1xzv h GLU 27 CO -0.08 0.89 0.09 0.00 -0.73 0.00 0.00 179.01 179.18 1xzv h ALA 28 N 1.12 1.17 -0.04 2.92 0.00 -0.69 -0.40 119.26 123.34 1xzv h ALA 28 Ca 0.23 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1xzv h ALA 28 Cb 0.24 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1xzv h ALA 28 CO -0.02 0.56 0.01 -0.07 0.00 0.00 0.00 179.25 179.73 1xzv h LEU 29 N 0.79 0.06 -0.60 0.00 3.38 -0.96 -1.46 115.31 116.52 1xzv h LEU 29 Ca 0.17 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 57.94 1xzv h LEU 29 Cb 0.35 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 1xzv h LEU 29 CO 0.01 0.26 0.38 -0.08 0.09 0.00 0.00 178.44 179.10 1xzv h GLU 30 N -0.15 0.73 -0.97 1.13 4.81 -1.05 0.01 114.58 119.09 1xzv h GLU 30 Ca 0.01 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1xzv h GLU 30 Cb 0.23 -0.16 -0.05 0.00 0.63 0.00 0.00 28.75 29.39 1xzv h GLU 30 CO -0.00 0.48 0.64 0.00 -0.73 0.00 0.00 179.01 179.40 1xzv h ARG 31 N 0.75 1.23 -0.60 1.92 3.08 -0.90 -2.15 114.38 117.72 1xzv h ARG 31 Ca 0.24 -0.07 -0.08 0.00 0.07 0.00 0.00 59.98 60.13 1xzv h ARG 31 Cb -0.01 -0.28 -0.02 0.00 0.08 0.00 0.00 29.97 29.74 1xzv h ARG 31 CO -0.09 0.82 0.05 1.98 -1.07 0.00 0.00 179.97 181.65 1xzv h MET 32 N 1.27 1.02 -0.67 0.04 4.05 -0.14 -0.92 114.93 119.58 1xzv h MET 32 Ca 0.37 -0.30 -0.04 0.00 -0.28 0.00 0.00 59.70 59.45 1xzv h MET 32 Cb -0.08 -0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 30.59 1xzv h MET 32 CO -0.10 0.99 0.26 0.74 0.23 0.00 0.00 176.91 179.03 1xzv h PHE 33 N 0.92 1.02 -0.09 1.39 0.04 -0.75 0.27 116.94 119.74 1xzv h PHE 33 Ca 0.17 -0.08 -0.13 0.00 2.80 0.00 0.00 57.97 60.74 1xzv h PHE 33 Cb 0.49 -0.31 0.01 0.00 2.20 0.00 0.00 35.95 38.35 1xzv h PHE 33 CO 0.04 0.80 -0.43 -0.07 -0.60 0.00 0.00 178.31 178.04 1xzv h LEU 34 N 0.95 0.54 0.00 1.54 3.38 -1.32 -3.15 115.31 117.26 1xzv h LEU 34 Ca 0.22 -0.64 -0.24 0.00 0.09 0.00 0.00 57.88 57.32 1xzv h LEU 34 Cb 0.22 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1xzv h LEU 34 CO -0.02 1.10 -1.21 0.28 0.09 0.00 0.00 178.44 178.67 1xzv h SER 35 N 0.03 0.01 -2.36 -0.43 0.02 -1.17 -3.41 113.55 106.24 1xzv h SER 35 Ca -0.03 -0.02 -0.59 0.00 -0.84 0.00 0.00 61.79 60.32 1xzv h SER 35 Cb 1.08 -0.00 -0.40 0.00 0.14 0.00 0.00 62.40 63.22 1xzv h SER 35 CO 0.09 1.01 -0.87 0.49 -1.14 0.00 0.00 176.83 176.41 1xzv n PHE 36 N -3.27 0.86 0.29 3.45 3.01 0.08 -4.98 117.46 116.90 1xzv n PHE 36 Ca -0.05 -3.73 0.19 0.00 1.01 0.00 0.00 57.45 54.87 1xzv n PHE 36 Cb 0.97 -0.24 0.99 0.00 -0.01 0.00 0.00 39.48 41.20 1xzv n PHE 36 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1xzv h PRO 37 N 4.84 0.00 0.00 -1.08 0.11 -1.69 -1.57 132.00 132.61 1xzv h PRO 37 Ca 0.17 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.28 1xzv h PRO 37 Cb 0.83 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.94 1xzv h PRO 37 CO 0.55 0.00 -0.02 1.79 -0.21 0.00 0.00 178.00 180.11 1xzv h THR 38 N 0.00 0.11 0.00 -1.15 1.35 -1.90 -2.44 112.91 108.88 1xzv h THR 38 Ca 0.03 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 1xzv h THR 38 Cb 0.26 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 1xzv h THR 38 CO -0.00 0.02 0.00 0.35 -0.25 0.00 0.00 175.52 175.64 1xzv n THR 39 N -3.19 0.76 0.22 6.82 -2.24 -0.59 -2.80 114.28 113.26 1xzv n THR 39 Ca -0.01 0.08 0.09 0.00 -2.27 0.00 0.00 64.05 61.94 1xzv n THR 39 Cb 0.19 -1.00 0.50 0.00 -2.10 0.00 0.00 70.33 67.91 1xzv n THR 39 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1xzv h LYS 40 N 0.00 0.00 0.00 -0.78 1.57 -1.63 -2.95 116.57 112.78 1xzv h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xzv h LYS 40 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1xzv h LYS 40 CO 0.00 0.24 0.02 1.79 -0.57 0.00 0.00 179.45 180.93 1xzv h THR 41 N 0.00 0.00 -0.00 -0.16 1.35 -1.72 0.16 112.91 112.54 1xzv h THR 41 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1xzv h THR 41 Cb 0.67 0.69 0.00 0.00 -1.73 0.00 0.00 68.15 67.78 1xzv h THR 41 CO 0.03 0.00 -0.56 -1.22 -0.25 0.00 0.00 175.52 173.53 1xzv n TYR 42 N -2.61 0.00 -2.51 4.73 4.01 -1.11 -4.30 117.16 115.37 1xzv n TYR 42 Ca -0.02 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.50 1xzv n TYR 42 Cb 0.07 -0.18 0.01 0.00 -0.31 0.00 0.00 39.34 38.93 1xzv n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1xzv n PHE 43 N -1.33 2.73 0.27 -0.72 3.01 0.55 -4.82 117.46 117.16 1xzv n PHE 43 Ca 0.06 -2.95 0.14 0.00 1.01 0.00 0.00 57.45 55.71 1xzv n PHE 43 Cb 0.34 -0.18 0.75 0.00 -0.01 0.00 0.00 39.48 40.38 1xzv n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1xzv h PRO 44 N 2.67 0.00 -0.09 -1.08 0.13 -1.74 -2.35 132.00 129.53 1xzv h PRO 44 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1xzv h PRO 44 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1xzv h PRO 44 CO 0.74 0.10 0.00 -2.39 -0.23 0.00 0.00 178.00 176.22 1xzv n HIS 45 N -3.52 0.11 -4.02 1.56 1.44 -1.26 -4.91 115.22 104.61 1xzv n HIS 45 Ca -0.02 -0.05 -0.31 0.00 -2.01 0.00 0.00 57.72 55.33 1xzv n HIS 45 Cb 0.24 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.29 1xzv n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1xzv s PHE 46 N -1.89 3.30 -0.42 -1.40 0.40 -0.88 -5.06 117.98 112.02 1xzv s PHE 46 Ca 0.35 0.14 -0.25 0.00 -0.60 0.00 0.00 56.93 56.57 1xzv s PHE 46 Cb 0.19 -1.68 0.02 0.00 0.51 0.00 0.00 43.02 42.07 1xzv s PHE 46 CO 0.30 0.55 0.92 0.34 0.70 0.00 0.00 175.22 178.02 1xzv s ASP 47 N -2.34 6.57 -0.18 1.36 2.15 -1.26 -4.87 116.67 118.10 1xzv s ASP 47 Ca 0.30 0.30 0.15 0.00 0.43 0.00 0.00 52.55 53.74 1xzv s ASP 47 Cb -0.12 -2.45 0.75 0.00 -0.30 0.00 0.00 42.92 40.80 1xzv s ASP 47 CO 0.23 -0.96 1.66 0.18 -0.17 0.00 0.00 175.17 176.10 1xzv n LEU 48 N 6.98 5.16 -4.76 -1.34 4.77 -1.26 -4.46 117.00 122.09 1xzv n LEU 48 Ca 0.06 -2.61 -0.32 0.00 -0.03 0.00 0.00 56.01 53.11 1xzv n LEU 48 Cb 0.48 -0.63 0.08 0.00 -2.33 0.00 0.00 43.42 41.02 1xzv n LEU 48 CO 0.61 0.69 0.73 -0.94 -1.33 0.00 0.00 177.39 177.15 1xzv s SER 49 N -0.80 4.58 -0.06 -1.43 1.04 -1.26 -4.88 113.70 110.89 1xzv s SER 49 Ca 0.51 1.98 -0.32 0.00 0.48 0.00 0.00 55.95 58.61 1xzv s SER 49 Cb 0.36 -2.54 -0.10 0.00 0.10 0.00 0.00 66.02 63.84 1xzv s SER 49 CO 0.19 -1.98 1.98 1.57 0.98 0.00 0.00 173.24 175.98 1xzv n HIS 50 N -3.04 2.34 -2.04 5.02 -0.00 -1.26 -1.25 115.22 114.99 1xzv n HIS 50 Ca 0.10 -0.17 -0.01 0.00 0.46 0.00 0.00 57.72 58.11 1xzv n HIS 50 Cb 0.52 -2.73 -0.00 0.00 -0.12 0.00 0.00 29.99 27.66 1xzv n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1xzv n GLY 51 N 4.73 0.36 3.74 1.57 0.00 -1.26 -5.00 105.19 109.33 1xzv n GLY 51 Ca 0.23 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.99 1xzv n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xzv s SER 52 N -2.97 6.87 0.39 1.61 0.15 -0.38 -4.89 113.70 114.48 1xzv s SER 52 Ca 0.00 2.41 0.12 0.00 0.70 0.00 0.00 55.95 59.18 1xzv s SER 52 Cb -0.00 -2.61 0.77 0.00 -1.71 0.00 0.00 66.02 62.48 1xzv s SER 52 CO 0.00 -0.55 1.87 0.00 1.20 0.00 0.00 173.24 175.76 1xzv h ALA 53 N 5.51 1.46 -0.23 5.45 0.00 -1.90 -1.45 119.26 128.10 1xzv h ALA 53 Ca -0.44 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.18 1xzv h ALA 53 Cb 1.21 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1xzv h ALA 53 CO 0.78 0.40 0.12 1.96 0.00 0.00 0.00 179.25 182.51 1xzv h GLN 54 N 0.06 0.33 -0.59 0.00 4.20 -1.90 0.34 115.11 117.55 1xzv h GLN 54 Ca 0.01 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 1xzv h GLN 54 Cb 0.55 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 1xzv h GLN 54 CO 0.04 0.33 0.17 0.28 -0.67 0.00 0.00 178.83 178.98 1xzv h VAL 55 N 0.25 1.25 -0.52 -0.54 2.07 -1.69 0.13 116.25 117.20 1xzv h VAL 55 Ca 0.08 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 1xzv h VAL 55 Cb 0.11 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1xzv h VAL 55 CO -0.01 0.32 0.28 0.11 0.02 0.00 0.00 177.57 178.29 1xzv h LYS 56 N 0.84 0.73 -0.64 1.57 1.79 -0.97 0.71 116.57 120.59 1xzv h LYS 56 Ca 0.19 -0.09 -0.08 0.00 -2.18 0.00 0.00 60.65 58.49 1xzv h LYS 56 Cb 0.31 -0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 30.80 1xzv h LYS 56 CO -0.00 0.57 0.08 0.78 -1.08 0.00 0.00 179.45 179.79 1xzv h GLY 57 N 0.69 1.16 1.10 3.86 0.00 -0.06 -2.58 103.07 107.25 1xzv h GLY 57 Ca 0.18 -0.79 -0.18 0.00 0.00 0.00 0.00 47.33 46.54 1xzv h GLY 57 CO -0.03 0.73 -0.57 0.84 0.00 0.00 0.00 176.54 177.51 1xzv h HIS 58 N 1.01 1.02 -0.96 5.60 -0.00 -0.24 -2.94 115.15 118.64 1xzv h HIS 58 Ca 0.19 -0.39 0.08 0.00 -0.00 0.00 0.00 60.37 60.26 1xzv h HIS 58 Cb 0.47 -0.18 -0.07 0.00 -0.00 0.00 0.00 27.41 27.63 1xzv h HIS 58 CO 0.03 1.21 0.62 0.78 -0.00 0.00 0.00 177.93 180.57 1xzv h GLY 59 N 0.55 1.47 0.92 5.26 0.00 0.54 -1.81 103.07 110.00 1xzv h GLY 59 Ca -0.01 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 46.86 1xzv h GLY 59 CO 0.12 0.26 0.10 1.70 0.00 0.00 0.00 176.54 178.73 1xzv h LYS 60 N 1.05 0.58 -0.73 4.80 3.64 -1.38 -2.05 116.57 122.48 1xzv h LYS 60 Ca 0.44 -0.13 0.02 0.00 -1.27 0.00 0.00 60.65 59.71 1xzv h LYS 60 Cb 0.30 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.00 1xzv h LYS 60 CO -0.19 0.61 0.47 0.87 -2.27 0.00 0.00 179.45 178.94 1xzv h LYS 61 N 0.45 0.91 -0.46 1.90 1.57 -1.17 0.23 116.57 119.99 1xzv h LYS 61 Ca 0.12 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.77 1xzv h LYS 61 Cb 0.28 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1xzv h LYS 61 CO -0.00 0.60 -0.00 0.28 -0.57 0.00 0.00 179.45 179.76 1xzv h VAL 62 N 0.93 1.26 -0.28 0.50 2.07 -1.30 -1.89 116.25 117.54 1xzv h VAL 62 Ca 0.28 -1.05 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 1xzv h VAL 62 Cb -0.03 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1xzv h VAL 62 CO -0.09 0.37 0.09 0.00 0.02 0.00 0.00 177.57 177.95 1xzv h ALA 63 N 0.91 0.37 -0.88 1.67 0.00 -1.02 -0.12 119.26 120.20 1xzv h ALA 63 Ca 0.13 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.96 1xzv h ALA 63 Cb 0.50 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 1xzv h ALA 63 CO 0.02 0.00 0.57 -0.44 0.00 0.00 0.00 179.25 179.41 1xzv h ASP 64 N 0.29 0.85 -0.15 0.00 5.19 -0.47 0.44 116.42 122.57 1xzv h ASP 64 Ca 0.09 0.01 -0.17 0.00 -0.62 0.00 0.00 57.03 56.34 1xzv h ASP 64 Cb 0.24 -0.17 -0.00 0.00 0.18 0.00 0.00 39.33 39.58 1xzv h ASP 64 CO -0.00 0.53 -0.53 0.00 -3.12 0.00 0.00 179.24 176.12 1xzv h ALA 65 N 1.53 0.59 -0.35 3.45 0.00 -0.65 -1.15 119.26 122.69 1xzv h ALA 65 Ca 0.39 -0.51 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 1xzv h ALA 65 Cb 0.27 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1xzv h ALA 65 CO -0.15 0.68 -0.11 -0.07 0.00 0.00 0.00 179.25 179.61 1xzv h LEU 66 N 0.57 0.70 -1.05 0.00 3.38 0.34 -1.66 115.31 117.57 1xzv h LEU 66 Ca 0.02 -0.38 0.08 0.00 0.09 0.00 0.00 57.88 57.69 1xzv h LEU 66 Cb 1.11 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.60 1xzv h LEU 66 CO 0.11 0.91 0.63 0.74 0.09 0.00 0.00 178.44 180.92 1xzv h THR 67 N 0.47 1.03 -0.13 0.22 2.02 -0.09 -0.64 112.91 115.79 1xzv h THR 67 Ca 0.08 -0.37 -0.10 0.00 0.77 0.00 0.00 66.41 66.80 1xzv h THR 67 Cb 0.62 -0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 1xzv h THR 67 CO 0.04 0.20 -0.35 -1.13 0.37 0.00 0.00 175.52 174.65 1xzv h ASN 68 N 1.08 0.27 -0.31 4.18 -1.24 -0.95 -1.73 115.58 116.87 1xzv h ASN 68 Ca 0.44 -0.10 -0.16 0.00 0.71 0.00 0.00 56.30 57.19 1xzv h ASN 68 Cb 0.29 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.26 1xzv h ASN 68 CO -0.19 0.60 -0.42 0.00 -1.29 0.00 0.00 177.43 176.13 1xzv h ALA 69 N 1.41 0.59 -0.37 1.57 0.00 -0.23 -2.53 119.26 119.71 1xzv h ALA 69 Ca 0.03 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 1xzv h ALA 69 Cb 0.72 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1xzv h ALA 69 CO 0.05 0.68 0.13 0.28 0.00 0.00 0.00 179.25 180.39 1xzv h VAL 70 N 0.71 1.20 -0.01 0.00 2.07 -0.96 -1.28 116.25 117.99 1xzv h VAL 70 Ca 0.05 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1xzv h VAL 70 Cb 1.01 0.93 -0.00 0.00 -1.52 0.00 0.00 31.29 31.71 1xzv h VAL 70 CO 0.10 0.23 0.01 0.00 0.02 0.00 0.00 177.57 177.93 1xzv h ALA 71 N 0.97 1.77 -0.71 1.67 0.00 -1.24 -2.39 119.26 119.32 1xzv h ALA 71 Ca 0.12 -0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.52 1xzv h ALA 71 Cb 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 17.79 17.60 1xzv h ALA 71 CO -0.01 -0.01 -0.84 0.72 0.00 0.00 0.00 179.25 179.11 1xzv n HIS 72 N -4.18 2.58 0.14 0.00 8.25 -0.96 -4.84 115.22 116.21 1xzv n HIS 72 Ca -0.03 -2.20 0.19 0.00 -0.26 0.00 0.00 57.72 55.42 1xzv n HIS 72 Cb 0.09 -0.33 0.71 0.00 1.12 0.00 0.00 29.99 31.59 1xzv n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1xzv h VAL 73 N 2.45 0.23 -0.37 1.59 3.04 -0.69 0.49 116.25 122.98 1xzv h VAL 73 Ca 0.32 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.01 1xzv h VAL 73 Cb 1.51 0.57 0.00 0.00 -2.01 0.00 0.00 31.29 31.36 1xzv h VAL 73 CO 0.70 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.73 1xzv n ASP 74 N -3.42 2.66 -2.72 3.17 8.00 -1.26 -4.45 116.55 118.52 1xzv n ASP 74 Ca 0.06 -1.91 -0.03 0.00 0.71 0.00 0.00 54.79 53.63 1xzv n ASP 74 Cb 0.65 -0.24 0.10 0.00 -0.02 0.00 0.00 41.12 41.61 1xzv n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1xzv n ASP 75 N 0.96 -0.56 -0.23 -2.24 2.03 0.17 -5.00 116.55 111.68 1xzv n ASP 75 Ca 0.18 -2.23 -0.05 0.00 0.52 0.00 0.00 54.79 53.21 1xzv n ASP 75 Cb 0.46 0.35 0.06 0.00 -0.72 0.00 0.00 41.12 41.27 1xzv n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1xzv h MET 76 N 1.67 0.81 -0.93 -0.67 2.86 -1.70 0.20 114.93 117.17 1xzv h MET 76 Ca -0.33 -0.05 0.12 0.00 -2.06 0.00 0.00 59.70 57.38 1xzv h MET 76 Cb 1.28 -0.18 -0.07 0.00 0.06 0.00 0.00 31.60 32.69 1xzv h MET 76 CO -0.04 0.54 0.59 -1.35 1.06 0.00 0.00 176.91 177.72 1xzv h PRO 77 N 0.84 0.84 0.09 -0.22 0.11 -1.94 0.21 132.00 131.93 1xzv h PRO 77 Ca 0.25 -0.05 -0.15 0.00 0.11 0.00 0.00 66.00 66.16 1xzv h PRO 77 Cb -0.04 -0.19 0.01 0.00 0.11 0.00 0.00 31.00 30.89 1xzv h PRO 77 CO -0.08 0.56 -0.68 -0.91 -0.21 0.00 0.00 178.00 176.68 1xzv h ASN 78 N 0.87 0.30 0.14 -2.05 2.35 -1.84 -2.39 115.58 112.95 1xzv h ASN 78 Ca 0.45 -0.93 -0.01 0.00 -0.55 0.00 0.00 56.30 55.26 1xzv h ASN 78 Cb 0.52 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.80 1xzv h ASN 78 CO -0.21 1.32 -0.03 0.00 -1.65 0.00 0.00 177.43 176.85 1xzv h ALA 79 N 0.01 1.31 -0.01 -0.83 0.00 -0.15 -2.93 119.26 116.66 1xzv h ALA 79 Ca -0.13 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1xzv h ALA 79 Cb 1.46 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1xzv h ALA 79 CO 0.08 0.04 -0.07 1.28 0.00 0.00 0.00 179.25 180.58 1xzv n LEU 80 N -3.57 1.95 -0.33 0.00 4.77 0.70 -4.76 117.00 115.76 1xzv n LEU 80 Ca -0.03 -0.94 0.06 0.00 -0.03 0.00 0.00 56.01 55.07 1xzv n LEU 80 Cb 0.13 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.35 1xzv n LEU 80 CO 0.26 0.36 0.61 -0.24 -1.33 0.00 0.00 177.39 177.05 1xzv n SER 81 N 0.51 -0.32 -0.09 -1.43 2.88 -0.90 -1.47 113.62 112.80 1xzv n SER 81 Ca 0.07 1.56 -0.07 0.00 -1.33 0.00 0.00 58.87 59.10 1xzv n SER 81 Cb 0.32 -0.48 0.00 0.00 -0.75 0.00 0.00 64.21 63.31 1xzv n SER 81 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xzv h ALA 82 N 1.82 0.39 -0.26 -1.46 0.00 -1.85 -0.93 119.26 116.95 1xzv h ALA 82 Ca 0.44 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.24 1xzv h ALA 82 Cb 0.68 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1xzv h ALA 82 CO -0.93 -0.25 -0.37 1.25 0.00 0.00 0.00 179.25 178.95 1xzv h LEU 83 N 0.30 0.63 -0.55 0.00 5.85 -1.70 -1.12 115.31 118.71 1xzv h LEU 83 Ca 0.14 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 1xzv h LEU 83 Cb 0.08 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 1xzv h LEU 83 CO -0.12 0.94 0.32 -1.28 -0.34 0.00 0.00 178.44 177.96 1xzv h SER 84 N 0.50 0.68 -0.09 1.25 0.87 -0.78 -1.75 113.55 114.24 1xzv h SER 84 Ca 0.05 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.53 1xzv h SER 84 Cb 0.87 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.65 1xzv h SER 84 CO 0.07 0.55 0.03 0.44 -0.53 0.00 0.00 176.83 177.40 1xzv h ASP 85 N 0.75 0.13 -0.17 6.23 3.32 -1.02 -1.69 116.42 123.96 1xzv h ASP 85 Ca 0.20 -0.18 0.03 0.00 0.02 0.00 0.00 57.03 57.11 1xzv h ASP 85 Cb 0.01 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 1xzv h ASP 85 CO -0.03 0.27 -0.05 0.25 -1.72 0.00 0.00 179.24 177.96 1xzv h LEU 86 N -0.02 -0.17 -0.53 1.55 5.85 -1.03 0.38 115.31 121.34 1xzv h LEU 86 Ca 0.03 0.05 -0.11 0.00 0.84 0.00 0.00 57.88 58.69 1xzv h LEU 86 Cb 0.18 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1xzv h LEU 86 CO -0.00 -0.06 -0.10 0.45 -0.34 0.00 0.00 178.44 178.39 1xzv h HIS 87 N -0.00 1.12 -0.32 1.25 3.86 -1.33 0.23 115.15 119.94 1xzv h HIS 87 Ca 0.08 -0.23 -0.08 0.00 -1.16 0.00 0.00 60.37 58.98 1xzv h HIS 87 Cb 0.13 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.32 1xzv h HIS 87 CO -0.20 1.04 -0.12 0.00 0.86 0.00 0.00 177.93 179.51 1xzv h ALA 88 N 0.92 0.45 0.00 2.45 0.00 -1.18 0.62 119.26 122.52 1xzv h ALA 88 Ca 0.14 -0.32 -0.37 0.00 0.00 0.00 0.00 54.91 54.36 1xzv h ALA 88 Cb 0.67 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.27 1xzv h ALA 88 CO 0.05 0.33 -2.37 0.72 0.00 0.00 0.00 179.25 177.98 1xzv n HIS 89 N -4.39 0.05 -0.01 0.00 8.25 0.11 -4.55 115.22 114.68 1xzv n HIS 89 Ca -0.03 0.02 -0.04 0.00 -0.26 0.00 0.00 57.72 57.41 1xzv n HIS 89 Cb 0.36 -1.01 -0.01 0.00 1.12 0.00 0.00 29.99 30.45 1xzv n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1xzv n LYS 90 N -2.82 0.22 -0.14 -0.41 4.81 -0.04 -4.80 118.16 114.97 1xzv n LYS 90 Ca -0.34 0.09 -0.10 0.00 -0.87 0.00 0.00 58.31 57.09 1xzv n LYS 90 Cb 1.14 -0.89 -0.01 0.00 0.02 0.00 0.00 35.03 35.29 1xzv n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1xzv h LEU 91 N -0.42 0.70 -2.09 3.14 3.38 -1.39 -3.47 115.31 115.17 1xzv h LEU 91 Ca -0.00 -0.30 -0.48 0.00 0.09 0.00 0.00 57.88 57.20 1xzv h LEU 91 Cb 0.42 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1xzv h LEU 91 CO -0.00 0.83 -0.89 0.54 0.09 0.00 0.00 178.44 179.01 1xzv n ARG 92 N -4.45 -3.25 -2.38 1.13 1.74 0.22 -4.90 116.66 104.77 1xzv n ARG 92 Ca -0.01 0.45 -0.42 0.00 -0.77 0.00 0.00 57.85 57.10 1xzv n ARG 92 Cb 0.28 -4.57 -0.03 0.00 -1.02 0.00 0.00 32.46 27.12 1xzv n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1xzv s VAL 93 N -3.84 3.79 0.31 1.55 1.01 -1.25 -4.97 120.40 117.01 1xzv s VAL 93 Ca 0.07 1.36 -0.29 0.00 0.00 0.00 0.00 61.98 63.12 1xzv s VAL 93 Cb -0.03 -3.87 -0.11 0.00 0.00 0.00 0.00 36.38 32.38 1xzv s VAL 93 CO 0.87 0.14 1.44 -0.62 0.00 0.00 0.00 175.10 176.93 1xzv s ASP 94 N 0.74 6.56 0.30 3.32 2.15 -1.26 -4.87 116.67 123.61 1xzv s ASP 94 Ca 0.57 2.82 0.03 0.00 0.43 0.00 0.00 52.55 56.40 1xzv s ASP 94 Cb -0.31 -2.64 0.77 0.00 -0.30 0.00 0.00 42.92 40.43 1xzv s ASP 94 CO 0.32 -0.73 1.62 0.00 -0.17 0.00 0.00 175.17 176.21 1xzv h ALA 95 N 3.99 1.31 0.00 3.66 0.00 -2.00 -1.03 119.26 125.19 1xzv h ALA 95 Ca -0.48 0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1xzv h ALA 95 Cb 1.23 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 19.41 1xzv h ALA 95 CO 0.71 -0.54 -0.00 -0.39 0.00 0.00 0.00 179.25 179.03 1xzv h VAL 96 N 0.13 0.38 0.00 0.00 -1.51 -2.04 -2.18 116.25 111.04 1xzv h VAL 96 Ca 0.59 -0.01 -0.02 0.00 -1.23 0.00 0.00 66.70 66.02 1xzv h VAL 96 Cb 1.23 1.01 -0.00 0.00 -2.13 0.00 0.00 31.29 31.39 1xzv h VAL 96 CO -0.74 0.00 -0.11 0.78 -1.23 0.00 0.00 177.57 176.28 1xzv h ASN 97 N 0.00 0.00 -0.56 4.19 4.21 -1.54 -3.15 115.58 118.73 1xzv h ASN 97 Ca -0.00 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.50 1xzv h ASN 97 Cb 0.01 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.18 1xzv h ASN 97 CO 0.00 0.11 0.31 -0.26 -1.29 0.00 0.00 177.43 176.30 1xzv h PHE 98 N 0.00 0.76 0.00 1.19 0.04 -1.56 -1.91 116.94 115.45 1xzv h PHE 98 Ca -0.00 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.73 1xzv h PHE 98 Cb 0.52 -0.24 -0.00 0.00 2.20 0.00 0.00 35.95 38.42 1xzv h PHE 98 CO 0.00 0.55 -0.12 1.57 -0.60 0.00 0.00 178.31 179.70 1xzv h LYS 99 N 0.75 0.00 0.02 1.51 2.10 -1.72 -0.96 116.57 118.26 1xzv h LYS 99 Ca 0.20 0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 58.59 1xzv h LYS 99 Cb 0.03 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.38 1xzv h LYS 99 CO -0.03 0.12 -1.05 -0.07 -2.00 0.00 0.00 179.45 176.42 1xzv h LEU 100 N 0.00 0.81 -0.09 7.07 3.38 -1.45 -2.11 115.31 122.92 1xzv h LEU 100 Ca -0.00 -0.66 -0.04 0.00 0.09 0.00 0.00 57.88 57.27 1xzv h LEU 100 Cb 0.24 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1xzv h LEU 100 CO 0.02 1.47 -0.09 0.25 0.09 0.00 0.00 178.44 180.17 1xzv h LEU 101 N 0.34 0.24 -0.53 1.67 5.85 -1.06 -2.37 115.31 119.45 1xzv h LEU 101 Ca -0.12 -0.49 0.11 0.00 0.84 0.00 0.00 57.88 58.21 1xzv h LEU 101 Cb 1.70 -0.07 -0.11 0.00 0.37 0.00 0.00 40.66 42.56 1xzv h LEU 101 CO 0.20 0.68 -0.21 0.28 -0.34 0.00 0.00 178.44 179.05 1xzv h SER 102 N -0.20 -0.73 -0.29 1.25 0.02 -1.24 0.26 113.55 112.62 1xzv h SER 102 Ca 0.01 0.18 0.04 0.00 -0.84 0.00 0.00 61.79 61.18 1xzv h SER 102 Cb 0.62 0.42 -0.04 0.00 0.14 0.00 0.00 62.40 63.54 1xzv h SER 102 CO 0.02 -0.24 0.07 -0.74 -1.14 0.00 0.00 176.83 174.80 1xzv h HIS 103 N -0.08 0.12 0.00 3.45 -0.00 -1.32 -0.66 115.15 116.65 1xzv h HIS 103 Ca 0.25 0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.60 1xzv h HIS 103 Cb 0.47 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 27.86 1xzv h HIS 103 CO -0.51 0.04 -0.18 0.00 -0.00 0.00 0.00 177.93 177.28 1xzv h LEU 105 N 0.00 0.89 -0.42 0.00 5.85 0.42 -2.42 115.31 119.63 1xzv h LEU 105 Ca -0.00 -0.55 -0.03 0.00 0.84 0.00 0.00 57.88 58.14 1xzv h LEU 105 Cb 0.46 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1xzv h LEU 105 CO 0.02 1.27 0.15 -0.07 -0.34 0.00 0.00 178.44 179.47 1xzv h LEU 106 N 0.54 0.59 -0.07 2.25 3.38 -0.56 -2.23 115.31 119.21 1xzv h LEU 106 Ca 0.01 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.80 1xzv h LEU 106 Cb 1.13 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 1xzv h LEU 106 CO 0.11 0.62 -0.02 0.58 0.09 0.00 0.00 178.44 179.82 1xzv h VAL 107 N 0.53 0.93 -0.38 1.22 2.07 -1.34 -1.31 116.25 117.97 1xzv h VAL 107 Ca 0.14 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.68 1xzv h VAL 107 Cb 0.22 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 1xzv h VAL 107 CO -0.01 0.00 0.21 0.74 0.02 0.00 0.00 177.57 178.53 1xzv h THR 108 N -0.00 1.02 -0.17 2.57 2.02 -1.32 -1.37 112.91 115.66 1xzv h THR 108 Ca 0.03 -0.15 -0.00 0.00 0.77 0.00 0.00 66.41 67.06 1xzv h THR 108 Cb 0.05 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 1xzv h THR 108 CO -0.07 0.08 0.09 -0.07 0.37 0.00 0.00 175.52 175.92 1xzv h LEU 109 N 0.43 0.21 -0.61 2.58 3.38 -1.30 -1.72 115.31 118.28 1xzv h LEU 109 Ca 0.15 -0.10 0.12 0.00 0.09 0.00 0.00 57.88 58.14 1xzv h LEU 109 Cb 0.03 -0.05 -0.09 0.00 0.09 0.00 0.00 40.66 40.63 1xzv h LEU 109 CO -0.08 0.25 0.10 0.00 0.09 0.00 0.00 178.44 178.80 1xzv h ALA 110 N 0.97 0.70 0.00 1.53 0.00 -1.03 0.57 119.26 122.00 1xzv h ALA 110 Ca 0.06 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1xzv h ALA 110 Cb 0.09 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1xzv h ALA 110 CO -0.01 -0.33 0.00 0.00 0.00 0.00 0.00 179.25 178.91 1xzv h ALA 111 N 1.50 1.00 0.00 0.00 0.00 -0.97 -3.28 119.26 117.52 1xzv h ALA 111 Ca 0.32 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 1xzv h ALA 111 Cb 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1xzv h ALA 111 CO -0.44 0.00 -1.37 0.72 0.00 0.00 0.00 179.25 178.17 1xzv n HIS 112 N -2.59 0.00 -3.00 0.00 -0.00 0.15 -4.79 115.22 104.99 1xzv n HIS 112 Ca 0.02 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.48 1xzv n HIS 112 Cb 0.27 -0.21 -0.04 0.00 -0.00 0.00 0.00 29.99 30.01 1xzv n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1xzv n LEU 113 N -1.88 3.72 -0.25 2.41 4.77 0.18 -4.93 117.00 121.02 1xzv n LEU 113 Ca -0.04 -5.54 0.03 0.00 -0.03 0.00 0.00 56.01 50.43 1xzv n LEU 113 Cb 0.32 -0.30 0.15 0.00 -2.33 0.00 0.00 43.42 41.27 1xzv n LEU 113 CO 0.15 2.34 1.05 1.55 -1.33 0.00 0.00 177.39 181.15 1xzv h PRO 114 N 3.01 0.52 -0.24 3.23 0.13 -1.79 0.90 132.00 137.76 1xzv h PRO 114 Ca 0.12 -0.03 -0.17 0.00 -0.87 0.00 0.00 66.00 65.06 1xzv h PRO 114 Cb 0.60 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 31.61 1xzv h PRO 114 CO 0.75 0.35 -0.52 0.00 -0.23 0.00 0.00 178.00 178.35 1xzv h ALA 115 N 1.47 0.63 0.00 -0.56 0.00 -1.92 -3.26 119.26 115.61 1xzv h ALA 115 Ca 0.37 -0.50 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1xzv h ALA 115 Cb 0.46 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1xzv h ALA 115 CO -0.32 0.68 -0.79 1.05 0.00 0.00 0.00 179.25 179.87 1xzv h GLU 116 N 0.53 0.00 -3.25 0.00 9.09 -1.88 -3.41 114.58 115.67 1xzv h GLU 116 Ca 0.02 0.00 -0.57 0.00 0.05 0.00 0.00 59.36 58.86 1xzv h GLU 116 Cb 1.09 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 28.21 1xzv h GLU 116 CO 0.11 0.21 3.34 0.34 0.05 0.00 0.00 179.01 183.06 1xzv n PHE 117 N -2.96 2.08 -2.08 2.06 7.35 0.28 -4.69 117.46 119.49 1xzv n PHE 117 Ca -0.01 -2.65 -0.29 0.00 -0.76 0.00 0.00 57.45 53.74 1xzv n PHE 117 Cb 0.67 -2.18 0.04 0.00 0.35 0.00 0.00 39.48 38.36 1xzv n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1xzv s THR 118 N 2.74 3.65 0.25 -2.13 -4.23 -1.26 -4.80 115.64 109.86 1xzv s THR 118 Ca 0.58 0.33 -0.04 0.00 -1.18 0.00 0.00 61.69 61.38 1xzv s THR 118 Cb 0.15 -3.50 0.22 0.00 1.34 0.00 0.00 72.50 70.71 1xzv s THR 118 CO -0.05 -0.61 1.72 -0.65 -0.54 0.00 0.00 174.62 174.49 1xzv h PRO 119 N -0.45 0.39 -0.39 3.99 0.11 -1.99 0.38 132.00 134.04 1xzv h PRO 119 Ca -0.45 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.55 1xzv h PRO 119 Cb 1.25 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1xzv h PRO 119 CO 0.63 0.26 -0.09 0.00 -0.21 0.00 0.00 178.00 178.59 1xzv h ALA 120 N 1.56 0.54 -0.44 -0.75 0.00 -1.95 -2.05 119.26 116.18 1xzv h ALA 120 Ca 0.42 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1xzv h ALA 120 Cb 0.65 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1xzv h ALA 120 CO -0.43 0.40 -0.10 0.28 0.00 0.00 0.00 179.25 179.40 1xzv h VAL 121 N 0.56 1.27 -0.33 0.00 2.07 -1.52 -2.20 116.25 116.10 1xzv h VAL 121 Ca 0.10 -1.20 0.06 0.00 0.82 0.00 0.00 66.70 66.48 1xzv h VAL 121 Cb 0.61 1.15 -0.05 0.00 -1.52 0.00 0.00 31.29 31.48 1xzv h VAL 121 CO 0.04 0.41 -0.01 -0.74 0.02 0.00 0.00 177.57 177.28 1xzv h HIS 122 N 0.67 -0.04 -0.44 1.57 6.17 -0.21 -0.37 115.15 122.49 1xzv h HIS 122 Ca 0.11 0.03 -0.01 0.00 0.71 0.00 0.00 60.37 61.20 1xzv h HIS 122 Cb 0.63 0.07 -0.02 0.00 2.52 0.00 0.00 27.41 30.61 1xzv h HIS 122 CO 0.05 -0.07 0.23 0.00 0.71 0.00 0.00 177.93 178.84 1xzv h ALA 123 N 1.29 0.57 -0.59 5.26 0.00 -1.26 -1.15 119.26 123.38 1xzv h ALA 123 Ca 0.16 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1xzv h ALA 123 Cb 0.22 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1xzv h ALA 123 CO -0.28 0.11 0.18 0.77 0.00 0.00 0.00 179.25 180.03 1xzv h SER 124 N 0.58 0.86 -0.48 0.00 0.02 -1.03 -1.67 113.55 111.82 1xzv h SER 124 Ca 0.15 -0.21 -0.10 0.00 -0.84 0.00 0.00 61.79 60.80 1xzv h SER 124 Cb 0.09 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 1xzv h SER 124 CO -0.02 0.84 -0.06 -0.07 -1.14 0.00 0.00 176.83 176.38 1xzv h LEU 125 N 0.84 0.93 0.11 5.07 3.38 -1.01 -0.81 115.31 123.81 1xzv h LEU 125 Ca 0.19 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1xzv h LEU 125 Cb 0.29 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1xzv h LEU 125 CO -0.01 1.02 -0.05 -0.78 0.09 0.00 0.00 178.44 178.71 1xzv h ASP 126 N 0.85 -0.12 -0.87 -0.43 3.58 -1.01 -0.02 116.42 118.40 1xzv h ASP 126 Ca 0.15 -0.21 0.03 0.00 0.42 0.00 0.00 57.03 57.42 1xzv h ASP 126 Cb 0.59 0.03 -0.05 0.00 1.72 0.00 0.00 39.33 41.62 1xzv h ASP 126 CO 0.04 0.15 0.57 0.11 -2.88 0.00 0.00 179.24 177.23 1xzv h LYS 127 N -0.39 1.07 0.26 0.28 1.57 -1.24 -1.19 116.57 116.92 1xzv h LYS 127 Ca -0.01 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1xzv h LYS 127 Cb 0.32 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1xzv h LYS 127 CO 0.02 0.71 -0.12 0.35 -0.57 0.00 0.00 179.45 179.84 1xzv h PHE 128 N 1.10 -0.32 -0.47 -1.35 3.57 -0.87 -1.37 116.94 117.23 1xzv h PHE 128 Ca 0.34 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.88 1xzv h PHE 128 Cb 0.00 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.82 1xzv h PHE 128 CO -0.00 -0.07 0.31 -0.07 -2.23 0.00 0.00 178.31 176.25 1xzv h LEU 129 N -0.52 0.41 -0.59 0.59 3.38 -0.78 -0.67 115.31 117.13 1xzv h LEU 129 Ca -0.04 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 1xzv h LEU 129 Cb 0.39 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1xzv h LEU 129 CO 0.06 0.28 0.06 0.00 0.09 0.00 0.00 178.44 178.93 1xzv h ALA 130 N 1.74 0.79 -0.33 1.53 0.00 -0.93 -1.36 119.26 120.70 1xzv h ALA 130 Ca 0.19 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1xzv h ALA 130 Cb 0.18 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1xzv h ALA 130 CO -0.05 0.57 0.08 0.77 0.00 0.00 0.00 179.25 180.62 1xzv h SER 131 N 0.90 0.51 -0.40 0.00 0.02 -0.34 -1.38 113.55 112.86 1xzv h SER 131 Ca 0.17 -0.23 -0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1xzv h SER 131 Cb 0.47 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 1xzv h SER 131 CO 0.02 0.61 0.25 0.58 -1.14 0.00 0.00 176.83 177.15 1xzv h VAL 132 N 0.38 1.12 -0.69 2.27 2.07 -1.04 -1.40 116.25 118.98 1xzv h VAL 132 Ca 0.10 -0.26 0.03 0.00 0.82 0.00 0.00 66.70 67.39 1xzv h VAL 132 Cb 0.30 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 1xzv h VAL 132 CO 0.00 0.12 0.43 0.28 0.02 0.00 0.00 177.57 178.42 1xzv h SER 133 N 0.53 0.72 -0.83 0.57 0.02 -1.13 -1.55 113.55 111.88 1xzv h SER 133 Ca 0.14 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 1xzv h SER 133 Cb -0.02 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.32 1xzv h SER 133 CO -0.03 0.50 0.49 0.74 -1.14 0.00 0.00 176.83 177.39 1xzv h THR 134 N 0.85 1.23 0.05 -2.27 2.02 -1.00 -2.37 112.91 111.42 1xzv h THR 134 Ca 0.27 -0.53 -0.00 0.00 0.77 0.00 0.00 66.41 66.91 1xzv h THR 134 Cb -0.00 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.50 1xzv h THR 134 CO -0.10 0.25 -0.02 0.58 0.37 0.00 0.00 175.52 176.60 1xzv h VAL 135 N 1.14 1.13 0.00 3.16 2.07 -0.70 -1.86 116.25 121.19 1xzv h VAL 135 Ca 0.30 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1xzv h VAL 135 Cb -0.02 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1xzv h VAL 135 CO -0.05 0.15 0.00 -0.07 0.02 0.00 0.00 177.57 177.61 1xzv h LEU 136 N -0.32 0.00 -1.42 2.57 3.38 -1.06 -2.11 115.31 116.35 1xzv h LEU 136 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1xzv h LEU 136 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1xzv h LEU 136 CO 0.01 0.00 0.00 0.41 0.09 0.00 0.00 178.44 178.95 1xzv n THR 137 N -2.95 0.03 0.23 0.22 -1.04 -0.91 -4.41 114.28 105.45 1xzv n THR 137 Ca -0.03 -0.52 0.07 0.00 -2.04 0.00 0.00 64.05 61.54 1xzv n THR 137 Cb 0.08 1.17 0.55 0.00 -1.82 0.00 0.00 70.33 70.31 1xzv n THR 137 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1xzv h SER 138 N 1.83 0.00 -0.64 8.00 4.64 -0.61 -3.11 113.55 123.66 1xzv h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xzv h SER 138 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1xzv h SER 138 CO 0.00 0.17 0.00 0.29 -0.87 0.00 0.00 176.83 176.42 1xzv n LYS 139 N -4.17 3.46 0.03 4.77 5.02 -1.26 -4.64 118.16 121.35 1xzv n LYS 139 Ca -0.02 -2.80 0.00 0.00 -2.02 0.00 0.00 58.31 53.47 1xzv n LYS 139 Cb 0.25 -1.79 0.32 0.00 -0.02 0.00 0.00 35.03 33.79 1xzv n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1xzv h TYR 140 N 3.94 0.47 0.00 2.13 0.99 -1.86 -3.46 116.97 119.17 1xzv h TYR 140 Ca 0.00 -0.05 0.00 0.00 2.00 0.00 0.00 58.73 60.68 1xzv h TYR 140 Cb 1.32 -0.14 0.00 0.00 1.00 0.00 0.00 36.73 38.91 1xzv h TYR 140 CO 0.67 0.49 0.00 2.89 -0.00 0.00 0.00 178.16 182.21