#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r1y n HIS 2 N 0.00 0.00 -2.12 3.52 -0.00 -1.26 -5.11 115.22 110.24 1r1y n HIS 2 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.31 1r1y n HIS 2 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 29.97 1r1y n HIS 2 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1r1y s LEU 3 N 0.00 4.42 0.57 2.41 1.43 -1.26 -5.05 118.68 121.20 1r1y s LEU 3 Ca 0.00 2.60 -0.04 0.00 -1.03 0.00 0.00 54.13 55.65 1r1y s LEU 3 Cb 0.00 -3.63 0.01 0.00 0.03 0.00 0.00 46.19 42.60 1r1y s LEU 3 CO 0.00 -0.57 0.86 0.42 0.23 0.00 0.00 176.35 177.29 1r1y s THR 4 N -0.49 3.61 0.22 5.49 -4.23 -1.26 -4.88 115.64 114.10 1r1y s THR 4 Ca 0.54 -0.13 -0.08 0.00 -1.18 0.00 0.00 61.69 60.84 1r1y s THR 4 Cb -0.39 -3.42 0.16 0.00 1.34 0.00 0.00 72.50 70.19 1r1y s THR 4 CO 0.46 -0.40 1.81 -0.65 -0.54 0.00 0.00 174.62 175.30 1r1y h PRO 5 N -0.08 0.71 -0.42 3.99 0.11 -2.00 -1.07 132.00 133.24 1r1y h PRO 5 Ca -0.45 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 1r1y h PRO 5 Cb 1.26 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1r1y h PRO 5 CO 0.60 0.47 0.15 1.05 -0.21 0.00 0.00 178.00 180.06 1r1y h GLU 6 N 0.73 0.59 -0.49 1.05 9.09 -1.99 -1.67 114.58 121.89 1r1y h GLU 6 Ca 0.32 -0.08 -0.11 0.00 0.05 0.00 0.00 59.36 59.54 1r1y h GLU 6 Cb 0.20 -0.11 -0.01 0.00 -1.65 0.00 0.00 28.75 27.18 1r1y h GLU 6 CO -0.19 0.51 -0.12 0.93 0.05 0.00 0.00 179.01 180.19 1r1y h GLU 7 N 0.59 0.94 -0.58 1.06 5.08 -1.61 -1.43 114.58 118.63 1r1y h GLU 7 Ca 0.14 -0.36 -0.04 0.00 -1.00 0.00 0.00 59.36 58.11 1r1y h GLU 7 Cb 0.15 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 1r1y h GLU 7 CO -0.01 1.02 0.22 0.87 -1.00 0.00 0.00 179.01 180.12 1r1y h LYS 8 N 0.79 0.88 -0.63 2.33 1.57 -0.74 -0.53 116.57 120.24 1r1y h LYS 8 Ca 0.12 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1r1y h LYS 8 Cb 0.68 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.82 1r1y h LYS 8 CO 0.05 0.76 0.34 0.77 -0.57 0.00 0.00 179.45 180.80 1r1y h SER 9 N 0.81 0.80 -0.64 0.86 0.02 -1.22 -0.44 113.55 113.74 1r1y h SER 9 Ca 0.19 -0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 61.01 1r1y h SER 9 Cb 0.22 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 1r1y h SER 9 CO -0.01 0.67 0.26 0.00 -1.14 0.00 0.00 176.83 176.60 1r1y h ALA 10 N 1.16 0.83 -0.13 3.77 0.00 -0.88 -0.38 119.26 123.64 1r1y h ALA 10 Ca 0.22 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1r1y h ALA 10 Cb 0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1r1y h ALA 10 CO -0.04 0.44 0.05 0.28 0.00 0.00 0.00 179.25 179.98 1r1y h VAL 11 N 0.89 1.15 -0.50 0.00 2.07 -0.73 -2.50 116.25 116.64 1r1y h VAL 11 Ca 0.21 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1r1y h VAL 11 Cb 0.20 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1r1y h VAL 11 CO -0.02 0.14 0.33 0.74 0.02 0.00 0.00 177.57 178.78 1r1y h THR 12 N 0.05 1.13 -0.48 2.57 2.02 -0.86 -1.43 112.91 115.90 1r1y h THR 12 Ca 0.04 -0.25 -0.05 0.00 0.77 0.00 0.00 66.41 66.93 1r1y h THR 12 Cb 0.17 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 1r1y h THR 12 CO -0.00 0.13 0.12 0.00 0.37 0.00 0.00 175.52 176.13 1r1y h ALA 13 N 1.18 0.63 -0.26 6.16 0.00 -1.04 -1.56 119.26 124.36 1r1y h ALA 13 Ca 0.18 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1r1y h ALA 13 Cb -0.07 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1r1y h ALA 13 CO -0.04 0.32 -0.03 1.25 0.00 0.00 0.00 179.25 180.76 1r1y h LEU 14 N 0.65 0.47 -2.09 0.00 5.85 -1.32 -2.82 115.31 116.06 1r1y h LEU 14 Ca 0.15 -0.33 -0.00 0.00 0.84 0.00 0.00 57.88 58.53 1r1y h LEU 14 Cb 0.32 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 1r1y h LEU 14 CO 0.00 0.70 -0.02 -0.25 -0.34 0.00 0.00 178.44 178.53 1r1y h TRP 15 N 0.24 0.00 0.00 1.25 2.91 -1.12 -0.16 115.95 119.08 1r1y h TRP 15 Ca 0.07 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.09 1r1y h TRP 15 Cb 0.47 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.12 1r1y h TRP 15 CO 0.04 0.02 0.00 0.41 -1.03 0.00 0.00 178.44 177.88 1r1y n GLY 16 N -1.43 -0.73 0.71 2.65 0.00 -0.60 -1.31 105.19 104.48 1r1y n GLY 16 Ca -0.03 0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.12 1r1y n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r1y n LYS 17 N -1.72 1.50 -2.95 1.61 5.02 -0.07 -5.00 118.16 116.55 1r1y n LYS 17 Ca 0.00 -1.60 -0.40 0.00 -2.02 0.00 0.00 58.31 54.30 1r1y n LYS 17 Cb 0.06 -1.33 -0.05 0.00 -0.02 0.00 0.00 35.03 33.69 1r1y n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1r1y s VAL 18 N -1.37 4.82 -0.67 -0.18 1.01 -0.42 -5.00 120.40 118.60 1r1y s VAL 18 Ca 0.21 1.66 -0.23 0.00 0.00 0.00 0.00 61.98 63.62 1r1y s VAL 18 Cb 0.15 -4.13 0.06 0.00 0.00 0.00 0.00 36.38 32.46 1r1y s VAL 18 CO 0.21 0.30 1.01 0.21 0.00 0.00 0.00 175.10 176.84 1r1y s ASN 19 N 0.32 6.18 0.18 3.32 3.84 -1.26 -4.91 114.94 122.61 1r1y s ASN 19 Ca 0.40 -0.87 -0.13 0.00 0.21 0.00 0.00 52.86 52.48 1r1y s ASN 19 Cb -0.20 -2.44 0.17 0.00 -0.55 0.00 0.00 41.25 38.23 1r1y s ASN 19 CO 0.23 -1.49 1.75 0.58 -2.79 0.00 0.00 177.10 175.38 1r1y h VAL 20 N 5.98 0.85 -0.48 -5.21 2.07 -1.94 -0.20 116.25 117.33 1r1y h VAL 20 Ca -0.29 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.10 1r1y h VAL 20 Cb 1.07 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1r1y h VAL 20 CO 1.19 0.07 0.30 0.44 0.02 0.00 0.00 177.57 179.59 1r1y h ASP 21 N 0.38 0.56 0.40 0.57 5.19 -1.91 0.35 116.42 121.97 1r1y h ASP 21 Ca 0.24 -0.04 -0.02 0.00 -0.62 0.00 0.00 57.03 56.59 1r1y h ASP 21 Cb 0.24 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.62 1r1y h ASP 21 CO -0.23 0.44 -0.19 -0.08 -3.12 0.00 0.00 179.24 176.05 1r1y h GLU 22 N 0.64 -0.52 -0.66 3.56 4.81 -1.89 -0.96 114.58 119.57 1r1y h GLU 22 Ca 0.17 0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.39 1r1y h GLU 22 Cb -0.03 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 1r1y h GLU 22 CO -0.03 -0.31 0.21 0.28 -0.73 0.00 0.00 179.01 178.43 1r1y h VAL 23 N -0.60 1.24 -0.00 0.32 2.07 -1.00 -1.73 116.25 116.55 1r1y h VAL 23 Ca -0.05 -0.82 -0.00 0.00 0.82 0.00 0.00 66.70 66.65 1r1y h VAL 23 Cb 0.45 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1r1y h VAL 23 CO 0.09 0.32 0.00 1.23 0.02 0.00 0.00 177.57 179.23 1r1y h GLY 24 N 1.05 0.01 0.91 2.17 0.00 -0.83 0.22 103.07 106.60 1r1y h GLY 24 Ca 0.22 -0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.56 1r1y h GLY 24 CO -0.01 0.00 0.35 -1.33 0.00 0.00 0.00 176.54 175.55 1r1y h GLY 25 N -0.04 0.80 1.02 4.60 0.00 -1.02 -1.20 103.07 107.22 1r1y h GLY 25 Ca 0.00 -0.27 -0.10 0.00 0.00 0.00 0.00 47.33 46.97 1r1y h GLY 25 CO -0.00 0.23 -0.10 -2.09 0.00 0.00 0.00 176.54 174.58 1r1y h GLU 26 N 0.70 0.87 -0.36 4.80 4.57 -1.11 -1.16 114.58 122.88 1r1y h GLU 26 Ca 0.22 -0.33 -0.11 0.00 -1.18 0.00 0.00 59.36 57.97 1r1y h GLU 26 Cb -0.00 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 1r1y h GLU 26 CO -0.09 0.97 -0.19 0.00 -1.18 0.00 0.00 179.01 178.52 1r1y h ALA 27 N 0.87 0.51 -0.43 2.92 0.00 -0.41 -0.11 119.26 122.61 1r1y h ALA 27 Ca 0.11 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 1r1y h ALA 27 Cb 0.65 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1r1y h ALA 27 CO 0.04 0.45 -0.04 1.25 0.00 0.00 0.00 179.25 180.95 1r1y h LEU 28 N 0.55 0.77 -0.10 0.00 5.85 -1.19 -0.57 115.31 120.62 1r1y h LEU 28 Ca 0.08 -0.33 0.01 0.00 0.84 0.00 0.00 57.88 58.48 1r1y h LEU 28 Cb 0.74 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 1r1y h LEU 28 CO 0.06 0.92 0.01 1.23 -0.34 0.00 0.00 178.44 180.32 1r1y h GLY 29 N 0.61 0.10 1.11 3.75 0.00 -1.15 -1.48 103.07 106.01 1r1y h GLY 29 Ca 0.12 -0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.46 1r1y h GLY 29 CO 0.03 -0.01 0.58 3.21 0.00 0.00 0.00 176.54 180.36 1r1y h ARG 30 N 0.05 1.13 -0.28 4.80 3.08 -0.88 -0.98 114.38 121.30 1r1y h ARG 30 Ca 0.05 -0.07 0.03 0.00 0.07 0.00 0.00 59.98 60.06 1r1y h ARG 30 Cb 0.04 -0.26 -0.03 0.00 0.08 0.00 0.00 29.97 29.81 1r1y h ARG 30 CO -0.07 0.75 0.10 1.25 -1.07 0.00 0.00 179.97 180.93 1r1y h LEU 31 N 1.17 0.12 -1.49 3.04 5.85 -0.56 0.33 115.31 123.76 1r1y h LEU 31 Ca 0.33 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 59.04 1r1y h LEU 31 Cb -0.10 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 1r1y h LEU 31 CO -0.08 0.10 -0.17 -0.07 -0.34 0.00 0.00 178.44 177.88 1r1y h LEU 32 N 0.23 0.00 0.00 2.25 4.07 -0.82 -0.24 115.31 120.80 1r1y h LEU 32 Ca 0.12 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 58.01 1r1y h LEU 32 Cb 0.09 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.81 1r1y h LEU 32 CO -0.12 0.17 -0.45 0.58 -1.08 0.00 0.00 178.44 177.54 1r1y h VAL 33 N 0.00 1.08 -0.32 1.22 2.07 -0.53 -3.22 116.25 116.55 1r1y h VAL 33 Ca -0.00 -1.97 -0.14 0.00 0.82 0.00 0.00 66.70 65.42 1r1y h VAL 33 Cb 0.56 2.19 -0.01 0.00 -1.52 0.00 0.00 31.29 32.51 1r1y h VAL 33 CO 0.02 0.37 -0.36 0.58 0.02 0.00 0.00 177.57 178.20 1r1y h VAL 34 N -1.00 1.29 -2.17 2.57 2.07 -0.38 -3.33 116.25 115.30 1r1y h VAL 34 Ca -0.11 -1.52 -0.59 0.00 0.82 0.00 0.00 66.70 65.30 1r1y h VAL 34 Cb 0.90 1.43 -0.42 0.00 -1.52 0.00 0.00 31.29 31.68 1r1y h VAL 34 CO -0.07 0.49 -0.67 -1.22 0.02 0.00 0.00 177.57 176.12 1r1y n TYR 35 N -4.05 3.02 0.25 1.57 4.01 -0.10 -4.97 117.16 116.88 1r1y n TYR 35 Ca -0.01 -4.07 0.13 0.00 -0.16 0.00 0.00 57.90 53.79 1r1y n TYR 35 Cb 0.51 -0.53 0.55 0.00 -0.31 0.00 0.00 39.34 39.57 1r1y n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1r1y h PRO 36 N 4.16 0.00 0.00 -0.72 0.13 -1.67 0.01 132.00 133.91 1r1y h PRO 36 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1r1y h PRO 36 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 1r1y h PRO 36 CO 0.78 0.00 0.00 0.11 -0.23 0.00 0.00 178.00 178.66 1r1y h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.91 -0.96 115.95 114.73 1r1y h TRP 37 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.05 1r1y h TRP 37 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.51 1r1y h TRP 37 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 178.44 178.78 1r1y n THR 38 N -2.92 0.68 0.37 0.12 -2.24 -0.01 -2.30 114.28 107.99 1r1y n THR 38 Ca -0.01 0.17 0.14 0.00 -2.27 0.00 0.00 64.05 62.08 1r1y n THR 38 Cb 0.20 -0.89 0.52 0.00 -2.10 0.00 0.00 70.33 68.06 1r1y n THR 38 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1r1y h GLN 39 N 0.00 0.00 -0.90 -0.78 4.20 -1.37 -3.30 115.11 112.95 1r1y h GLN 39 Ca 0.00 0.00 0.26 0.00 0.06 0.00 0.00 58.65 58.97 1r1y h GLN 39 Cb 0.22 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.97 1r1y h GLN 39 CO 0.00 0.00 0.67 0.07 -0.67 0.00 0.00 178.83 178.90 1r1y h ARG 40 N 0.00 0.00 -0.01 1.46 0.11 -1.66 0.95 114.38 115.23 1r1y h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1r1y h ARG 40 Cb 0.52 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.60 1r1y h ARG 40 CO 0.00 0.00 -0.27 1.19 0.10 0.00 0.00 179.97 180.99 1r1y n PHE 41 N -4.18 0.00 -1.62 4.08 3.01 -1.24 -4.40 117.46 113.11 1r1y n PHE 41 Ca 0.19 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.71 1r1y n PHE 41 Cb 0.99 -0.13 0.19 0.00 -0.01 0.00 0.00 39.48 40.52 1r1y n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1r1y n PHE 42 N -0.70 0.00 0.29 1.38 3.01 0.33 -4.71 117.46 117.05 1r1y n PHE 42 Ca 0.12 -1.40 0.14 0.00 1.01 0.00 0.00 57.45 57.32 1r1y n PHE 42 Cb 0.35 -0.24 0.86 0.00 -0.01 0.00 0.00 39.48 40.44 1r1y n PHE 42 CO 0.00 0.00 0.00 1.05 1.01 0.00 0.00 176.76 178.82 1r1y h GLU 43 N 0.93 0.00 -0.00 -1.08 4.11 -1.77 -0.24 114.58 116.53 1r1y h GLU 43 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1r1y h GLU 43 Cb 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1r1y h GLU 43 CO 0.01 0.03 -0.00 -1.13 0.07 0.00 0.00 179.01 177.99 1r1y n SER 44 N -3.82 0.02 -0.16 3.06 3.41 -1.26 -3.41 113.62 111.47 1r1y n SER 44 Ca -0.03 -0.82 0.15 0.00 -0.26 0.00 0.00 58.87 57.91 1r1y n SER 44 Cb 0.12 -0.06 0.73 0.00 -0.26 0.00 0.00 64.21 64.74 1r1y n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1r1y n PHE 45 N -1.05 0.00 -0.41 7.33 0.99 -0.10 -5.03 117.46 119.19 1r1y n PHE 45 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.67 1r1y n PHE 45 Cb 0.14 -0.07 0.00 0.00 -1.00 0.00 0.00 39.48 38.55 1r1y n PHE 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1r1y n GLY 46 N 1.15 0.91 3.66 1.37 0.00 -1.22 -4.69 105.19 106.36 1r1y n GLY 46 Ca 0.19 -1.38 -0.43 0.00 0.00 0.00 0.00 46.02 44.41 1r1y n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1r1y s ASP 47 N -4.00 6.91 -0.04 1.61 3.68 -1.26 -4.84 116.67 118.73 1r1y s ASP 47 Ca 0.00 1.75 0.20 0.00 2.13 0.00 0.00 52.55 56.63 1r1y s ASP 47 Cb 0.00 -2.54 0.38 0.00 -1.45 0.00 0.00 42.92 39.31 1r1y s ASP 47 CO 0.00 -0.79 1.16 0.18 0.13 0.00 0.00 175.17 175.85 1r1y n LEU 48 N 6.69 1.25 0.12 -1.34 4.77 -1.26 -4.22 117.00 123.02 1r1y n LEU 48 Ca 0.14 -2.28 0.04 0.00 -0.03 0.00 0.00 56.01 53.88 1r1y n LEU 48 Cb 0.45 -0.11 0.45 0.00 -2.33 0.00 0.00 43.42 41.88 1r1y n LEU 48 CO 0.57 0.65 1.00 0.77 -1.33 0.00 0.00 177.39 179.04 1r1y h SER 49 N 0.87 0.24 -5.60 -1.43 4.64 -1.91 -3.44 113.55 106.91 1r1y h SER 49 Ca -0.16 -0.03 -0.26 0.00 -0.47 0.00 0.00 61.79 60.87 1r1y h SER 49 Cb 1.66 -0.06 -0.14 0.00 -0.31 0.00 0.00 62.40 63.55 1r1y h SER 49 CO 0.07 0.29 -0.53 0.42 -0.87 0.00 0.00 176.83 176.21 1r1y s THR 50 N -4.99 0.00 0.17 2.95 -4.23 -1.26 -5.01 115.64 103.27 1r1y s THR 50 Ca -0.06 -1.92 -0.14 0.00 -1.18 0.00 0.00 61.69 58.38 1r1y s THR 50 Cb 0.16 -2.48 0.05 0.00 1.34 0.00 0.00 72.50 71.58 1r1y s THR 50 CO 0.72 0.00 1.80 -0.65 -0.54 0.00 0.00 174.62 175.95 1r1y h PRO 51 N 2.48 0.69 -0.72 3.99 0.11 -1.98 0.11 132.00 136.69 1r1y h PRO 51 Ca -0.33 -0.06 0.03 0.00 0.11 0.00 0.00 66.00 65.75 1r1y h PRO 51 Cb 1.25 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 32.17 1r1y h PRO 51 CO 0.48 0.50 0.47 -0.44 -0.21 0.00 0.00 178.00 178.80 1r1y h ASP 52 N 0.69 0.76 0.06 -2.05 3.32 -1.98 0.15 116.42 117.37 1r1y h ASP 52 Ca 0.18 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.22 1r1y h ASP 52 Cb -0.02 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.35 1r1y h ASP 52 CO -0.03 0.53 -0.03 0.00 -1.72 0.00 0.00 179.24 177.99 1r1y h ALA 53 N 1.58 -0.08 -0.01 3.45 0.00 -1.74 -0.36 119.26 122.10 1r1y h ALA 53 Ca 0.28 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1r1y h ALA 53 Cb 0.02 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1r1y h ALA 53 CO -0.08 -0.37 -0.11 0.28 0.00 0.00 0.00 179.25 178.97 1r1y h VAL 54 N -0.43 0.71 -0.25 0.00 2.07 -0.51 0.95 116.25 118.78 1r1y h VAL 54 Ca -0.01 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 1r1y h VAL 54 Cb 0.38 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1r1y h VAL 54 CO 0.01 0.00 0.04 0.24 0.02 0.00 0.00 177.57 177.88 1r1y h MET 55 N -0.19 0.36 -0.00 1.57 2.07 -0.72 -2.65 114.93 115.36 1r1y h MET 55 Ca 0.04 -0.05 0.00 0.00 -2.07 0.00 0.00 59.70 57.62 1r1y h MET 55 Cb 0.25 -0.07 0.00 0.00 -1.87 0.00 0.00 31.60 29.91 1r1y h MET 55 CO -0.12 0.36 -0.36 0.41 1.07 0.00 0.00 176.91 178.27 1r1y n GLY 56 N -1.14 -1.05 3.65 8.32 0.00 -0.15 -4.86 105.19 109.95 1r1y n GLY 56 Ca 0.01 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 1r1y n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1r1y s ASN 57 N -2.81 6.41 0.38 1.61 3.84 0.29 -4.89 114.94 119.77 1r1y s ASN 57 Ca 0.17 2.21 0.09 0.00 0.21 0.00 0.00 52.86 55.54 1r1y s ASN 57 Cb 0.18 -2.53 0.85 0.00 -0.55 0.00 0.00 41.25 39.20 1r1y s ASN 57 CO 0.62 -1.15 1.92 -0.65 -2.79 0.00 0.00 177.10 175.05 1r1y h PRO 58 N 10.73 0.62 0.00 0.43 0.11 -1.90 -1.30 132.00 140.69 1r1y h PRO 58 Ca -0.41 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 65.49 1r1y h PRO 58 Cb 1.20 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 1r1y h PRO 58 CO 0.96 0.41 -0.81 0.87 -0.21 0.00 0.00 178.00 179.22 1r1y h LYS 59 N 0.64 0.00 -0.08 1.05 1.57 -1.90 0.18 116.57 118.03 1r1y h LYS 59 Ca 0.36 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.11 1r1y h LYS 59 Cb 0.55 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.86 1r1y h LYS 59 CO -0.14 0.81 -0.08 0.28 -0.57 0.00 0.00 179.45 179.75 1r1y h VAL 60 N 0.00 1.37 -0.27 0.50 2.07 -1.67 -1.46 116.25 116.79 1r1y h VAL 60 Ca -0.01 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 66.29 1r1y h VAL 60 Cb 1.43 2.02 -0.01 0.00 -1.52 0.00 0.00 31.29 33.20 1r1y h VAL 60 CO 0.10 0.34 0.18 0.11 0.02 0.00 0.00 177.57 178.32 1r1y h LYS 61 N -0.24 0.35 -0.40 1.57 1.57 -1.18 -0.14 116.57 118.10 1r1y h LYS 61 Ca 0.01 -0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.85 1r1y h LYS 61 Cb 0.59 -0.08 -0.07 0.00 0.08 0.00 0.00 32.23 32.75 1r1y h LYS 61 CO 0.02 0.23 -0.03 0.00 -0.57 0.00 0.00 179.45 179.10 1r1y h ALA 62 N 1.11 0.34 -0.40 3.86 0.00 -0.57 -1.30 119.26 122.30 1r1y h ALA 62 Ca 0.10 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1r1y h ALA 62 Cb -0.03 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1r1y h ALA 62 CO -0.03 -0.41 0.16 1.25 0.00 0.00 0.00 179.25 180.22 1r1y h HIS 63 N 0.07 0.60 -0.94 0.00 -0.00 -0.90 -2.53 115.15 111.46 1r1y h HIS 63 Ca 0.20 -0.05 0.11 0.00 -0.00 0.00 0.00 60.37 60.64 1r1y h HIS 63 Cb 0.29 -0.18 -0.07 0.00 -0.00 0.00 0.00 27.41 27.45 1r1y h HIS 63 CO -0.30 0.54 0.60 0.78 -0.00 0.00 0.00 177.93 179.55 1r1y h GLY 64 N 0.50 1.41 1.00 5.26 0.00 -0.44 -0.19 103.07 110.62 1r1y h GLY 64 Ca 0.13 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 1r1y h GLY 64 CO -0.01 0.17 0.40 0.50 0.00 0.00 0.00 176.54 177.60 1r1y h LYS 65 N 0.89 0.91 -0.13 4.80 1.57 -0.84 0.31 116.57 124.08 1r1y h LYS 65 Ca 0.45 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 59.13 1r1y h LYS 65 Cb 0.50 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1r1y h LYS 65 CO -0.22 0.66 0.03 -0.22 -0.57 0.00 0.00 179.45 179.13 1r1y h LYS 66 N 0.91 0.22 0.26 3.15 3.64 -0.88 -0.64 116.57 123.23 1r1y h LYS 66 Ca 0.24 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1r1y h LYS 66 Cb -0.02 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1r1y h LYS 66 CO -0.04 0.39 -0.13 0.28 -2.27 0.00 0.00 179.45 177.68 1r1y h VAL 67 N 0.01 0.79 0.00 2.00 2.07 -0.96 -2.22 116.25 117.94 1r1y h VAL 67 Ca 0.04 -0.38 -0.07 0.00 0.82 0.00 0.00 66.70 67.11 1r1y h VAL 67 Cb 0.27 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1r1y h VAL 67 CO 0.00 0.08 -0.32 0.25 0.02 0.00 0.00 177.57 177.60 1r1y h LEU 68 N -0.55 0.00 -0.50 2.57 6.46 -1.00 -1.61 115.31 120.68 1r1y h LEU 68 Ca -0.04 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.70 1r1y h LEU 68 Cb 0.40 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.31 1r1y h LEU 68 CO 0.06 0.32 0.21 1.23 -0.62 0.00 0.00 178.44 179.64 1r1y h GLY 69 N 1.11 0.80 1.82 3.75 0.00 -0.97 0.24 103.07 109.81 1r1y h GLY 69 Ca -0.00 -0.43 -0.12 0.00 0.00 0.00 0.00 47.33 46.78 1r1y h GLY 69 CO 0.04 0.40 -0.48 0.00 0.00 0.00 0.00 176.54 176.50 1r1y h ALA 70 N 1.05 1.05 -0.04 3.60 0.00 -1.04 -0.79 119.26 123.09 1r1y h ALA 70 Ca 0.17 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1r1y h ALA 70 Cb 0.18 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1r1y h ALA 70 CO -0.02 0.64 0.00 0.35 0.00 0.00 0.00 179.25 180.22 1r1y h PHE 71 N 0.16 0.08 -0.53 0.00 3.57 -1.02 -2.58 116.94 116.61 1r1y h PHE 71 Ca 0.01 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.52 1r1y h PHE 71 Cb 0.91 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.59 1r1y h PHE 71 CO 0.01 0.33 0.32 1.03 -2.23 0.00 0.00 178.31 177.78 1r1y h SER 72 N -0.20 0.53 0.17 0.41 0.87 -0.34 -1.43 113.55 113.56 1r1y h SER 72 Ca 0.01 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.55 1r1y h SER 72 Cb 0.30 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.14 1r1y h SER 72 CO 0.00 0.37 -0.13 0.44 -0.53 0.00 0.00 176.83 176.98 1r1y h ASP 73 N 0.64 0.00 1.14 6.23 3.32 -1.12 -2.14 116.42 124.50 1r1y h ASP 73 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1r1y h ASP 73 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1r1y h ASP 73 CO -0.09 0.13 0.00 1.23 -1.72 0.00 0.00 179.24 178.79 1r1y h GLY 74 N 0.47 0.00 1.93 2.75 0.00 -0.84 -2.95 103.07 104.42 1r1y h GLY 74 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1r1y h GLY 74 CO 0.02 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.60 1r1y n LEU 75 N -2.76 0.00 -0.43 3.11 4.77 -0.80 -1.21 117.00 119.68 1r1y n LEU 75 Ca 0.02 0.46 0.14 0.00 -0.03 0.00 0.00 56.01 56.61 1r1y n LEU 75 Cb 0.33 -0.46 0.56 0.00 -2.33 0.00 0.00 43.42 41.51 1r1y n LEU 75 CO 0.26 -0.24 0.88 0.00 -1.33 0.00 0.00 177.39 176.96 1r1y n ALA 76 N -1.46 2.60 -2.87 -1.18 0.00 -1.11 -4.19 120.51 112.29 1r1y n ALA 76 Ca 0.04 -0.42 -0.16 0.00 0.00 0.00 0.00 53.44 52.90 1r1y n ALA 76 Cb 0.15 -1.19 -0.00 0.00 0.00 0.00 0.00 19.45 18.41 1r1y n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1r1y n HIS 77 N 0.05 1.23 1.07 0.00 8.25 -0.35 -4.88 115.22 120.59 1r1y n HIS 77 Ca 0.19 -3.31 0.10 0.00 -0.26 0.00 0.00 57.72 54.44 1r1y n HIS 77 Cb 0.33 -0.38 0.54 0.00 1.12 0.00 0.00 29.99 31.61 1r1y n HIS 77 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1r1y n LEU 78 N 0.01 0.00 -1.10 2.41 4.77 -1.25 -1.96 117.00 119.88 1r1y n LEU 78 Ca 0.20 0.15 0.08 0.00 -0.03 0.00 0.00 56.01 56.41 1r1y n LEU 78 Cb 0.71 -0.15 0.27 0.00 -2.33 0.00 0.00 43.42 41.92 1r1y n LEU 78 CO 0.26 -0.06 0.73 0.47 -1.33 0.00 0.00 177.39 177.46 1r1y n ASP 79 N -1.15 3.97 -2.69 -1.43 10.43 -1.26 -4.52 116.55 119.90 1r1y n ASP 79 Ca 0.12 -2.48 -0.06 0.00 2.57 0.00 0.00 54.79 54.94 1r1y n ASP 79 Cb 0.11 -0.46 0.08 0.00 1.84 0.00 0.00 41.12 42.68 1r1y n ASP 79 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 1r1y n ASN 80 N 0.46 -1.66 -0.10 -2.24 5.15 -0.83 -5.01 115.26 111.03 1r1y n ASN 80 Ca 0.20 -2.20 -0.09 0.00 -0.60 0.00 0.00 54.58 51.89 1r1y n ASN 80 Cb 0.76 1.02 -0.02 0.00 -0.53 0.00 0.00 39.78 41.00 1r1y n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1r1y h LEU 81 N 1.72 0.43 -0.63 1.20 4.07 -1.76 0.23 115.31 120.57 1r1y h LEU 81 Ca -0.38 -0.13 0.01 0.00 0.08 0.00 0.00 57.88 57.46 1r1y h LEU 81 Cb 1.28 -0.11 -0.03 0.00 1.08 0.00 0.00 40.66 42.88 1r1y h LEU 81 CO -0.12 0.44 0.41 0.11 -1.08 0.00 0.00 178.44 178.20 1r1y h LYS 82 N 0.39 0.80 -0.26 1.13 1.57 -1.90 -1.66 116.57 116.63 1r1y h LYS 82 Ca 0.11 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.72 1r1y h LYS 82 Cb 0.13 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 1r1y h LYS 82 CO -0.01 0.53 -0.30 0.78 -0.57 0.00 0.00 179.45 179.88 1r1y h GLY 83 N 0.82 0.73 0.53 3.86 0.00 -1.91 -2.33 103.07 104.77 1r1y h GLY 83 Ca 0.24 -0.77 0.08 0.00 0.00 0.00 0.00 47.33 46.88 1r1y h GLY 83 CO -0.07 0.69 0.29 -0.84 0.00 0.00 0.00 176.54 176.61 1r1y h THR 84 N 0.40 0.86 -0.69 4.70 2.02 -0.22 -2.94 112.91 117.05 1r1y h THR 84 Ca 0.04 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.04 1r1y h THR 84 Cb 0.87 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 1r1y h THR 84 CO 0.07 0.10 0.00 0.49 0.37 0.00 0.00 175.52 176.55 1r1y n PHE 85 N -4.90 1.02 -0.08 3.16 3.01 -0.65 -4.62 117.46 114.39 1r1y n PHE 85 Ca 0.08 -0.48 -0.07 0.00 1.01 0.00 0.00 57.45 57.99 1r1y n PHE 85 Cb 0.23 -0.04 -0.00 0.00 -0.01 0.00 0.00 39.48 39.65 1r1y n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1r1y h ALA 86 N 4.25 0.23 -0.09 4.37 0.00 -1.22 0.17 119.26 126.97 1r1y h ALA 86 Ca 0.00 0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 1r1y h ALA 86 Cb 1.01 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1r1y h ALA 86 CO 0.04 -0.44 -0.44 1.79 0.00 0.00 0.00 179.25 180.21 1r1y h THR 87 N 0.05 1.32 0.00 0.00 1.35 -1.82 -1.33 112.91 112.48 1r1y h THR 87 Ca 0.14 -1.58 -0.11 0.00 -0.55 0.00 0.00 66.41 64.32 1r1y h THR 87 Cb 0.20 1.74 -0.02 0.00 -1.73 0.00 0.00 68.15 68.34 1r1y h THR 87 CO -0.27 0.47 -0.53 -0.07 -0.25 0.00 0.00 175.52 174.87 1r1y h LEU 88 N 0.17 0.00 0.41 3.87 3.38 -1.74 -1.74 115.31 119.66 1r1y h LEU 88 Ca 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1r1y h LEU 88 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1r1y h LEU 88 CO 0.07 0.53 -0.20 -1.28 0.09 0.00 0.00 178.44 177.65 1r1y h SER 89 N 0.00 -0.46 -0.53 -0.43 0.87 0.03 -0.37 113.55 112.66 1r1y h SER 89 Ca -0.01 -0.09 0.10 0.00 -1.23 0.00 0.00 61.79 60.56 1r1y h SER 89 Cb 1.11 0.12 -0.08 0.00 -0.44 0.00 0.00 62.40 63.11 1r1y h SER 89 CO 0.07 -0.17 0.09 -0.33 -0.53 0.00 0.00 176.83 175.96 1r1y h GLU 90 N -0.76 0.21 -0.00 2.24 5.08 -1.25 -0.24 114.58 119.86 1r1y h GLU 90 Ca -0.06 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1r1y h GLU 90 Cb 0.53 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1r1y h GLU 90 CO 0.09 0.14 -0.07 1.25 -1.00 0.00 0.00 179.01 179.42 1r1y h LEU 91 N 0.22 -0.19 -1.64 1.33 5.85 -1.20 0.62 115.31 120.29 1r1y h LEU 91 Ca 0.27 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.98 1r1y h LEU 91 Cb 0.39 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1r1y h LEU 91 CO -0.37 -0.10 -0.19 0.45 -0.34 0.00 0.00 178.44 177.89 1r1y h HIS 92 N -0.12 0.00 0.03 1.25 3.86 -0.59 -0.32 115.15 119.26 1r1y h HIS 92 Ca 0.03 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.10 1r1y h HIS 92 Cb 0.15 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 1r1y h HIS 92 CO -0.14 0.19 -0.74 0.00 0.86 0.00 0.00 177.93 178.10 1r1y h ASP 94 N -0.85 0.28 0.00 0.00 3.45 0.26 -3.31 116.42 116.25 1r1y h ASP 94 Ca -0.19 -0.29 -0.11 0.00 0.43 0.00 0.00 57.03 56.88 1r1y h ASP 94 Cb 1.28 -0.09 -0.02 0.00 -0.56 0.00 0.00 39.33 39.93 1r1y h ASP 94 CO -0.06 1.19 -1.41 0.29 -1.57 0.00 0.00 179.24 177.68 1r1y n LYS 95 N -3.52 1.07 0.08 3.56 4.76 -0.19 -4.74 118.16 119.18 1r1y n LYS 95 Ca -0.05 0.03 0.04 0.00 -2.87 0.00 0.00 58.31 55.45 1r1y n LYS 95 Cb 0.95 -1.15 -0.03 0.00 -1.84 0.00 0.00 35.03 32.97 1r1y n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1r1y h LEU 96 N 0.00 0.00 -1.36 -0.35 3.38 -1.49 -3.49 115.31 112.00 1r1y h LEU 96 Ca -0.16 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.39 1r1y h LEU 96 Cb 1.28 0.00 0.06 0.00 0.09 0.00 0.00 40.66 42.09 1r1y h LEU 96 CO -0.01 0.39 -0.77 1.41 0.09 0.00 0.00 178.44 179.55 1r1y n HIS 97 N -2.91 -2.24 -3.27 1.13 8.25 -0.01 -4.96 115.22 111.21 1r1y n HIS 97 Ca -0.05 0.91 -0.40 0.00 -0.26 0.00 0.00 57.72 57.92 1r1y n HIS 97 Cb 0.73 -4.49 -0.08 0.00 1.12 0.00 0.00 29.99 27.28 1r1y n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1r1y s VAL 98 N -3.45 5.08 -0.00 1.59 1.01 -0.60 -5.03 120.40 119.00 1r1y s VAL 98 Ca 0.30 0.71 -0.32 0.00 0.00 0.00 0.00 61.98 62.68 1r1y s VAL 98 Cb -0.14 -3.82 -0.10 0.00 0.00 0.00 0.00 36.38 32.31 1r1y s VAL 98 CO 0.79 0.05 1.93 -0.67 0.00 0.00 0.00 175.10 177.20 1r1y n ASP 99 N 5.53 3.88 0.32 3.32 4.64 -1.26 -4.78 116.55 128.20 1r1y n ASP 99 Ca -0.05 0.93 0.16 0.00 -1.38 0.00 0.00 54.79 54.45 1r1y n ASP 99 Cb 0.50 -1.47 0.83 0.00 -1.04 0.00 0.00 41.12 39.94 1r1y n ASP 99 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 1r1y h PRO 100 N 9.92 0.00 -0.29 -0.67 0.11 -1.96 -0.51 132.00 138.59 1r1y h PRO 100 Ca -0.49 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.64 1r1y h PRO 100 Cb 1.25 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 1r1y h PRO 100 CO 0.94 0.00 0.20 1.49 -0.21 0.00 0.00 178.00 180.42 1r1y h GLU 101 N 0.00 0.30 -0.21 1.05 4.57 -1.98 -1.07 114.58 117.24 1r1y h GLU 101 Ca 0.00 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 1r1y h GLU 101 Cb 0.54 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.05 1r1y h GLU 101 CO 0.00 0.20 0.09 -0.91 -1.18 0.00 0.00 179.01 177.20 1r1y h ASN 102 N 0.31 0.26 -0.36 1.04 2.35 -1.46 -1.63 115.58 116.09 1r1y h ASN 102 Ca 0.12 -0.02 -0.13 0.00 -0.55 0.00 0.00 56.30 55.72 1r1y h ASN 102 Cb 0.09 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 1r1y h ASN 102 CO -0.02 0.24 -0.28 -0.26 -1.65 0.00 0.00 177.43 175.46 1r1y h PHE 103 N 0.30 1.02 -0.40 1.19 0.04 -1.36 -0.70 116.94 117.02 1r1y h PHE 103 Ca 0.08 -0.26 -0.05 0.00 2.80 0.00 0.00 57.97 60.53 1r1y h PHE 103 Cb 0.07 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 37.97 1r1y h PHE 103 CO 0.00 1.05 0.05 -0.09 -0.60 0.00 0.00 178.31 178.71 1r1y h ARG 104 N 0.75 0.68 -0.42 1.51 2.43 -1.30 0.29 114.38 118.32 1r1y h ARG 104 Ca 0.09 -0.19 -0.05 0.00 -0.81 0.00 0.00 59.98 59.01 1r1y h ARG 104 Cb 0.83 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.29 1r1y h ARG 104 CO 0.07 0.74 0.06 -0.07 -1.51 0.00 0.00 179.97 179.26 1r1y h LEU 105 N 0.52 0.67 -1.19 3.80 3.38 -1.22 -1.79 115.31 119.47 1r1y h LEU 105 Ca 0.12 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1r1y h LEU 105 Cb 0.40 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1r1y h LEU 105 CO 0.01 0.77 0.26 0.25 0.09 0.00 0.00 178.44 179.82 1r1y h LEU 106 N 0.55 0.74 -0.41 1.67 5.85 -0.95 -0.68 115.31 122.07 1r1y h LEU 106 Ca 0.13 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.79 1r1y h LEU 106 Cb 0.39 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 1r1y h LEU 106 CO 0.01 0.65 0.23 1.23 -0.34 0.00 0.00 178.44 180.22 1r1y h GLY 107 N 0.92 0.57 2.00 3.75 0.00 -0.48 0.22 103.07 110.05 1r1y h GLY 107 Ca 0.20 -0.17 -0.11 0.00 0.00 0.00 0.00 47.33 47.25 1r1y h GLY 107 CO -0.02 0.14 -0.52 3.43 0.00 0.00 0.00 176.54 179.56 1r1y h ASN 108 N 0.47 0.00 -0.01 0.19 2.35 -0.91 -2.11 115.58 115.56 1r1y h ASN 108 Ca 0.17 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.74 1r1y h ASN 108 Cb 0.03 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.40 1r1y h ASN 108 CO -0.09 0.52 -0.61 0.58 -1.65 0.00 0.00 177.43 176.18 1r1y h VAL 109 N 0.00 1.32 -0.18 2.81 2.07 -0.50 -2.10 116.25 119.67 1r1y h VAL 109 Ca -0.01 -1.87 0.01 0.00 0.82 0.00 0.00 66.70 65.66 1r1y h VAL 109 Cb 1.06 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 32.65 1r1y h VAL 109 CO 0.07 0.58 0.09 0.25 0.02 0.00 0.00 177.57 178.58 1r1y h LEU 110 N 0.46 0.14 -0.63 2.57 5.85 -0.33 0.13 115.31 123.48 1r1y h LEU 110 Ca -0.01 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.79 1r1y h LEU 110 Cb 1.18 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 42.14 1r1y h LEU 110 CO 0.12 0.11 0.33 0.58 -0.34 0.00 0.00 178.44 179.23 1r1y h VAL 111 N 0.19 0.93 -0.64 1.05 2.07 -1.24 0.28 116.25 118.90 1r1y h VAL 111 Ca 0.07 -0.21 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 1r1y h VAL 111 Cb 0.01 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.03 1r1y h VAL 111 CO -0.05 0.11 0.20 0.00 0.02 0.00 0.00 177.57 177.85 1r1y h VAL 113 N 0.94 1.26 -0.67 0.00 2.07 0.52 -0.49 116.25 119.88 1r1y h VAL 113 Ca 0.21 -1.11 -0.06 0.00 0.82 0.00 0.00 66.70 66.56 1r1y h VAL 113 Cb 0.27 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 1r1y h VAL 113 CO -0.01 0.39 0.19 -0.07 0.02 0.00 0.00 177.57 178.09 1r1y h LEU 114 N 0.83 0.99 -0.77 2.57 3.38 -0.12 0.16 115.31 122.34 1r1y h LEU 114 Ca 0.15 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1r1y h LEU 114 Cb 0.53 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1r1y h LEU 114 CO 0.03 0.95 0.33 0.00 0.09 0.00 0.00 178.44 179.84 1r1y h ALA 115 N 1.08 1.00 -0.49 1.53 0.00 -0.79 -0.19 119.26 121.41 1r1y h ALA 115 Ca 0.21 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 1r1y h ALA 115 Cb 0.33 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1r1y h ALA 115 CO -0.00 0.61 -0.21 1.25 0.00 0.00 0.00 179.25 180.89 1r1y h HIS 116 N 1.11 1.14 -0.26 0.00 -0.00 -0.62 -1.16 115.15 115.37 1r1y h HIS 116 Ca 0.26 -0.28 -0.12 0.00 -0.00 0.00 0.00 60.37 60.23 1r1y h HIS 116 Cb 0.18 -0.27 -0.00 0.00 -0.00 0.00 0.00 27.41 27.32 1r1y h HIS 116 CO 0.02 1.11 -0.33 1.25 -0.00 0.00 0.00 177.93 179.97 1r1y h HIS 117 N 0.86 0.82 0.00 5.26 6.17 -0.37 -3.34 115.15 124.56 1r1y h HIS 117 Ca 0.11 -0.27 0.00 0.00 0.71 0.00 0.00 60.37 60.93 1r1y h HIS 117 Cb 0.79 -0.17 0.00 0.00 2.52 0.00 0.00 27.41 30.56 1r1y h HIS 117 CO 0.05 1.01 -0.99 1.19 0.71 0.00 0.00 177.93 179.90 1r1y n PHE 118 N -4.26 0.07 -2.27 5.26 3.01 -0.11 -5.06 117.46 114.10 1r1y n PHE 118 Ca -0.05 0.02 0.00 0.00 1.01 0.00 0.00 57.45 58.43 1r1y n PHE 118 Cb 0.49 -0.20 0.00 0.00 -0.01 0.00 0.00 39.48 39.76 1r1y n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1r1y n GLY 119 N 1.45 3.13 0.38 1.37 0.00 -0.44 -2.45 105.19 108.63 1r1y n GLY 119 Ca 0.03 -0.22 0.19 0.00 0.00 0.00 0.00 46.02 46.01 1r1y n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1r1y h LYS 120 N 0.00 0.16 -0.23 1.61 2.10 -1.97 0.18 116.57 118.42 1r1y h LYS 120 Ca 0.00 -0.01 0.07 0.00 -2.00 0.00 0.00 60.65 58.71 1r1y h LYS 120 Cb 0.00 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 31.29 1r1y h LYS 120 CO 0.00 0.11 0.20 1.49 -2.00 0.00 0.00 179.45 179.24 1r1y h GLU 121 N 0.16 0.00 -3.79 0.07 4.81 -1.88 -3.02 114.58 110.94 1r1y h GLU 121 Ca 0.30 0.00 -0.73 0.00 -0.13 0.00 0.00 59.36 58.80 1r1y h GLU 121 Cb 0.97 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.27 1r1y h GLU 121 CO -0.05 0.00 2.66 0.34 -0.73 0.00 0.00 179.01 181.24 1r1y n PHE 122 N -4.10 3.28 -0.93 0.92 7.35 0.05 -4.91 117.46 119.11 1r1y n PHE 122 Ca 0.03 -2.90 -0.29 0.00 -0.76 0.00 0.00 57.45 53.53 1r1y n PHE 122 Cb 0.34 -2.30 0.19 0.00 0.35 0.00 0.00 39.48 38.07 1r1y n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1r1y s THR 123 N 2.00 2.17 0.22 -2.13 -4.23 -1.14 -4.68 115.64 107.84 1r1y s THR 123 Ca 0.44 0.06 -0.09 0.00 -1.18 0.00 0.00 61.69 60.92 1r1y s THR 123 Cb 0.12 -2.37 0.16 0.00 1.34 0.00 0.00 72.50 71.75 1r1y s THR 123 CO -0.05 -0.07 1.83 -0.65 -0.54 0.00 0.00 174.62 175.14 1r1y h PRO 124 N -2.08 0.78 -0.43 3.99 0.11 -1.93 0.36 132.00 132.79 1r1y h PRO 124 Ca -0.55 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.45 1r1y h PRO 124 Cb 1.32 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1r1y h PRO 124 CO 0.54 0.51 0.02 -1.35 -0.21 0.00 0.00 178.00 177.51 1r1y h PRO 125 N 0.80 0.69 -0.44 1.05 0.11 -1.98 -0.24 132.00 131.99 1r1y h PRO 125 Ca 0.31 -0.16 -0.15 0.00 0.11 0.00 0.00 66.00 66.11 1r1y h PRO 125 Cb 0.13 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.14 1r1y h PRO 125 CO -0.16 0.69 -0.30 0.28 -0.21 0.00 0.00 178.00 178.30 1r1y h VAL 126 N 0.65 1.27 -0.09 3.15 2.07 -1.74 -2.11 116.25 119.45 1r1y h VAL 126 Ca 0.14 -1.47 -0.00 0.00 0.82 0.00 0.00 66.70 66.18 1r1y h VAL 126 Cb 0.38 1.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1r1y h VAL 126 CO 0.01 0.50 0.05 -0.61 0.02 0.00 0.00 177.57 177.54 1r1y h GLN 127 N 0.82 0.12 -0.94 1.57 4.15 -0.44 -0.75 115.11 119.64 1r1y h GLN 127 Ca 0.09 -0.01 0.10 0.00 0.77 0.00 0.00 58.65 59.60 1r1y h GLN 127 Cb 0.89 -0.02 -0.07 0.00 0.21 0.00 0.00 27.48 28.49 1r1y h GLN 127 CO 0.08 0.14 0.60 0.00 -1.93 0.00 0.00 178.83 177.73 1r1y h ALA 128 N 0.97 1.58 -0.00 3.38 0.00 -0.94 0.55 119.26 124.80 1r1y h ALA 128 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1r1y h ALA 128 Cb 0.05 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1r1y h ALA 128 CO -0.01 0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.46 1r1y h ALA 129 N 1.54 0.00 -0.05 0.00 0.00 -0.73 -2.45 119.26 117.57 1r1y h ALA 129 Ca 0.45 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.23 1r1y h ALA 129 Cb 0.43 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1r1y h ALA 129 CO -0.21 -0.42 -0.18 1.88 0.00 0.00 0.00 179.25 180.32 1r1y h TYR 130 N -0.15 0.08 -0.79 0.00 0.05 0.22 -2.05 116.97 114.33 1r1y h TYR 130 Ca 0.00 -0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.73 1r1y h TYR 130 Cb 0.15 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 37.83 1r1y h TYR 130 CO -0.03 0.26 0.32 1.96 -1.05 0.00 0.00 178.16 179.63 1r1y h GLN 131 N 0.07 1.17 -0.59 4.88 1.08 0.36 0.11 115.11 122.19 1r1y h GLN 131 Ca 0.01 -0.21 -0.09 0.00 -1.45 0.00 0.00 58.65 56.91 1r1y h GLN 131 Cb 0.37 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.58 1r1y h GLN 131 CO 0.03 0.94 0.00 0.87 -0.95 0.00 0.00 178.83 179.72 1r1y h LYS 132 N 1.14 1.04 0.31 1.46 1.57 -0.98 -1.44 116.57 119.66 1r1y h LYS 132 Ca 0.26 -0.32 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1r1y h LYS 132 Cb 0.20 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1r1y h LYS 132 CO -0.02 1.01 -0.15 0.28 -0.57 0.00 0.00 179.45 180.00 1r1y h VAL 133 N 0.95 0.72 -0.29 0.50 2.07 -0.69 0.08 116.25 119.59 1r1y h VAL 133 Ca 0.17 -0.29 -0.06 0.00 0.82 0.00 0.00 66.70 67.35 1r1y h VAL 133 Cb 0.54 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 1r1y h VAL 133 CO 0.03 0.06 -0.06 -0.37 0.02 0.00 0.00 177.57 177.25 1r1y h VAL 134 N -0.57 1.20 -0.46 2.57 -1.51 -0.77 -0.32 116.25 116.39 1r1y h VAL 134 Ca -0.04 -0.85 -0.06 0.00 -1.23 0.00 0.00 66.70 64.51 1r1y h VAL 134 Cb 0.42 1.06 -0.02 0.00 -2.13 0.00 0.00 31.29 30.62 1r1y h VAL 134 CO 0.07 0.28 0.04 0.00 -1.23 0.00 0.00 177.57 176.73 1r1y h ALA 135 N 1.51 0.62 -0.72 5.19 0.00 -1.17 -0.95 119.26 123.73 1r1y h ALA 135 Ca 0.09 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1r1y h ALA 135 Cb 0.38 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1r1y h ALA 135 CO 0.02 0.38 0.25 0.78 0.00 0.00 0.00 179.25 180.67 1r1y h GLY 136 N 0.65 1.19 0.90 0.00 0.00 -0.25 0.13 103.07 105.69 1r1y h GLY 136 Ca 0.14 -0.69 -0.07 0.00 0.00 0.00 0.00 47.33 46.71 1r1y h GLY 136 CO 0.02 0.64 -0.07 -2.08 0.00 0.00 0.00 176.54 175.05 1r1y h VAL 137 N 1.06 1.28 -0.66 4.60 2.07 -1.00 0.19 116.25 123.79 1r1y h VAL 137 Ca 0.24 -1.11 -0.04 0.00 0.82 0.00 0.00 66.70 66.61 1r1y h VAL 137 Cb 0.28 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 1r1y h VAL 137 CO -0.01 0.36 0.26 0.00 0.02 0.00 0.00 177.57 178.19 1r1y h ALA 138 N 0.80 0.86 -0.53 1.67 0.00 -0.97 0.14 119.26 121.23 1r1y h ALA 138 Ca 0.08 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1r1y h ALA 138 Cb 0.56 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1r1y h ALA 138 CO 0.03 0.48 0.08 -0.91 0.00 0.00 0.00 179.25 178.93 1r1y h ASN 139 N 0.93 0.85 -0.38 0.00 -0.26 -0.60 -1.69 115.58 114.43 1r1y h ASN 139 Ca 0.22 -0.26 -0.07 0.00 -0.56 0.00 0.00 56.30 55.62 1r1y h ASN 139 Cb 0.22 -0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 37.23 1r1y h ASN 139 CO -0.02 0.90 -0.01 0.00 -1.06 0.00 0.00 177.43 177.24 1r1y h ALA 140 N 0.98 1.11 0.00 -0.83 0.00 -0.63 -0.40 119.26 119.50 1r1y h ALA 140 Ca 0.16 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 1r1y h ALA 140 Cb 0.41 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1r1y h ALA 140 CO 0.01 0.56 -0.41 -0.07 0.00 0.00 0.00 179.25 179.35 1r1y h LEU 141 N 0.72 0.00 0.00 0.00 3.38 -0.73 -3.01 115.31 115.67 1r1y h LEU 141 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1r1y h LEU 141 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1r1y h LEU 141 CO 0.02 0.41 -0.70 0.00 0.09 0.00 0.00 178.44 178.26 1r1y n ALA 142 N -2.30 3.25 -0.16 1.53 0.00 -0.66 -4.31 120.51 117.85 1r1y n ALA 142 Ca -0.00 -0.32 0.07 0.00 0.00 0.00 0.00 53.44 53.19 1r1y n ALA 142 Cb 0.54 -1.10 0.38 0.00 0.00 0.00 0.00 19.45 19.27 1r1y n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1r1y h HIS 143 N 0.00 0.70 -0.01 0.00 6.17 -0.94 -2.51 115.15 118.56 1r1y h HIS 143 Ca 0.00 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.10 1r1y h HIS 143 Cb 0.67 -0.23 0.00 0.00 2.52 0.00 0.00 27.41 30.37 1r1y h HIS 143 CO 0.00 0.36 0.00 1.63 0.71 0.00 0.00 177.93 180.63 1r1y n LYS 144 N -4.48 1.49 -1.89 5.26 4.76 -1.26 -4.93 118.16 117.11 1r1y n LYS 144 Ca 0.10 -0.72 -0.38 0.00 -2.87 0.00 0.00 58.31 54.45 1r1y n LYS 144 Cb 0.26 -1.48 0.03 0.00 -1.84 0.00 0.00 35.03 31.99 1r1y n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1r1y s TYR 145 N -2.00 2.40 0.00 2.13 2.02 -0.95 -4.74 117.35 116.22 1r1y s TYR 145 Ca 0.40 1.42 0.00 0.00 -0.37 0.00 0.00 57.07 58.52 1r1y s TYR 145 Cb 0.21 -3.69 0.00 0.00 -0.40 0.00 0.00 41.96 38.08 1r1y s TYR 145 CO 0.34 -2.59 0.00 -2.39 -1.57 0.00 0.00 175.55 169.35