#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y4r s LEU 2 N 0.00 4.23 0.79 7.52 1.43 -1.26 -5.02 118.68 126.38 1y4r s LEU 2 Ca 0.00 1.84 -0.11 0.00 -1.03 0.00 0.00 54.13 54.83 1y4r s LEU 2 Cb 0.00 -3.54 0.08 0.00 0.03 0.00 0.00 46.19 42.75 1y4r s LEU 2 CO 0.00 -0.74 1.15 -0.94 0.23 0.00 0.00 176.35 176.05 1y4r s SER 3 N 2.05 4.56 0.28 2.29 1.04 -1.26 -4.86 113.70 117.80 1y4r s SER 3 Ca 0.58 0.72 0.01 0.00 0.48 0.00 0.00 55.95 57.75 1y4r s SER 3 Cb -0.25 -1.24 0.40 0.00 0.10 0.00 0.00 66.02 65.03 1y4r s SER 3 CO 0.19 -1.85 1.75 -0.65 0.98 0.00 0.00 173.24 173.66 1y4r h PRO 4 N -0.98 0.60 -0.61 4.02 0.11 -1.99 -0.62 132.00 132.53 1y4r h PRO 4 Ca -0.46 -0.19 -0.02 0.00 0.11 0.00 0.00 66.00 65.44 1y4r h PRO 4 Cb 1.33 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.36 1y4r h PRO 4 CO 0.65 0.72 0.29 0.00 -0.21 0.00 0.00 178.00 179.45 1y4r h ALA 5 N 1.30 0.78 0.24 -0.75 0.00 -1.99 -1.00 119.26 117.84 1y4r h ALA 5 Ca 0.09 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1y4r h ALA 5 Cb 0.57 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1y4r h ALA 5 CO 0.04 0.35 -0.19 -0.44 0.00 0.00 0.00 179.25 179.01 1y4r h ASP 6 N 0.83 -0.48 -0.94 0.00 3.32 -1.80 0.18 116.42 117.53 1y4r h ASP 6 Ca 0.21 0.04 0.06 0.00 0.02 0.00 0.00 57.03 57.36 1y4r h ASP 6 Cb 0.12 0.16 -0.06 0.00 0.22 0.00 0.00 39.33 39.77 1y4r h ASP 6 CO -0.03 -0.29 0.61 0.11 -1.72 0.00 0.00 179.24 177.93 1y4r h LYS 7 N -0.44 1.05 0.53 3.56 1.57 -0.86 -0.26 116.57 121.73 1y4r h LYS 7 Ca -0.01 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 1y4r h LYS 7 Cb 0.39 -0.24 0.01 0.00 0.08 0.00 0.00 32.23 32.46 1y4r h LYS 7 CO -0.01 0.70 -0.25 1.15 -0.57 0.00 0.00 179.45 180.46 1y4r h THR 8 N 1.08 0.47 -0.45 -0.16 2.02 -0.67 -1.71 112.91 113.49 1y4r h THR 8 Ca 0.41 -0.10 0.09 0.00 0.77 0.00 0.00 66.41 67.57 1y4r h THR 8 Cb 0.19 0.51 -0.09 0.00 -1.74 0.00 0.00 68.15 67.02 1y4r h THR 8 CO -0.16 0.02 -0.19 0.78 0.37 0.00 0.00 175.52 176.34 1y4r h ASN 9 N -0.78 -0.67 0.08 4.18 2.35 -0.15 -1.08 115.58 119.51 1y4r h ASN 9 Ca -0.07 0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1y4r h ASN 9 Cb 0.57 0.37 -0.01 0.00 0.05 0.00 0.00 38.32 39.31 1y4r h ASN 9 CO 0.12 -0.23 -0.07 0.58 -1.65 0.00 0.00 177.43 176.18 1y4r h VAL 10 N -0.10 0.83 -0.24 2.81 2.07 -0.99 -1.01 116.25 119.62 1y4r h VAL 10 Ca 0.21 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.70 1y4r h VAL 10 Cb 0.43 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1y4r h VAL 10 CO -0.51 0.00 0.00 0.11 0.02 0.00 0.00 177.57 177.19 1y4r h LYS 11 N -0.17 0.35 0.64 1.57 1.57 -1.00 0.21 116.57 119.73 1y4r h LYS 11 Ca 0.00 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1y4r h LYS 11 Cb 0.16 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.42 1y4r h LYS 11 CO -0.02 0.38 -0.31 0.00 -0.57 0.00 0.00 179.45 178.93 1y4r h ALA 12 N 1.67 -0.94 -0.56 3.86 0.00 -0.80 0.47 119.26 122.96 1y4r h ALA 12 Ca 0.08 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 54.91 1y4r h ALA 12 Cb 0.23 0.33 -0.09 0.00 0.00 0.00 0.00 17.79 18.26 1y4r h ALA 12 CO 0.01 -0.88 0.04 0.00 0.00 0.00 0.00 179.25 178.42 1y4r h ALA 13 N -1.35 0.57 0.00 0.00 0.00 -1.06 0.13 119.26 117.55 1y4r h ALA 13 Ca -0.09 0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1y4r h ALA 13 Cb 0.66 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1y4r h ALA 13 CO 0.14 -0.36 -0.39 2.35 0.00 0.00 0.00 179.25 180.99 1y4r h TRP 14 N 0.16 0.00 -0.81 0.00 2.91 -1.02 -2.53 115.95 114.66 1y4r h TRP 14 Ca 0.29 0.00 0.03 0.00 1.13 0.00 0.00 58.89 60.33 1y4r h TRP 14 Cb 0.44 0.00 -0.05 0.00 -0.51 0.00 0.00 29.16 29.04 1y4r h TRP 14 CO -0.30 0.39 0.52 0.78 -1.03 0.00 0.00 178.44 178.79 1y4r h GLY 15 N 1.60 1.16 1.98 2.65 0.00 0.16 -2.19 103.07 108.43 1y4r h GLY 15 Ca -0.00 -0.40 -0.13 0.00 0.00 0.00 0.00 47.33 46.80 1y4r h GLY 15 CO 0.05 0.35 -0.59 0.50 0.00 0.00 0.00 176.54 176.85 1y4r h LYS 16 N 1.02 0.02 -0.25 4.80 1.79 -0.91 -3.22 116.57 119.83 1y4r h LYS 16 Ca 0.32 -0.02 0.05 0.00 -2.18 0.00 0.00 60.65 58.82 1y4r h LYS 16 Cb -0.02 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.59 1y4r h LYS 16 CO -0.10 0.60 -0.07 0.28 -1.08 0.00 0.00 179.45 179.08 1y4r h VAL 17 N 0.02 0.74 0.00 0.50 2.07 -1.14 -3.46 116.25 114.98 1y4r h VAL 17 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1y4r h VAL 17 Cb 1.04 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1y4r h VAL 17 CO 0.08 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.28 1y4r n GLY 18 N -1.23 3.01 0.00 2.17 0.00 -1.19 -1.68 105.19 106.26 1y4r n GLY 18 Ca -0.01 -0.05 0.04 0.00 0.00 0.00 0.00 46.02 46.00 1y4r n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y4r n ALA 19 N 9.24 1.88 0.97 4.61 0.00 -1.26 -2.47 120.51 133.47 1y4r n ALA 19 Ca 0.00 -0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.49 1y4r n ALA 19 Cb 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.31 1y4r n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1y4r n HIS 20 N -0.91 0.00 -0.26 0.00 8.25 -0.68 -4.60 115.22 117.02 1y4r n HIS 20 Ca 0.07 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.59 1y4r n HIS 20 Cb 0.03 0.00 0.17 0.00 1.12 0.00 0.00 29.99 31.31 1y4r n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1y4r h ALA 21 N 3.82 0.84 -0.60 -1.41 0.00 -1.60 0.15 119.26 120.46 1y4r h ALA 21 Ca 0.00 0.24 0.03 0.00 0.00 0.00 0.00 54.91 55.18 1y4r h ALA 21 Cb 0.75 0.40 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 1y4r h ALA 21 CO 0.00 -0.42 0.36 0.78 0.00 0.00 0.00 179.25 179.97 1y4r h GLY 22 N 0.12 0.86 1.52 0.00 0.00 -1.84 0.41 103.07 104.13 1y4r h GLY 22 Ca 0.43 -0.27 -0.10 0.00 0.00 0.00 0.00 47.33 47.38 1y4r h GLY 22 CO -0.66 0.23 -0.25 0.83 0.00 0.00 0.00 176.54 176.69 1y4r h GLU 23 N 0.72 0.55 -0.05 4.80 5.08 -1.36 -0.33 114.58 123.99 1y4r h GLU 23 Ca 0.24 -0.21 -0.19 0.00 -1.00 0.00 0.00 59.36 58.20 1y4r h GLU 23 Cb 0.03 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1y4r h GLU 23 CO -0.11 0.76 -0.77 1.88 -1.00 0.00 0.00 179.01 179.77 1y4r h TYR 24 N 0.49 0.47 0.59 4.33 0.05 -0.52 0.13 116.97 122.50 1y4r h TYR 24 Ca 0.07 -0.22 -0.03 0.00 0.05 0.00 0.00 58.73 58.60 1y4r h TYR 24 Cb 0.69 -0.07 0.01 0.00 1.01 0.00 0.00 36.73 38.37 1y4r h TYR 24 CO 0.03 0.98 -0.28 0.78 -1.05 0.00 0.00 178.16 178.62 1y4r h GLY 25 N 1.43 -0.83 0.01 3.88 0.00 0.17 -1.30 103.07 106.43 1y4r h GLY 25 Ca -0.04 0.31 0.17 0.00 0.00 0.00 0.00 47.33 47.77 1y4r h GLY 25 CO 0.13 -0.30 0.31 0.00 0.00 0.00 0.00 176.54 176.68 1y4r h ALA 26 N -0.70 1.16 -0.46 3.60 0.00 -1.04 -1.33 119.26 120.50 1y4r h ALA 26 Ca -0.08 0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1y4r h ALA 26 Cb 0.66 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1y4r h ALA 26 CO 0.13 -0.26 -0.14 1.49 0.00 0.00 0.00 179.25 180.47 1y4r h GLU 27 N 0.41 0.86 -0.70 0.00 4.81 -0.50 -2.51 114.58 116.96 1y4r h GLU 27 Ca 0.46 -0.32 -0.05 0.00 -0.13 0.00 0.00 59.36 59.32 1y4r h GLU 27 Cb 0.76 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.06 1y4r h GLU 27 CO -0.46 0.95 0.24 0.00 -0.73 0.00 0.00 179.01 179.01 1y4r h ALA 28 N 1.06 1.11 -0.13 2.92 0.00 -0.15 -1.55 119.26 122.52 1y4r h ALA 28 Ca 0.12 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1y4r h ALA 28 Cb 0.66 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1y4r h ALA 28 CO 0.05 0.62 -0.01 -0.07 0.00 0.00 0.00 179.25 179.83 1y4r h LEU 29 N 1.02 0.23 -0.86 0.00 3.38 -1.21 -0.69 115.31 117.19 1y4r h LEU 29 Ca 0.23 -0.34 0.11 0.00 0.09 0.00 0.00 57.88 57.97 1y4r h LEU 29 Cb 0.25 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 40.86 1y4r h LEU 29 CO -0.01 0.51 0.50 -0.08 0.09 0.00 0.00 178.44 179.45 1y4r h GLU 30 N -0.05 0.77 -0.16 1.13 4.81 -1.22 0.23 114.58 120.10 1y4r h GLU 30 Ca 0.03 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.12 1y4r h GLU 30 Cb 0.40 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 1y4r h GLU 30 CO 0.01 0.51 -0.34 0.00 -0.73 0.00 0.00 179.01 178.47 1y4r h ARG 31 N 0.80 0.32 -0.25 1.92 3.08 -1.13 -2.68 114.38 116.44 1y4r h ARG 31 Ca 0.43 -0.14 -0.09 0.00 0.07 0.00 0.00 59.98 60.25 1y4r h ARG 31 Cb 0.44 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 1y4r h ARG 31 CO -0.27 0.63 -0.19 1.98 -1.07 0.00 0.00 179.97 181.04 1y4r h MET 32 N 0.28 0.57 -0.90 0.04 4.05 0.92 -1.76 114.93 118.13 1y4r h MET 32 Ca 0.03 -0.28 0.00 0.00 -0.28 0.00 0.00 59.70 59.17 1y4r h MET 32 Cb 0.73 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.49 1y4r h MET 32 CO 0.06 0.86 0.57 0.74 0.23 0.00 0.00 176.91 179.37 1y4r h PHE 33 N 0.28 1.16 0.14 1.39 0.04 -0.73 0.18 116.94 119.39 1y4r h PHE 33 Ca 0.05 0.01 -0.29 0.00 2.80 0.00 0.00 57.97 60.54 1y4r h PHE 33 Cb 0.73 -0.39 0.03 0.00 2.20 0.00 0.00 35.95 38.53 1y4r h PHE 33 CO 0.07 0.76 -1.20 -0.07 -0.60 0.00 0.00 178.31 177.27 1y4r h LEU 34 N 1.23 0.82 0.13 1.54 3.38 -1.48 -3.22 115.31 117.72 1y4r h LEU 34 Ca 0.33 -0.85 -0.28 0.00 0.09 0.00 0.00 57.88 57.17 1y4r h LEU 34 Cb -0.09 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.40 1y4r h LEU 34 CO -0.07 1.59 -1.30 0.28 0.09 0.00 0.00 178.44 179.04 1y4r h SER 35 N 0.17 0.44 -2.68 -0.43 0.02 -1.24 -3.40 113.55 106.43 1y4r h SER 35 Ca -0.19 -0.49 -0.60 0.00 -0.84 0.00 0.00 61.79 59.67 1y4r h SER 35 Cb 1.89 -0.14 -0.40 0.00 0.14 0.00 0.00 62.40 63.89 1y4r h SER 35 CO 0.23 1.39 -0.79 0.49 -1.14 0.00 0.00 176.83 177.01 1y4r n PHE 36 N -3.53 1.06 0.27 3.45 3.01 0.61 -4.97 117.46 117.35 1y4r n PHE 36 Ca -0.10 -3.78 0.16 0.00 1.01 0.00 0.00 57.45 54.74 1y4r n PHE 36 Cb 1.03 -0.16 0.84 0.00 -0.01 0.00 0.00 39.48 41.18 1y4r n PHE 36 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1y4r h PRO 37 N 5.46 0.00 0.00 -1.08 0.13 -1.72 -1.03 132.00 133.76 1y4r h PRO 37 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 1y4r h PRO 37 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1y4r h PRO 37 CO 0.54 0.00 0.00 1.79 -0.23 0.00 0.00 178.00 180.10 1y4r h THR 38 N 0.00 0.00 0.00 1.56 1.35 -1.91 -2.22 112.91 111.70 1y4r h THR 38 Ca 0.00 -0.37 -0.04 0.00 -0.55 0.00 0.00 66.41 65.45 1y4r h THR 38 Cb 0.09 1.37 -0.01 0.00 -1.73 0.00 0.00 68.15 67.87 1y4r h THR 38 CO 0.00 0.00 -0.19 0.71 -0.25 0.00 0.00 175.52 175.79 1y4r h THR 39 N 0.00 0.54 0.00 6.82 1.35 -1.51 -2.96 112.91 117.15 1y4r h THR 39 Ca 0.00 -0.91 -0.01 0.00 -0.55 0.00 0.00 66.41 64.94 1y4r h THR 39 Cb 0.37 1.62 -0.00 0.00 -1.73 0.00 0.00 68.15 68.40 1y4r h THR 39 CO 0.00 0.18 -0.04 0.11 -0.25 0.00 0.00 175.52 175.52 1y4r h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.57 -2.99 116.57 118.29 1y4r h LYS 40 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1y4r h LYS 40 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.91 1y4r h LYS 40 CO 0.02 0.04 0.08 1.79 -0.57 0.00 0.00 179.45 180.81 1y4r h THR 41 N 0.00 0.00 -0.02 -0.16 1.35 -1.71 0.47 112.91 112.84 1y4r h THR 41 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1y4r h THR 41 Cb 0.16 0.80 0.00 0.00 -1.73 0.00 0.00 68.15 67.38 1y4r h THR 41 CO 0.00 0.00 -0.03 -1.22 -0.25 0.00 0.00 175.52 174.03 1y4r n TYR 42 N -2.84 0.00 -2.48 4.73 4.01 -1.13 -4.31 117.16 115.14 1y4r n TYR 42 Ca -0.02 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.61 1y4r n TYR 42 Cb 0.14 -0.01 0.04 0.00 -0.31 0.00 0.00 39.34 39.20 1y4r n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1y4r n PHE 43 N 0.52 1.93 0.12 -0.72 3.01 0.16 -4.88 117.46 117.61 1y4r n PHE 43 Ca 0.17 -2.21 0.18 0.00 1.01 0.00 0.00 57.45 56.60 1y4r n PHE 43 Cb 0.44 -0.28 0.76 0.00 -0.01 0.00 0.00 39.48 40.39 1y4r n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1y4r h PRO 44 N 2.44 0.00 -0.13 -1.08 0.13 -1.75 -0.03 132.00 131.58 1y4r h PRO 44 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1y4r h PRO 44 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 1y4r h PRO 44 CO 0.45 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 175.83 1y4r n HIS 45 N -4.00 0.16 -4.09 1.56 1.44 -1.26 -4.89 115.22 104.14 1y4r n HIS 45 Ca 0.05 -0.08 -0.23 0.00 -2.01 0.00 0.00 57.72 55.45 1y4r n HIS 45 Cb 0.46 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.53 1y4r n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1y4r s PHE 46 N -1.84 3.16 -0.49 -1.40 2.99 -0.03 -5.06 117.98 115.31 1y4r s PHE 46 Ca 0.32 -0.08 -0.17 0.00 0.00 0.00 0.00 56.93 57.01 1y4r s PHE 46 Cb 0.17 -1.44 0.07 0.00 0.00 0.00 0.00 43.02 41.82 1y4r s PHE 46 CO 0.26 0.51 0.48 0.34 -0.00 0.00 0.00 175.22 176.81 1y4r s ASP 47 N -3.70 6.17 -0.04 1.36 2.15 -1.26 -4.93 116.67 116.43 1y4r s ASP 47 Ca 0.33 -1.21 0.09 0.00 0.43 0.00 0.00 52.55 52.19 1y4r s ASP 47 Cb -0.08 -2.22 0.32 0.00 -0.30 0.00 0.00 42.92 40.64 1y4r s ASP 47 CO 0.25 -0.74 1.19 0.18 -0.17 0.00 0.00 175.17 175.88 1y4r n LEU 48 N 5.53 2.25 -4.77 -1.34 4.77 -1.26 -4.45 117.00 117.74 1y4r n LEU 48 Ca -0.11 -1.13 -0.34 0.00 -0.03 0.00 0.00 56.01 54.40 1y4r n LEU 48 Cb 0.44 -0.35 0.03 0.00 -2.33 0.00 0.00 43.42 41.21 1y4r n LEU 48 CO 0.50 0.44 0.77 -0.94 -1.33 0.00 0.00 177.39 176.83 1y4r s SER 49 N -0.78 5.34 0.13 -1.43 1.04 -1.26 -4.93 113.70 111.81 1y4r s SER 49 Ca 0.23 2.12 -0.31 0.00 0.48 0.00 0.00 55.95 58.47 1y4r s SER 49 Cb 0.14 -2.57 -0.10 0.00 0.10 0.00 0.00 66.02 63.59 1y4r s SER 49 CO 0.13 -1.47 1.77 -2.28 0.98 0.00 0.00 173.24 172.37 1y4r s HIS 50 N -2.03 2.37 0.00 5.02 2.46 -1.26 -2.02 115.29 119.83 1y4r s HIS 50 Ca 0.70 0.12 0.00 0.00 0.47 0.00 0.00 55.06 56.36 1y4r s HIS 50 Cb -0.23 -4.13 0.00 0.00 -0.13 0.00 0.00 32.58 28.09 1y4r s HIS 50 CO 0.35 -4.56 0.00 0.41 -2.47 0.00 0.00 174.74 168.47 1y4r n GLY 51 N 4.13 0.60 3.75 1.59 0.00 -1.26 -5.03 105.19 108.96 1y4r n GLY 51 Ca 0.17 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1y4r n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y4r s SER 52 N -2.02 6.64 0.49 1.61 1.04 -0.86 -4.88 113.70 115.72 1y4r s SER 52 Ca 0.00 2.69 0.24 0.00 0.48 0.00 0.00 55.95 59.36 1y4r s SER 52 Cb 0.00 -2.63 1.29 0.00 0.10 0.00 0.00 66.02 64.79 1y4r s SER 52 CO 0.00 -0.71 2.03 0.00 0.98 0.00 0.00 173.24 175.54 1y4r h ALA 53 N 4.92 1.35 -0.30 5.32 0.00 -1.90 0.20 119.26 128.85 1y4r h ALA 53 Ca -0.46 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.21 1y4r h ALA 53 Cb 1.22 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1y4r h ALA 53 CO 0.77 0.19 -0.19 1.96 0.00 0.00 0.00 179.25 181.98 1y4r h GLN 54 N 0.00 0.66 -0.26 0.00 4.20 -1.90 0.19 115.11 118.01 1y4r h GLN 54 Ca -0.00 -0.31 -0.10 0.00 0.06 0.00 0.00 58.65 58.30 1y4r h GLN 54 Cb 0.38 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.14 1y4r h GLN 54 CO 0.02 0.91 -0.22 0.28 -0.67 0.00 0.00 178.83 179.15 1y4r h VAL 55 N 0.42 1.31 0.16 -0.54 2.07 -1.58 -1.34 116.25 116.74 1y4r h VAL 55 Ca 0.06 -1.37 0.01 0.00 0.82 0.00 0.00 66.70 66.22 1y4r h VAL 55 Cb 0.73 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 1y4r h VAL 55 CO 0.05 0.43 -0.21 0.11 0.02 0.00 0.00 177.57 177.98 1y4r h LYS 56 N 0.32 -0.40 -0.53 1.57 1.57 -0.50 0.42 116.57 119.02 1y4r h LYS 56 Ca 0.05 0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.90 1y4r h LYS 56 Cb 0.77 0.09 -0.05 0.00 0.08 0.00 0.00 32.23 33.13 1y4r h LYS 56 CO 0.06 -0.27 0.27 0.78 -0.57 0.00 0.00 179.45 179.71 1y4r h GLY 57 N -0.42 0.74 1.23 3.86 0.00 -0.62 -1.80 103.07 106.06 1y4r h GLY 57 Ca 0.01 -0.18 -0.04 0.00 0.00 0.00 0.00 47.33 47.12 1y4r h GLY 57 CO -0.08 0.11 0.23 0.84 0.00 0.00 0.00 176.54 177.64 1y4r h HIS 58 N 0.52 0.99 -0.79 5.60 -0.00 -0.82 -2.28 115.15 118.37 1y4r h HIS 58 Ca 0.23 -0.08 0.03 0.00 -0.00 0.00 0.00 60.37 60.55 1y4r h HIS 58 Cb 0.14 -0.30 -0.05 0.00 -0.00 0.00 0.00 27.41 27.21 1y4r h HIS 58 CO -0.10 0.78 0.51 0.78 -0.00 0.00 0.00 177.93 179.90 1y4r h GLY 59 N 1.04 1.14 0.95 5.26 0.00 -0.29 -0.58 103.07 110.59 1y4r h GLY 59 Ca 0.22 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 1y4r h GLY 59 CO -0.01 0.34 -0.13 1.70 0.00 0.00 0.00 176.54 178.44 1y4r h LYS 60 N 1.00 -0.35 -0.50 4.80 3.64 -0.88 -0.83 116.57 123.46 1y4r h LYS 60 Ca 0.31 0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.82 1y4r h LYS 60 Cb -0.02 0.08 -0.10 0.00 -0.41 0.00 0.00 32.23 31.78 1y4r h LYS 60 CO -0.10 -0.19 -0.15 0.87 -2.27 0.00 0.00 179.45 177.61 1y4r h LYS 61 N -0.41 -0.03 -0.30 1.90 1.57 -0.97 0.34 116.57 118.67 1y4r h LYS 61 Ca -0.04 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1y4r h LYS 61 Cb 0.31 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1y4r h LYS 61 CO 0.06 -0.02 0.08 0.28 -0.57 0.00 0.00 179.45 179.28 1y4r h VAL 62 N -0.03 1.21 -0.11 0.50 2.07 -0.95 -2.58 116.25 116.36 1y4r h VAL 62 Ca 0.24 -0.70 0.04 0.00 0.82 0.00 0.00 66.70 67.09 1y4r h VAL 62 Cb 0.40 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 1y4r h VAL 62 CO -0.53 0.23 -0.13 0.00 0.02 0.00 0.00 177.57 177.16 1y4r h ALA 63 N 0.91 -0.05 -0.69 1.67 0.00 -0.43 -2.18 119.26 118.49 1y4r h ALA 63 Ca 0.09 0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.16 1y4r h ALA 63 Cb 0.28 0.26 -0.08 0.00 0.00 0.00 0.00 17.79 18.25 1y4r h ALA 63 CO 0.00 -0.58 0.30 -0.44 0.00 0.00 0.00 179.25 178.53 1y4r h ASP 64 N -0.16 0.34 -0.60 0.00 5.19 -0.87 -0.68 116.42 119.63 1y4r h ASP 64 Ca 0.08 0.08 -0.03 0.00 -0.62 0.00 0.00 57.03 56.54 1y4r h ASP 64 Cb 0.28 0.03 -0.03 0.00 0.18 0.00 0.00 39.33 39.79 1y4r h ASP 64 CO -0.21 0.18 0.27 0.00 -3.12 0.00 0.00 179.24 176.36 1y4r h ALA 65 N 1.45 1.28 -0.46 3.45 0.00 -1.06 -0.99 119.26 122.94 1y4r h ALA 65 Ca 0.35 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 1y4r h ALA 65 Cb 0.44 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1y4r h ALA 65 CO -0.31 0.54 0.10 -0.07 0.00 0.00 0.00 179.25 179.51 1y4r h LEU 66 N 0.91 0.70 0.07 0.00 3.38 -0.57 -0.87 115.31 118.92 1y4r h LEU 66 Ca 0.22 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 57.97 1y4r h LEU 66 Cb 0.15 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1y4r h LEU 66 CO -0.02 0.76 -0.18 0.74 0.09 0.00 0.00 178.44 179.83 1y4r h THR 67 N 0.61 0.59 -0.58 0.22 2.02 -0.78 0.13 112.91 115.13 1y4r h THR 67 Ca 0.14 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.41 1y4r h THR 67 Cb 0.34 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 1y4r h THR 67 CO 0.00 0.00 0.39 -1.13 0.37 0.00 0.00 175.52 175.15 1y4r h ASN 68 N -0.32 0.39 0.28 4.18 -1.24 -1.00 -0.12 115.58 117.75 1y4r h ASN 68 Ca 0.03 0.01 -0.23 0.00 0.71 0.00 0.00 56.30 56.82 1y4r h ASN 68 Cb 0.36 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 39.34 1y4r h ASN 68 CO -0.12 0.24 -0.93 0.00 -1.29 0.00 0.00 177.43 175.33 1y4r h ALA 69 N 1.70 0.35 -0.44 1.57 0.00 0.22 -2.58 119.26 120.08 1y4r h ALA 69 Ca 0.26 -0.70 -0.04 0.00 0.00 0.00 0.00 54.91 54.44 1y4r h ALA 69 Cb 0.46 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1y4r h ALA 69 CO -0.07 0.79 0.13 0.28 0.00 0.00 0.00 179.25 180.38 1y4r h VAL 70 N 0.26 1.22 -0.68 0.00 2.07 0.50 0.59 116.25 120.21 1y4r h VAL 70 Ca -0.08 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.70 1y4r h VAL 70 Cb 1.57 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 32.18 1y4r h VAL 70 CO 0.17 0.27 0.43 0.00 0.02 0.00 0.00 177.57 178.45 1y4r h ALA 71 N 0.98 1.48 -0.75 1.67 0.00 -1.11 -2.71 119.26 118.81 1y4r h ALA 71 Ca 0.14 -0.06 -0.53 0.00 0.00 0.00 0.00 54.91 54.46 1y4r h ALA 71 Cb 0.27 -0.28 -0.35 0.00 0.00 0.00 0.00 17.79 17.43 1y4r h ALA 71 CO -0.00 0.47 -0.32 0.72 0.00 0.00 0.00 179.25 180.12 1y4r n HIS 72 N -4.42 2.64 0.18 0.00 8.25 -0.97 -4.76 115.22 116.14 1y4r n HIS 72 Ca 0.07 -2.35 0.19 0.00 -0.26 0.00 0.00 57.72 55.37 1y4r n HIS 72 Cb 0.05 -0.63 0.78 0.00 1.12 0.00 0.00 29.99 31.31 1y4r n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1y4r h VAL 73 N 1.74 0.28 0.00 1.59 3.04 -0.55 0.33 116.25 122.68 1y4r h VAL 73 Ca 0.41 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.10 1y4r h VAL 73 Cb 1.36 0.68 0.00 0.00 -2.01 0.00 0.00 31.29 31.32 1y4r h VAL 73 CO 0.91 0.00 -0.50 0.44 -1.01 0.00 0.00 177.57 177.41 1y4r h ASP 74 N 0.00 0.00 -0.73 3.17 3.32 -1.86 -3.39 116.42 116.94 1y4r h ASP 74 Ca 0.12 -0.06 -0.31 0.00 0.02 0.00 0.00 57.03 56.80 1y4r h ASP 74 Cb 0.87 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 40.05 1y4r h ASP 74 CO -0.00 0.03 -1.07 -0.67 -1.72 0.00 0.00 179.24 175.81 1y4r n ASP 75 N -2.56 1.06 -0.06 6.45 2.03 0.11 -4.98 116.55 118.60 1y4r n ASP 75 Ca 0.03 -2.49 -0.07 0.00 0.52 0.00 0.00 54.79 52.77 1y4r n ASP 75 Cb 0.50 -0.33 -0.01 0.00 -0.72 0.00 0.00 41.12 40.55 1y4r n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1y4r h MET 76 N 2.73 -0.01 -1.00 -0.67 2.86 -1.51 0.30 114.93 117.63 1y4r h MET 76 Ca -0.14 0.00 0.22 0.00 -2.06 0.00 0.00 59.70 57.72 1y4r h MET 76 Cb 1.22 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 32.77 1y4r h MET 76 CO 0.34 -0.01 0.61 -1.35 1.06 0.00 0.00 176.91 177.56 1y4r h PRO 77 N -0.01 0.65 0.15 -0.22 0.11 -1.93 0.49 132.00 131.23 1y4r h PRO 77 Ca 0.13 -0.04 -0.26 0.00 0.11 0.00 0.00 66.00 65.94 1y4r h PRO 77 Cb 0.21 -0.15 0.01 0.00 0.11 0.00 0.00 31.00 31.19 1y4r h PRO 77 CO -0.28 0.43 -1.21 -0.91 -0.21 0.00 0.00 178.00 175.83 1y4r h ASN 78 N 0.67 0.51 0.14 -2.05 4.21 -1.79 -2.79 115.58 114.48 1y4r h ASN 78 Ca 0.61 -0.91 -0.02 0.00 1.21 0.00 0.00 56.30 57.19 1y4r h ASN 78 Cb 1.06 -0.17 -0.00 0.00 -1.12 0.00 0.00 38.32 38.09 1y4r h ASN 78 CO -0.41 1.56 -0.09 0.00 -1.29 0.00 0.00 177.43 177.20 1y4r h ALA 79 N 0.05 1.61 -0.30 -0.83 0.00 0.91 -3.09 119.26 117.61 1y4r h ALA 79 Ca -0.23 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1y4r h ALA 79 Cb 1.80 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.58 1y4r h ALA 79 CO 0.14 0.11 0.00 1.28 0.00 0.00 0.00 179.25 180.78 1y4r n LEU 80 N -4.08 3.38 -0.38 0.00 4.77 0.16 -4.80 117.00 116.05 1y4r n LEU 80 Ca -0.03 -2.50 -0.10 0.00 -0.03 0.00 0.00 56.01 53.35 1y4r n LEU 80 Cb 0.17 -0.38 -0.08 0.00 -2.33 0.00 0.00 43.42 40.80 1y4r n LEU 80 CO 0.32 0.70 0.50 0.77 -1.33 0.00 0.00 177.39 178.35 1y4r h SER 81 N 1.87 -2.03 -0.47 -1.43 4.64 -1.41 0.47 113.55 115.19 1y4r h SER 81 Ca 0.00 0.32 0.07 0.00 -0.47 0.00 0.00 61.79 61.70 1y4r h SER 81 Cb 1.08 0.91 -0.06 0.00 -0.31 0.00 0.00 62.40 64.02 1y4r h SER 81 CO 0.11 -0.26 0.15 0.00 -0.87 0.00 0.00 176.83 175.96 1y4r h ALA 82 N 0.54 0.56 -0.32 5.18 0.00 -1.87 -0.74 119.26 122.61 1y4r h ALA 82 Ca 0.17 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 1y4r h ALA 82 Cb 0.46 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1y4r h ALA 82 CO -0.90 -0.25 -0.21 -0.07 0.00 0.00 0.00 179.25 177.82 1y4r h LEU 83 N 0.31 0.60 -0.74 0.00 4.07 -1.74 0.04 115.31 117.86 1y4r h LEU 83 Ca 0.23 -0.20 -0.13 0.00 0.08 0.00 0.00 57.88 57.86 1y4r h LEU 83 Cb 0.25 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.82 1y4r h LEU 83 CO -0.25 0.82 -0.44 0.28 -1.08 0.00 0.00 178.44 177.76 1y4r h SER 84 N 0.53 0.45 0.70 -0.43 0.02 -0.11 -2.34 113.55 112.37 1y4r h SER 84 Ca 0.08 -0.21 -0.03 0.00 -0.84 0.00 0.00 61.79 60.79 1y4r h SER 84 Cb 0.66 -0.13 0.01 0.00 0.14 0.00 0.00 62.40 63.08 1y4r h SER 84 CO 0.05 0.84 -0.34 0.44 -1.14 0.00 0.00 176.83 176.68 1y4r h ASP 85 N 0.34 -0.79 -0.55 3.07 3.32 -0.95 -1.12 116.42 119.74 1y4r h ASP 85 Ca 0.02 0.03 0.10 0.00 0.02 0.00 0.00 57.03 57.20 1y4r h ASP 85 Cb 0.92 0.21 -0.11 0.00 0.22 0.00 0.00 39.33 40.57 1y4r h ASP 85 CO 0.08 -0.47 -0.36 0.25 -1.72 0.00 0.00 179.24 177.02 1y4r h LEU 86 N -1.13 -1.22 -0.32 1.55 5.85 -0.97 0.31 115.31 119.38 1y4r h LEU 86 Ca -0.10 0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 1y4r h LEU 86 Cb 0.72 0.59 -0.01 0.00 0.37 0.00 0.00 40.66 42.32 1y4r h LEU 86 CO 0.16 -0.32 0.15 0.45 -0.34 0.00 0.00 178.44 178.54 1y4r h HIS 87 N -0.20 0.47 -0.35 1.25 3.86 -1.50 0.17 115.15 118.85 1y4r h HIS 87 Ca 0.21 -0.03 -0.13 0.00 -1.16 0.00 0.00 60.37 59.26 1y4r h HIS 87 Cb 0.55 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.87 1y4r h HIS 87 CO -0.63 0.42 -0.31 0.00 0.86 0.00 0.00 177.93 178.27 1y4r h ALA 88 N 1.00 0.79 0.00 2.45 0.00 -0.09 0.49 119.26 123.90 1y4r h ALA 88 Ca 0.11 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1y4r h ALA 88 Cb 0.14 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1y4r h ALA 88 CO -0.01 0.65 -1.24 0.72 0.00 0.00 0.00 179.25 179.37 1y4r n HIS 89 N -4.08 0.00 0.00 0.00 8.25 0.98 -4.59 115.22 115.78 1y4r n HIS 89 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1y4r n HIS 89 Cb 0.48 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.40 1y4r n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1y4r n LYS 90 N -1.72 0.00 -0.03 -0.41 4.81 0.50 -4.87 118.16 116.45 1y4r n LYS 90 Ca -0.01 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.33 1y4r n LYS 90 Cb 0.28 -0.17 -0.04 0.00 0.02 0.00 0.00 35.03 35.11 1y4r n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1y4r h LEU 91 N 0.00 0.19 -1.60 3.14 3.38 -1.36 -3.47 115.31 115.60 1y4r h LEU 91 Ca 0.00 -0.04 -0.46 0.00 0.09 0.00 0.00 57.88 57.47 1y4r h LEU 91 Cb 0.00 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1y4r h LEU 91 CO 0.00 0.18 -0.83 0.54 0.09 0.00 0.00 178.44 178.42 1y4r n ARG 92 N -4.95 -4.45 -2.15 1.13 1.74 0.17 -4.92 116.66 103.23 1y4r n ARG 92 Ca -0.04 0.53 -0.40 0.00 -0.77 0.00 0.00 57.85 57.17 1y4r n ARG 92 Cb 0.05 -5.05 -0.02 0.00 -1.02 0.00 0.00 32.46 26.42 1y4r n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1y4r s VAL 93 N -3.65 2.81 0.23 1.55 1.01 -1.25 -4.95 120.40 116.15 1y4r s VAL 93 Ca 0.20 0.79 -0.30 0.00 0.00 0.00 0.00 61.98 62.67 1y4r s VAL 93 Cb -0.10 -3.50 -0.10 0.00 0.00 0.00 0.00 36.38 32.69 1y4r s VAL 93 CO 0.85 0.17 1.37 -0.62 0.00 0.00 0.00 175.10 176.88 1y4r s ASP 94 N -0.60 6.77 0.46 3.32 2.15 -1.26 -4.89 116.67 122.61 1y4r s ASP 94 Ca 0.50 2.55 0.26 0.00 0.43 0.00 0.00 52.55 56.30 1y4r s ASP 94 Cb -0.38 -2.62 1.30 0.00 -0.30 0.00 0.00 42.92 40.92 1y4r s ASP 94 CO 0.50 -0.61 1.78 -0.65 -0.17 0.00 0.00 175.17 176.02 1y4r h PRO 95 N 5.07 0.21 -0.74 4.34 0.11 -2.00 -1.33 132.00 137.67 1y4r h PRO 95 Ca -0.46 -0.01 0.11 0.00 0.11 0.00 0.00 66.00 65.75 1y4r h PRO 95 Cb 1.22 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.23 1y4r h PRO 95 CO 0.77 0.14 0.49 0.28 -0.21 0.00 0.00 178.00 179.46 1y4r h VAL 96 N 0.22 0.90 0.00 3.15 2.07 -2.04 -2.01 116.25 118.54 1y4r h VAL 96 Ca 0.60 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.89 1y4r h VAL 96 Cb 1.86 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 31.89 1y4r h VAL 96 CO -0.19 0.11 -0.09 0.78 0.02 0.00 0.00 177.57 178.19 1y4r h ASN 97 N 0.59 0.00 -0.18 0.57 4.21 -1.62 -2.64 115.58 116.52 1y4r h ASN 97 Ca 0.35 0.00 -0.06 0.00 1.21 0.00 0.00 56.30 57.79 1y4r h ASN 97 Cb 0.55 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.73 1y4r h ASN 97 CO -0.12 0.09 -0.07 -0.26 -1.29 0.00 0.00 177.43 175.78 1y4r h PHE 98 N 0.00 0.54 -0.23 1.19 0.04 -1.52 -2.56 116.94 114.40 1y4r h PHE 98 Ca -0.00 -0.07 -0.07 0.00 2.80 0.00 0.00 57.97 60.63 1y4r h PHE 98 Cb 0.23 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 1y4r h PHE 98 CO 0.00 0.58 -0.16 0.87 -0.60 0.00 0.00 178.31 179.01 1y4r h LYS 99 N 0.48 0.39 -0.11 1.51 1.57 -1.63 -1.63 116.57 117.16 1y4r h LYS 99 Ca 0.10 -0.11 -0.09 0.00 -1.87 0.00 0.00 60.65 58.68 1y4r h LYS 99 Cb 0.43 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1y4r h LYS 99 CO 0.02 0.55 -0.27 -0.07 -0.57 0.00 0.00 179.45 179.11 1y4r h LEU 100 N 0.36 0.43 -0.63 2.94 3.38 -1.56 -2.32 115.31 117.91 1y4r h LEU 100 Ca 0.07 -0.58 -0.06 0.00 0.09 0.00 0.00 57.88 57.39 1y4r h LEU 100 Cb 0.50 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1y4r h LEU 100 CO 0.03 0.93 0.14 0.25 0.09 0.00 0.00 178.44 179.88 1y4r h LEU 101 N -0.06 0.97 -0.03 1.67 6.46 -1.45 -2.36 115.31 120.50 1y4r h LEU 101 Ca -0.00 -0.24 0.02 0.00 -0.12 0.00 0.00 57.88 57.54 1y4r h LEU 101 Cb 0.87 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 40.53 1y4r h LEU 101 CO 0.06 0.96 -0.07 0.28 -0.62 0.00 0.00 178.44 179.05 1y4r h SER 102 N 0.93 -0.20 -0.37 1.25 0.02 -1.27 -1.87 113.55 112.05 1y4r h SER 102 Ca 0.20 0.04 0.07 0.00 -0.84 0.00 0.00 61.79 61.25 1y4r h SER 102 Cb 0.38 0.09 -0.06 0.00 0.14 0.00 0.00 62.40 62.95 1y4r h SER 102 CO 0.00 -0.10 -0.02 -0.74 -1.14 0.00 0.00 176.83 174.84 1y4r h HIS 103 N -0.10 -0.06 0.00 3.45 -0.00 -1.37 -1.19 115.15 115.88 1y4r h HIS 103 Ca 0.04 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.44 1y4r h HIS 103 Cb 0.16 0.08 -0.00 0.00 -0.00 0.00 0.00 27.41 27.65 1y4r h HIS 103 CO -0.15 -0.09 -0.00 0.00 -0.00 0.00 0.00 177.93 177.68 1y4r h LEU 105 N 0.00 0.77 0.52 0.00 5.85 -0.41 -2.06 115.31 119.98 1y4r h LEU 105 Ca -0.00 -0.83 -0.03 0.00 0.84 0.00 0.00 57.88 57.86 1y4r h LEU 105 Cb 0.34 -0.24 0.01 0.00 0.37 0.00 0.00 40.66 41.13 1y4r h LEU 105 CO 0.00 1.53 -0.25 -0.07 -0.34 0.00 0.00 178.44 179.31 1y4r h LEU 106 N 0.12 -0.59 -0.73 2.25 3.38 -0.79 -0.59 115.31 118.36 1y4r h LEU 106 Ca -0.17 -0.03 0.16 0.00 0.09 0.00 0.00 57.88 57.94 1y4r h LEU 106 Cb 1.79 0.15 -0.12 0.00 0.09 0.00 0.00 40.66 42.57 1y4r h LEU 106 CO 0.21 -0.35 0.02 0.58 0.09 0.00 0.00 178.44 179.00 1y4r h VAL 107 N -0.81 0.38 -0.75 1.22 2.07 -1.41 0.47 116.25 117.42 1y4r h VAL 107 Ca -0.07 -0.04 -0.05 0.00 0.82 0.00 0.00 66.70 67.36 1y4r h VAL 107 Cb 0.58 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 1y4r h VAL 107 CO 0.12 0.02 0.29 0.74 0.02 0.00 0.00 177.57 178.76 1y4r h THR 108 N 0.12 1.26 -0.25 2.57 2.02 -1.18 -2.29 112.91 115.15 1y4r h THR 108 Ca 0.40 -0.82 -0.14 0.00 0.77 0.00 0.00 66.41 66.62 1y4r h THR 108 Cb 0.69 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 67.48 1y4r h THR 108 CO -0.63 0.33 -0.38 -0.07 0.37 0.00 0.00 175.52 175.15 1y4r h LEU 109 N 1.09 0.77 -0.78 2.58 3.38 0.11 -2.85 115.31 119.61 1y4r h LEU 109 Ca 0.25 -0.52 0.07 0.00 0.09 0.00 0.00 57.88 57.78 1y4r h LEU 109 Cb 0.23 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.70 1y4r h LEU 109 CO -0.02 1.13 0.46 0.00 0.09 0.00 0.00 178.44 180.10 1y4r h ALA 110 N 0.65 1.08 0.00 1.53 0.00 -0.07 0.52 119.26 122.97 1y4r h ALA 110 Ca 0.02 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1y4r h ALA 110 Cb 0.97 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1y4r h ALA 110 CO 0.09 0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.48 1y4r h ALA 111 N 1.40 1.00 0.00 0.00 0.00 -1.43 -3.29 119.26 116.94 1y4r h ALA 111 Ca 0.36 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 1y4r h ALA 111 Cb 0.24 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1y4r h ALA 111 CO -0.20 0.00 -1.25 0.72 0.00 0.00 0.00 179.25 178.52 1y4r n HIS 112 N -2.63 0.00 -3.01 0.00 -0.00 -0.46 -4.81 115.22 104.30 1y4r n HIS 112 Ca 0.02 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.50 1y4r n HIS 112 Cb 0.30 -0.14 -0.04 0.00 -0.00 0.00 0.00 29.99 30.11 1y4r n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1y4r n LEU 113 N -1.81 3.29 -0.07 2.41 4.77 0.17 -4.97 117.00 120.79 1y4r n LEU 113 Ca -0.03 -5.45 -0.11 0.00 -0.03 0.00 0.00 56.01 50.39 1y4r n LEU 113 Cb 0.28 -0.14 -0.08 0.00 -2.33 0.00 0.00 43.42 41.15 1y4r n LEU 113 CO 0.10 2.33 0.50 1.55 -1.33 0.00 0.00 177.39 180.54 1y4r h PRO 114 N 2.98 -0.36 -0.89 3.23 0.13 -1.79 0.13 132.00 135.44 1y4r h PRO 114 Ca 0.12 0.02 0.16 0.00 -0.87 0.00 0.00 66.00 65.43 1y4r h PRO 114 Cb 0.66 0.08 -0.10 0.00 0.13 0.00 0.00 31.00 31.78 1y4r h PRO 114 CO 0.71 -0.24 0.48 0.00 -0.23 0.00 0.00 178.00 178.73 1y4r h ALA 115 N -0.41 1.38 0.00 -0.56 0.00 -1.93 -2.63 119.26 115.12 1y4r h ALA 115 Ca 0.04 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 1y4r h ALA 115 Cb 0.49 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1y4r h ALA 115 CO -0.42 -0.07 -0.49 0.93 0.00 0.00 0.00 179.25 179.20 1y4r h GLU 116 N 0.67 0.00 -2.51 0.00 3.07 -1.88 -3.39 114.58 110.55 1y4r h GLU 116 Ca 0.49 0.00 -0.49 0.00 -0.50 0.00 0.00 59.36 58.86 1y4r h GLU 116 Cb 0.71 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.57 1y4r h GLU 116 CO -0.37 0.49 1.86 0.34 -1.40 0.00 0.00 179.01 179.94 1y4r n PHE 117 N -3.22 1.51 -1.38 4.33 7.35 0.42 -4.74 117.46 121.72 1y4r n PHE 117 Ca 0.02 -2.39 -0.31 0.00 -0.76 0.00 0.00 57.45 54.01 1y4r n PHE 117 Cb 0.73 -2.00 0.09 0.00 0.35 0.00 0.00 39.48 38.66 1y4r n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1y4r s THR 118 N 0.95 3.30 0.30 -2.13 -4.23 -1.26 -4.74 115.64 107.83 1y4r s THR 118 Ca 0.66 0.42 0.03 0.00 -1.18 0.00 0.00 61.69 61.62 1y4r s THR 118 Cb 0.25 -3.02 0.29 0.00 1.34 0.00 0.00 72.50 71.36 1y4r s THR 118 CO -0.06 -0.55 1.86 -0.65 -0.54 0.00 0.00 174.62 174.68 1y4r h PRO 119 N -1.11 0.92 -0.21 3.99 0.11 -1.98 0.27 132.00 133.99 1y4r h PRO 119 Ca -0.46 -0.06 -0.16 0.00 0.11 0.00 0.00 66.00 65.44 1y4r h PRO 119 Cb 1.24 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1y4r h PRO 119 CO 0.55 0.61 -0.52 0.00 -0.21 0.00 0.00 178.00 178.43 1y4r h ALA 120 N 1.54 0.70 -0.22 -0.75 0.00 -1.96 -2.57 119.26 116.00 1y4r h ALA 120 Ca 0.46 -0.50 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 1y4r h ALA 120 Cb 0.46 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1y4r h ALA 120 CO -0.22 0.68 -0.57 0.28 0.00 0.00 0.00 179.25 179.42 1y4r h VAL 121 N 0.46 1.30 -0.03 0.00 2.07 -1.52 -2.79 116.25 115.75 1y4r h VAL 121 Ca 0.02 -1.79 0.02 0.00 0.82 0.00 0.00 66.70 65.76 1y4r h VAL 121 Cb 1.07 1.74 -0.02 0.00 -1.52 0.00 0.00 31.29 32.55 1y4r h VAL 121 CO 0.10 0.57 -0.08 -0.74 0.02 0.00 0.00 177.57 177.44 1y4r h HIS 122 N 0.52 -0.20 -0.42 1.57 6.17 -0.46 -1.02 115.15 121.31 1y4r h HIS 122 Ca 0.01 0.01 0.04 0.00 0.71 0.00 0.00 60.37 61.13 1y4r h HIS 122 Cb 1.14 0.09 -0.04 0.00 2.52 0.00 0.00 27.41 31.12 1y4r h HIS 122 CO 0.06 -0.12 0.19 0.00 0.71 0.00 0.00 177.93 178.76 1y4r h ALA 123 N 0.89 0.51 -0.25 5.26 0.00 -1.47 -2.09 119.26 122.12 1y4r h ALA 123 Ca 0.04 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1y4r h ALA 123 Cb 0.18 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1y4r h ALA 123 CO -0.11 -0.18 0.07 0.77 0.00 0.00 0.00 179.25 179.80 1y4r h SER 124 N 0.38 0.36 -0.75 0.00 0.02 -1.29 -2.06 113.55 110.21 1y4r h SER 124 Ca 0.18 -0.21 -0.03 0.00 -0.84 0.00 0.00 61.79 60.89 1y4r h SER 124 Cb 0.12 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.53 1y4r h SER 124 CO -0.15 0.48 0.36 -0.07 -1.14 0.00 0.00 176.83 176.31 1y4r h LEU 125 N 0.23 1.00 -0.15 5.07 3.38 -1.12 -0.91 115.31 122.81 1y4r h LEU 125 Ca 0.08 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1y4r h LEU 125 Cb 0.25 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1y4r h LEU 125 CO -0.00 0.85 0.08 -0.78 0.09 0.00 0.00 178.44 178.68 1y4r h ASP 126 N 1.09 0.18 -0.98 -0.43 3.58 -1.28 0.67 116.42 119.26 1y4r h ASP 126 Ca 0.26 -0.08 0.01 0.00 0.42 0.00 0.00 57.03 57.64 1y4r h ASP 126 Cb 0.12 -0.05 -0.05 0.00 1.72 0.00 0.00 39.33 41.08 1y4r h ASP 126 CO -0.03 0.22 0.65 0.11 -2.88 0.00 0.00 179.24 177.30 1y4r h LYS 127 N 0.14 1.27 -0.09 0.28 1.57 -1.10 -0.13 116.57 118.51 1y4r h LYS 127 Ca 0.05 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1y4r h LYS 127 Cb 0.07 -0.29 -0.00 0.00 0.08 0.00 0.00 32.23 32.09 1y4r h LYS 127 CO -0.01 0.84 0.04 0.35 -0.57 0.00 0.00 179.45 180.10 1y4r h PHE 128 N 1.31 0.14 -0.33 -1.35 3.57 -0.85 -0.07 116.94 119.35 1y4r h PHE 128 Ca 0.36 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.75 1y4r h PHE 128 Cb -0.13 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 1y4r h PHE 128 CO -0.00 0.24 -0.21 -0.07 -2.23 0.00 0.00 178.31 176.04 1y4r h LEU 129 N -0.01 0.64 -0.17 0.59 3.38 -0.64 -1.22 115.31 117.87 1y4r h LEU 129 Ca 0.03 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.82 1y4r h LEU 129 Cb 0.16 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1y4r h LEU 129 CO -0.00 0.85 -0.01 0.00 0.09 0.00 0.00 178.44 179.36 1y4r h ALA 130 N 1.21 0.14 -0.79 1.53 0.00 -0.57 0.18 119.26 120.95 1y4r h ALA 130 Ca 0.08 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1y4r h ALA 130 Cb 0.67 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1y4r h ALA 130 CO 0.05 -0.45 0.36 0.77 0.00 0.00 0.00 179.25 179.98 1y4r h SER 131 N 0.04 1.05 -0.93 0.00 0.02 -0.63 0.21 113.55 113.31 1y4r h SER 131 Ca 0.08 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 1y4r h SER 131 Cb 0.11 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.33 1y4r h SER 131 CO -0.15 0.90 0.55 0.58 -1.14 0.00 0.00 176.83 177.57 1y4r h VAL 132 N 1.12 1.26 -0.42 2.27 2.07 -0.82 0.85 116.25 122.59 1y4r h VAL 132 Ca 0.27 -0.59 -0.05 0.00 0.82 0.00 0.00 66.70 67.15 1y4r h VAL 132 Cb 0.14 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 29.85 1y4r h VAL 132 CO -0.03 0.28 0.07 0.28 0.02 0.00 0.00 177.57 178.18 1y4r h SER 133 N 1.29 0.67 -0.43 0.57 0.02 0.24 -0.95 113.55 114.95 1y4r h SER 133 Ca 0.33 -0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1y4r h SER 133 Cb -0.03 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 1y4r h SER 133 CO -0.06 0.76 0.24 0.74 -1.14 0.00 0.00 176.83 177.37 1y4r h THR 134 N 0.55 1.16 -0.08 -2.27 2.02 -0.56 -2.05 112.91 111.69 1y4r h THR 134 Ca 0.13 -0.42 -0.00 0.00 0.77 0.00 0.00 66.41 66.89 1y4r h THR 134 Cb 0.38 0.64 -0.00 0.00 -1.74 0.00 0.00 68.15 67.43 1y4r h THR 134 CO 0.01 0.17 0.04 0.58 0.37 0.00 0.00 175.52 176.68 1y4r h VAL 135 N 0.56 1.11 0.00 3.16 2.07 -0.62 -1.62 116.25 120.93 1y4r h VAL 135 Ca 0.15 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.34 1y4r h VAL 135 Cb 0.06 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1y4r h VAL 135 CO -0.02 0.10 0.00 -0.07 0.02 0.00 0.00 177.57 177.59 1y4r h LEU 136 N 0.00 0.00 -2.93 2.57 3.38 -1.03 -2.85 115.31 114.45 1y4r h LEU 136 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1y4r h LEU 136 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1y4r h LEU 136 CO -0.00 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.88 1y4r n THR 137 N -3.05 1.05 0.17 0.22 -2.24 -0.78 -4.50 114.28 105.14 1y4r n THR 137 Ca -0.01 -1.04 0.01 0.00 -2.27 0.00 0.00 64.05 60.74 1y4r n THR 137 Cb 0.20 0.47 0.31 0.00 -2.10 0.00 0.00 70.33 69.21 1y4r n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1y4r h SER 138 N 1.37 0.03 -0.61 3.42 4.64 -1.05 -3.11 113.55 118.23 1y4r h SER 138 Ca 0.00 -0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.23 1y4r h SER 138 Cb 0.68 -0.01 -0.05 0.00 -0.31 0.00 0.00 62.40 62.72 1y4r h SER 138 CO 0.01 0.44 0.10 0.29 -0.87 0.00 0.00 176.83 176.80 1y4r n LYS 139 N -4.04 4.35 -0.10 4.77 5.02 -1.26 -4.56 118.16 122.35 1y4r n LYS 139 Ca -0.02 -2.99 -0.04 0.00 -2.02 0.00 0.00 58.31 53.24 1y4r n LYS 139 Cb 0.45 -2.22 0.18 0.00 -0.02 0.00 0.00 35.03 33.42 1y4r n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1y4r h TYR 140 N 3.38 0.80 0.00 2.13 0.99 -1.86 -3.46 116.97 118.95 1y4r h TYR 140 Ca 0.09 -0.10 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1y4r h TYR 140 Cb 2.06 -0.22 0.00 0.00 1.00 0.00 0.00 36.73 39.56 1y4r h TYR 140 CO 1.13 0.74 0.00 2.89 -0.00 0.00 0.00 178.16 182.92