#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y4r n HIS 2 N 0.00 3.35 -3.99 2.03 -0.00 -1.26 -4.97 115.22 110.37 1y4r n HIS 2 Ca 0.00 -3.08 -0.36 0.00 -0.00 0.00 0.00 57.72 54.28 1y4r n HIS 2 Cb 0.00 -0.76 -0.07 0.00 -0.00 0.00 0.00 29.99 29.16 1y4r n HIS 2 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1y4r s LEU 3 N -3.87 4.15 0.26 0.27 1.43 -1.26 -5.08 118.68 114.59 1y4r s LEU 3 Ca 0.46 0.35 -0.28 0.00 -1.03 0.00 0.00 54.13 53.63 1y4r s LEU 3 Cb 0.30 -2.01 -0.09 0.00 0.03 0.00 0.00 46.19 44.43 1y4r s LEU 3 CO -0.20 0.37 0.93 -0.89 0.23 0.00 0.00 176.35 176.80 1y4r s THR 4 N -0.82 4.13 0.39 5.49 2.01 -1.26 -4.82 115.64 120.76 1y4r s THR 4 Ca 0.13 1.98 0.20 0.00 0.31 0.00 0.00 61.69 64.31 1y4r s THR 4 Cb -0.12 -4.22 0.39 0.00 0.01 0.00 0.00 72.50 68.57 1y4r s THR 4 CO 0.03 0.39 1.69 -0.65 -0.69 0.00 0.00 174.62 175.39 1y4r h PRO 5 N 3.85 0.29 -0.43 4.92 0.11 -1.98 1.44 132.00 140.19 1y4r h PRO 5 Ca -0.46 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.51 1y4r h PRO 5 Cb 1.20 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1y4r h PRO 5 CO 0.67 0.19 -0.22 0.93 -0.21 0.00 0.00 178.00 179.36 1y4r h GLU 6 N 0.30 0.86 -0.24 1.05 3.07 -1.99 -1.53 114.58 116.10 1y4r h GLU 6 Ca 0.71 -0.36 -0.18 0.00 -0.50 0.00 0.00 59.36 59.03 1y4r h GLU 6 Cb 1.84 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 29.71 1y4r h GLU 6 CO -0.44 1.00 -0.57 0.93 -1.40 0.00 0.00 179.01 178.53 1y4r h GLU 7 N 0.75 0.75 -0.39 2.33 5.08 0.12 -2.52 114.58 120.70 1y4r h GLU 7 Ca 0.10 -0.48 -0.01 0.00 -1.00 0.00 0.00 59.36 57.97 1y4r h GLU 7 Cb 0.75 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 1y4r h GLU 7 CO 0.06 1.11 0.20 0.87 -1.00 0.00 0.00 179.01 180.25 1y4r h LYS 8 N 0.57 0.54 -0.18 2.33 1.57 0.67 -2.51 116.57 119.56 1y4r h LYS 8 Ca 0.01 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.63 1y4r h LYS 8 Cb 1.15 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 1y4r h LYS 8 CO 0.12 0.45 -0.29 0.66 -0.57 0.00 0.00 179.45 179.82 1y4r h SER 9 N 0.49 0.35 -0.26 0.86 4.64 -1.25 -1.62 113.55 116.77 1y4r h SER 9 Ca 0.13 -0.12 -0.11 0.00 -0.47 0.00 0.00 61.79 61.23 1y4r h SER 9 Cb 0.07 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1y4r h SER 9 CO -0.02 0.63 -0.25 0.00 -0.87 0.00 0.00 176.83 176.32 1y4r h ALA 10 N 1.39 0.38 0.78 5.18 0.00 -1.31 -0.97 119.26 124.71 1y4r h ALA 10 Ca 0.04 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 1y4r h ALA 10 Cb 0.67 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1y4r h ALA 10 CO 0.05 0.36 -0.43 0.28 0.00 0.00 0.00 179.25 179.51 1y4r h VAL 11 N 0.34 0.00 -0.69 0.00 2.07 -1.33 -2.57 116.25 114.07 1y4r h VAL 11 Ca 0.04 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.71 1y4r h VAL 11 Cb 0.81 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.46 1y4r h VAL 11 CO 0.06 0.00 -0.06 0.74 0.02 0.00 0.00 177.57 178.34 1y4r h THR 12 N -1.11 0.38 0.00 2.57 2.02 -1.35 -1.76 112.91 113.66 1y4r h THR 12 Ca -0.11 -0.02 -0.10 0.00 0.77 0.00 0.00 66.41 66.95 1y4r h THR 12 Cb 0.87 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 1y4r h THR 12 CO 0.14 0.01 -0.46 0.00 0.37 0.00 0.00 175.52 175.58 1y4r h ALA 13 N 1.65 1.18 0.22 6.16 0.00 -1.12 -2.94 119.26 124.41 1y4r h ALA 13 Ca 0.36 -0.42 -0.34 0.00 0.00 0.00 0.00 54.91 54.51 1y4r h ALA 13 Cb 0.59 -0.07 0.03 0.00 0.00 0.00 0.00 17.79 18.33 1y4r h ALA 13 CO -0.64 0.58 -1.55 1.25 0.00 0.00 0.00 179.25 178.89 1y4r h LEU 14 N 0.00 0.73 -1.53 0.00 7.12 -0.93 -3.29 115.31 117.41 1y4r h LEU 14 Ca -0.00 -0.87 0.10 0.00 0.13 0.00 0.00 57.88 57.24 1y4r h LEU 14 Cb 0.85 -0.24 -0.04 0.00 -0.53 0.00 0.00 40.66 40.69 1y4r h LEU 14 CO 0.06 1.70 0.46 -0.25 -0.13 0.00 0.00 178.44 180.27 1y4r h TRP 15 N 0.13 0.56 -0.54 1.25 2.91 -1.35 -0.22 115.95 118.68 1y4r h TRP 15 Ca -0.28 0.02 0.13 0.00 1.13 0.00 0.00 58.89 59.89 1y4r h TRP 15 Cb 2.13 -0.18 -0.03 0.00 -0.51 0.00 0.00 29.16 30.57 1y4r h TRP 15 CO 0.11 0.26 0.38 0.78 -1.03 0.00 0.00 178.44 178.94 1y4r h GLY 16 N 0.52 0.27 -0.21 2.65 0.00 -1.58 0.21 103.07 104.93 1y4r h GLY 16 Ca 0.32 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1y4r h GLY 16 CO -0.10 0.04 0.00 0.28 0.00 0.00 0.00 176.54 176.75 1y4r n LYS 17 N -4.43 1.55 -3.32 4.80 5.02 -0.10 -4.93 118.16 116.74 1y4r n LYS 17 Ca 0.09 -0.79 -0.38 0.00 -2.02 0.00 0.00 58.31 55.21 1y4r n LYS 17 Cb 0.49 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.96 1y4r n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1y4r s VAL 18 N -2.00 4.97 -0.54 -0.18 1.01 0.06 -5.03 120.40 118.70 1y4r s VAL 18 Ca 0.40 1.07 -0.19 0.00 0.00 0.00 0.00 61.98 63.26 1y4r s VAL 18 Cb 0.21 -3.84 0.08 0.00 0.00 0.00 0.00 36.38 32.82 1y4r s VAL 18 CO 0.34 0.46 0.66 0.21 0.00 0.00 0.00 175.10 176.77 1y4r s ASN 19 N -0.40 6.21 0.44 3.32 3.84 -1.26 -4.92 114.94 122.16 1y4r s ASN 19 Ca 0.28 -1.12 0.13 0.00 0.21 0.00 0.00 52.86 52.35 1y4r s ASN 19 Cb -0.17 -2.29 0.96 0.00 -0.55 0.00 0.00 41.25 39.19 1y4r s ASN 19 CO 0.15 -0.98 1.98 0.58 -2.79 0.00 0.00 177.10 176.04 1y4r h VAL 20 N 5.89 1.13 0.29 -5.21 2.07 -1.95 -1.70 116.25 116.77 1y4r h VAL 20 Ca -0.28 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 1y4r h VAL 20 Cb 1.09 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 1y4r h VAL 20 CO 1.02 0.18 -0.14 0.44 0.02 0.00 0.00 177.57 179.09 1y4r h ASP 21 N 0.07 -0.33 -0.02 0.57 5.19 -1.92 0.10 116.42 120.08 1y4r h ASP 21 Ca 0.01 -0.04 -0.03 0.00 -0.62 0.00 0.00 57.03 56.36 1y4r h ASP 21 Cb 0.30 0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.90 1y4r h ASP 21 CO 0.02 -0.17 -0.09 -0.33 -3.12 0.00 0.00 179.24 175.55 1y4r h GLU 22 N -0.47 0.10 -0.48 3.56 5.08 -1.95 -2.95 114.58 117.47 1y4r h GLU 22 Ca -0.04 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.19 1y4r h GLU 22 Cb 0.35 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1y4r h GLU 22 CO 0.07 0.72 0.09 0.28 -1.00 0.00 0.00 179.01 179.16 1y4r h VAL 23 N -0.51 1.22 -0.24 3.13 2.07 -1.34 -1.57 116.25 119.00 1y4r h VAL 23 Ca -0.00 -0.82 -0.04 0.00 0.82 0.00 0.00 66.70 66.66 1y4r h VAL 23 Cb 0.73 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1y4r h VAL 23 CO 0.02 0.30 0.01 1.23 0.02 0.00 0.00 177.57 179.14 1y4r h GLY 24 N 0.93 0.46 0.95 2.17 0.00 -0.89 -1.19 103.07 105.49 1y4r h GLY 24 Ca 0.16 -0.33 -0.06 0.00 0.00 0.00 0.00 47.33 47.10 1y4r h GLY 24 CO 0.00 0.31 0.04 -1.33 0.00 0.00 0.00 176.54 175.56 1y4r h GLY 25 N 0.20 0.75 0.94 4.60 0.00 -1.32 -2.55 103.07 105.70 1y4r h GLY 25 Ca 0.07 -0.53 -0.07 0.00 0.00 0.00 0.00 47.33 46.80 1y4r h GLY 25 CO 0.01 0.49 -0.04 -2.09 0.00 0.00 0.00 176.54 174.91 1y4r h GLU 26 N 0.54 0.70 -0.18 4.80 4.81 -1.28 -1.40 114.58 122.56 1y4r h GLU 26 Ca 0.12 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 1y4r h GLU 26 Cb 0.42 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 1y4r h GLU 26 CO 0.01 0.82 0.08 0.00 -0.73 0.00 0.00 179.01 179.19 1y4r h ALA 27 N 0.86 0.24 -0.33 2.92 0.00 -1.23 0.10 119.26 121.82 1y4r h ALA 27 Ca 0.10 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1y4r h ALA 27 Cb 0.53 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1y4r h ALA 27 CO 0.03 -0.18 -0.34 1.25 0.00 0.00 0.00 179.25 180.00 1y4r h LEU 28 N 0.16 0.76 -0.29 0.00 5.85 -1.49 -2.26 115.31 118.04 1y4r h LEU 28 Ca 0.06 -0.32 -0.09 0.00 0.84 0.00 0.00 57.88 58.37 1y4r h LEU 28 Cb 0.15 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1y4r h LEU 28 CO -0.01 1.04 -0.18 1.23 -0.34 0.00 0.00 178.44 180.18 1y4r h GLY 29 N 0.96 0.70 1.12 3.75 0.00 -1.15 -2.62 103.07 105.83 1y4r h GLY 29 Ca 0.06 -0.65 -0.01 0.00 0.00 0.00 0.00 47.33 46.73 1y4r h GLY 29 CO 0.08 0.59 0.49 3.21 0.00 0.00 0.00 176.54 180.91 1y4r h ARG 30 N 0.39 1.16 -0.10 4.80 3.08 -0.69 -2.04 114.38 120.98 1y4r h ARG 30 Ca 0.06 -0.11 0.04 0.00 0.07 0.00 0.00 59.98 60.04 1y4r h ARG 30 Cb 0.72 -0.24 -0.05 0.00 0.08 0.00 0.00 29.97 30.48 1y4r h ARG 30 CO 0.05 0.83 -0.22 1.25 -1.07 0.00 0.00 179.97 180.80 1y4r h LEU 31 N 1.17 -0.69 -2.17 3.04 5.85 -1.28 0.23 115.31 121.47 1y4r h LEU 31 Ca 0.30 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 59.12 1y4r h LEU 31 Cb -0.02 0.30 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 1y4r h LEU 31 CO -0.05 -0.28 -0.07 -0.07 -0.34 0.00 0.00 178.44 177.63 1y4r h LEU 32 N -0.30 0.00 0.03 2.25 3.38 -1.01 -1.73 115.31 117.94 1y4r h LEU 32 Ca 0.09 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.80 1y4r h LEU 32 Cb 0.43 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 1y4r h LEU 32 CO -0.28 0.07 -1.41 0.58 0.09 0.00 0.00 178.44 177.49 1y4r h VAL 33 N 0.00 0.87 -0.08 1.22 2.07 -0.74 -3.29 116.25 116.30 1y4r h VAL 33 Ca -0.00 -2.23 -0.02 0.00 0.82 0.00 0.00 66.70 65.27 1y4r h VAL 33 Cb 0.21 2.33 -0.00 0.00 -1.52 0.00 0.00 31.29 32.31 1y4r h VAL 33 CO 0.01 0.47 -0.04 0.58 0.02 0.00 0.00 177.57 178.61 1y4r h VAL 34 N -0.72 1.32 -2.88 2.57 2.07 -0.51 -3.34 116.25 114.76 1y4r h VAL 34 Ca -0.36 -1.05 -0.66 0.00 0.82 0.00 0.00 66.70 65.45 1y4r h VAL 34 Cb 1.49 1.85 -0.38 0.00 -1.52 0.00 0.00 31.29 32.72 1y4r h VAL 34 CO -0.13 0.29 -0.27 -1.22 0.02 0.00 0.00 177.57 176.26 1y4r n TYR 35 N -4.76 3.60 -0.52 1.57 4.01 -0.66 -4.97 117.16 115.44 1y4r n TYR 35 Ca -0.07 -4.03 0.44 0.00 -0.16 0.00 0.00 57.90 54.08 1y4r n TYR 35 Cb 0.26 -0.84 0.77 0.00 -0.31 0.00 0.00 39.34 39.21 1y4r n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1y4r h PRO 36 N 5.23 0.02 0.00 -0.72 0.13 -1.70 -1.38 132.00 133.59 1y4r h PRO 36 Ca 0.17 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1y4r h PRO 36 Cb 0.73 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.85 1y4r h PRO 36 CO 0.87 0.01 0.00 0.11 -0.23 0.00 0.00 178.00 178.76 1y4r h TRP 37 N 0.02 0.00 0.00 1.56 0.09 -1.91 -2.14 115.95 113.57 1y4r h TRP 37 Ca 0.77 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.75 1y4r h TRP 37 Cb 2.99 0.00 0.00 0.00 0.08 0.00 0.00 29.16 32.23 1y4r h TRP 37 CO -0.00 0.00 0.00 0.25 0.09 0.00 0.00 178.44 178.78 1y4r n THR 38 N -2.72 0.75 0.49 0.12 -2.24 -0.52 -2.84 114.28 107.32 1y4r n THR 38 Ca -0.00 0.18 0.08 0.00 -2.27 0.00 0.00 64.05 62.04 1y4r n THR 38 Cb 0.17 -0.89 0.36 0.00 -2.10 0.00 0.00 70.33 67.87 1y4r n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1y4r n GLN 39 N -1.60 0.05 0.32 -0.78 6.02 -0.81 -2.72 117.38 117.87 1y4r n GLN 39 Ca 0.04 0.28 0.20 0.00 -0.01 0.00 0.00 57.00 57.51 1y4r n GLN 39 Cb 0.22 -1.59 1.04 0.00 1.02 0.00 0.00 30.24 30.93 1y4r n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1y4r h ARG 40 N 0.00 0.00 0.00 -1.09 0.11 -1.76 -0.61 114.38 111.04 1y4r h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1y4r h ARG 40 Cb 0.29 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.37 1y4r h ARG 40 CO 0.00 0.00 -0.84 1.19 0.10 0.00 0.00 179.97 180.42 1y4r n PHE 41 N -3.12 0.02 -2.81 4.08 3.01 -1.10 -4.56 117.46 112.98 1y4r n PHE 41 Ca -0.02 0.01 -0.24 0.00 1.01 0.00 0.00 57.45 58.21 1y4r n PHE 41 Cb 0.20 -0.13 -0.02 0.00 -0.01 0.00 0.00 39.48 39.52 1y4r n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1y4r n PHE 42 N -1.55 3.02 0.09 1.38 3.01 -0.23 -4.82 117.46 118.36 1y4r n PHE 42 Ca 0.04 -3.58 -0.17 0.00 1.01 0.00 0.00 57.45 54.75 1y4r n PHE 42 Cb 0.34 -0.34 -0.11 0.00 -0.01 0.00 0.00 39.48 39.37 1y4r n PHE 42 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1y4r h GLU 43 N 2.86 0.39 0.00 -1.08 4.39 -1.80 -3.20 114.58 116.13 1y4r h GLU 43 Ca 0.16 -0.54 0.00 0.00 0.34 0.00 0.00 59.36 59.31 1y4r h GLU 43 Cb 0.76 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.60 1y4r h GLU 43 CO 0.75 1.22 0.00 -1.13 -1.16 0.00 0.00 179.01 178.69 1y4r n SER 44 N -3.66 0.00 0.09 1.42 3.41 -1.26 -2.77 113.62 110.85 1y4r n SER 44 Ca -0.09 0.09 -0.07 0.00 -0.26 0.00 0.00 58.87 58.54 1y4r n SER 44 Cb 0.96 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.61 1y4r n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1y4r h ALA 45 N 2.77 0.57 0.00 7.33 0.00 -1.94 -3.50 119.26 124.50 1y4r h ALA 45 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.17 1y4r h ALA 45 Cb 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1y4r h ALA 45 CO 0.00 0.97 0.00 0.41 0.00 0.00 0.00 179.25 180.63 1y4r n GLY 46 N 0.87 0.13 3.57 0.00 0.00 -1.11 -4.81 105.19 103.84 1y4r n GLY 46 Ca -0.02 -1.60 -0.42 0.00 0.00 0.00 0.00 46.02 43.98 1y4r n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1y4r s ASP 47 N -4.00 6.50 -0.13 1.61 3.68 -1.26 -4.88 116.67 118.19 1y4r s ASP 47 Ca 0.00 0.22 0.16 0.00 2.13 0.00 0.00 52.55 55.06 1y4r s ASP 47 Cb 0.00 -2.39 0.39 0.00 -1.45 0.00 0.00 42.92 39.48 1y4r s ASP 47 CO 0.00 -0.77 1.19 0.18 0.13 0.00 0.00 175.17 175.90 1y4r n LEU 48 N 6.47 2.02 0.28 -1.34 4.77 -1.26 -4.31 117.00 123.62 1y4r n LEU 48 Ca 0.02 -3.11 0.17 0.00 -0.03 0.00 0.00 56.01 53.07 1y4r n LEU 48 Cb 0.48 -0.33 0.74 0.00 -2.33 0.00 0.00 43.42 41.98 1y4r n LEU 48 CO 0.55 1.01 1.00 0.28 -1.33 0.00 0.00 177.39 178.90 1y4r h SER 49 N 0.88 0.00 -5.15 -1.43 0.02 -1.89 -3.46 113.55 102.51 1y4r h SER 49 Ca -0.07 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.77 1y4r h SER 49 Cb 1.30 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.69 1y4r h SER 49 CO 0.03 0.02 -0.46 0.42 -1.14 0.00 0.00 176.83 175.70 1y4r s THR 50 N -3.74 0.15 0.18 -2.27 -4.23 -1.26 -5.02 115.64 99.45 1y4r s THR 50 Ca 0.00 -1.27 -0.24 0.00 -1.18 0.00 0.00 61.69 59.00 1y4r s THR 50 Cb 0.10 -1.26 0.06 0.00 1.34 0.00 0.00 72.50 72.74 1y4r s THR 50 CO 0.54 -0.70 1.57 -0.65 -0.54 0.00 0.00 174.62 174.83 1y4r h PRO 51 N 3.06 -0.19 -0.44 3.99 0.11 -1.98 0.14 132.00 136.70 1y4r h PRO 51 Ca -0.34 0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.87 1y4r h PRO 51 Cb 1.18 0.04 -0.08 0.00 0.11 0.00 0.00 31.00 32.26 1y4r h PRO 51 CO 0.56 -0.13 -0.04 -0.44 -0.21 0.00 0.00 178.00 177.75 1y4r h ASP 52 N -0.19 -0.28 0.34 -2.05 3.32 -1.97 0.57 116.42 116.15 1y4r h ASP 52 Ca 0.20 0.12 -0.03 0.00 0.02 0.00 0.00 57.03 57.34 1y4r h ASP 52 Cb 0.56 0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.33 1y4r h ASP 52 CO -0.71 -0.09 -0.14 0.00 -1.72 0.00 0.00 179.24 176.57 1y4r h ALA 53 N 1.41 1.35 0.00 3.45 0.00 -1.48 0.46 119.26 124.46 1y4r h ALA 53 Ca 0.22 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1y4r h ALA 53 Cb 0.33 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1y4r h ALA 53 CO -0.40 0.17 -0.67 0.28 0.00 0.00 0.00 179.25 178.63 1y4r h VAL 54 N 0.00 0.91 -0.09 0.00 2.07 0.17 -2.85 116.25 116.45 1y4r h VAL 54 Ca -0.00 -1.91 0.03 0.00 0.82 0.00 0.00 66.70 65.63 1y4r h VAL 54 Cb 0.34 1.95 -0.00 0.00 -1.52 0.00 0.00 31.29 32.06 1y4r h VAL 54 CO 0.02 0.31 0.07 0.24 0.02 0.00 0.00 177.57 178.23 1y4r h MET 55 N -1.00 0.00 0.00 1.57 2.07 0.04 -2.39 114.93 115.22 1y4r h MET 55 Ca -0.16 0.00 -0.15 0.00 -2.07 0.00 0.00 59.70 57.31 1y4r h MET 55 Cb 0.96 0.00 -0.03 0.00 -1.87 0.00 0.00 31.60 30.66 1y4r h MET 55 CO -0.10 0.00 -1.28 0.78 1.07 0.00 0.00 176.91 177.38 1y4r h GLY 56 N 0.00 0.00 -5.96 8.32 0.00 -1.04 -3.47 103.07 100.91 1y4r h GLY 56 Ca 0.04 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.82 1y4r h GLY 56 CO -0.00 0.00 1.33 0.21 0.00 0.00 0.00 176.54 178.08 1y4r s ASN 57 N -5.84 6.07 0.41 0.19 3.84 -0.90 -4.85 114.94 113.85 1y4r s ASN 57 Ca -0.02 2.38 0.09 0.00 0.21 0.00 0.00 52.86 55.52 1y4r s ASN 57 Cb 0.09 -2.52 0.86 0.00 -0.55 0.00 0.00 41.25 39.12 1y4r s ASN 57 CO 0.80 -1.40 2.00 1.55 -2.79 0.00 0.00 177.10 177.27 1y4r h PRO 58 N 12.30 0.38 -0.33 0.43 0.13 -1.90 -2.16 132.00 140.85 1y4r h PRO 58 Ca -0.46 -0.05 -0.09 0.00 -0.87 0.00 0.00 66.00 64.53 1y4r h PRO 58 Cb 1.24 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 1y4r h PRO 58 CO 0.95 0.34 -0.15 -0.22 -0.23 0.00 0.00 178.00 178.69 1y4r h LYS 59 N 0.38 0.59 -0.13 0.86 3.64 -1.88 -1.19 116.57 118.83 1y4r h LYS 59 Ca 0.09 -0.19 -0.13 0.00 -1.27 0.00 0.00 60.65 59.16 1y4r h LYS 59 Cb 0.13 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1y4r h LYS 59 CO -0.01 0.72 -0.41 0.28 -2.27 0.00 0.00 179.45 177.77 1y4r h VAL 60 N 0.54 1.36 -0.72 2.00 2.07 -1.77 -2.32 116.25 117.40 1y4r h VAL 60 Ca 0.09 -1.70 -0.02 0.00 0.82 0.00 0.00 66.70 65.89 1y4r h VAL 60 Cb 0.57 2.08 -0.03 0.00 -1.52 0.00 0.00 31.29 32.39 1y4r h VAL 60 CO 0.04 0.51 0.35 0.11 0.02 0.00 0.00 177.57 178.60 1y4r h LYS 61 N 0.12 1.02 0.00 1.57 1.57 -1.28 0.10 116.57 119.68 1y4r h LYS 61 Ca -0.01 -0.13 -0.19 0.00 -1.87 0.00 0.00 60.65 58.45 1y4r h LYS 61 Cb 1.03 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.12 1y4r h LYS 61 CO 0.09 0.78 -0.88 0.00 -0.57 0.00 0.00 179.45 178.86 1y4r h ALA 62 N 1.37 0.54 -0.05 3.86 0.00 -1.23 -2.44 119.26 121.32 1y4r h ALA 62 Ca 0.25 -0.79 -0.20 0.00 0.00 0.00 0.00 54.91 54.17 1y4r h ALA 62 Cb 0.09 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1y4r h ALA 62 CO -0.03 1.07 -0.80 1.25 0.00 0.00 0.00 179.25 180.74 1y4r h HIS 63 N 0.01 0.58 -0.75 0.00 -0.00 -1.07 -2.84 115.15 111.08 1y4r h HIS 63 Ca -0.02 -0.28 -0.01 0.00 -0.00 0.00 0.00 60.37 60.07 1y4r h HIS 63 Cb 1.55 -0.08 -0.04 0.00 -0.00 0.00 0.00 27.41 28.85 1y4r h HIS 63 CO 0.00 1.06 0.43 0.78 -0.00 0.00 0.00 177.93 180.20 1y4r h GLY 64 N 1.26 1.10 1.80 5.26 0.00 -0.87 -0.30 103.07 111.32 1y4r h GLY 64 Ca -0.05 -0.47 -0.16 0.00 0.00 0.00 0.00 47.33 46.65 1y4r h GLY 64 CO 0.14 0.46 -0.69 1.70 0.00 0.00 0.00 176.54 178.14 1y4r h LYS 65 N 1.04 0.20 -0.34 4.80 3.64 -1.37 -1.97 116.57 122.57 1y4r h LYS 65 Ca 0.27 -0.16 -0.17 0.00 -1.27 0.00 0.00 60.65 59.31 1y4r h LYS 65 Cb -0.00 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1y4r h LYS 65 CO -0.05 0.81 -0.47 -0.22 -2.27 0.00 0.00 179.45 177.26 1y4r h LYS 66 N 0.14 0.91 0.09 1.90 3.64 -1.14 -1.79 116.57 120.31 1y4r h LYS 66 Ca -0.02 -0.53 -0.00 0.00 -1.27 0.00 0.00 60.65 58.83 1y4r h LYS 66 Cb 1.23 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 1y4r h LYS 66 CO 0.10 1.17 -0.04 0.28 -2.27 0.00 0.00 179.45 178.70 1y4r h VAL 67 N 0.72 1.17 0.00 2.00 2.07 -1.06 -2.80 116.25 118.35 1y4r h VAL 67 Ca 0.04 -1.06 -0.02 0.00 0.82 0.00 0.00 66.70 66.48 1y4r h VAL 67 Cb 1.07 1.83 -0.00 0.00 -1.52 0.00 0.00 31.29 32.67 1y4r h VAL 67 CO 0.11 0.25 -0.08 -0.07 0.02 0.00 0.00 177.57 177.81 1y4r h LEU 68 N -0.61 0.00 0.84 2.57 -0.00 -1.43 -1.35 115.31 115.32 1y4r h LEU 68 Ca -0.01 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.83 1y4r h LEU 68 Cb 0.50 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.17 1y4r h LEU 68 CO 0.02 0.08 -0.40 1.23 -0.00 0.00 0.00 178.44 179.36 1y4r h GLY 69 N 1.41 -1.18 0.27 0.83 0.00 -1.25 0.43 103.07 103.59 1y4r h GLY 69 Ca -0.00 0.44 0.14 0.00 0.00 0.00 0.00 47.33 47.91 1y4r h GLY 69 CO 0.01 -0.43 0.50 0.00 0.00 0.00 0.00 176.54 176.62 1y4r h ALA 70 N -1.41 1.37 0.13 3.60 0.00 -1.31 -0.12 119.26 121.52 1y4r h ALA 70 Ca -0.12 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1y4r h ALA 70 Cb 0.86 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1y4r h ALA 70 CO 0.19 -0.02 -0.06 0.35 0.00 0.00 0.00 179.25 179.70 1y4r h PHE 71 N 0.71 -0.16 -0.78 0.00 3.57 -1.05 -2.38 116.94 116.85 1y4r h PHE 71 Ca 0.48 -0.00 0.15 0.00 3.53 0.00 0.00 57.97 62.13 1y4r h PHE 71 Cb 0.64 0.05 -0.10 0.00 2.79 0.00 0.00 35.95 39.34 1y4r h PHE 71 CO -0.06 0.01 0.31 1.03 -2.23 0.00 0.00 178.31 177.36 1y4r h SER 72 N -0.31 0.28 0.71 0.41 0.87 0.16 0.16 113.55 115.83 1y4r h SER 72 Ca -0.02 0.12 -0.07 0.00 -1.23 0.00 0.00 61.79 60.59 1y4r h SER 72 Cb 0.25 0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 1y4r h SER 72 CO 0.03 0.09 -0.32 0.44 -0.53 0.00 0.00 176.83 176.54 1y4r h ASP 73 N 0.44 0.00 0.70 6.23 3.32 -1.05 -2.71 116.42 123.34 1y4r h ASP 73 Ca 0.43 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.45 1y4r h ASP 73 Cb 0.69 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.23 1y4r h ASP 73 CO -0.43 0.32 -0.17 1.23 -1.72 0.00 0.00 179.24 178.47 1y4r h GLY 74 N 1.73 0.00 1.36 2.75 0.00 -0.15 -2.65 103.07 106.12 1y4r h GLY 74 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1y4r h GLY 74 CO 0.04 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.62 1y4r n LEU 75 N -3.46 0.00 -0.56 3.11 4.77 -1.02 -1.76 117.00 118.08 1y4r n LEU 75 Ca -0.01 0.18 0.09 0.00 -0.03 0.00 0.00 56.01 56.25 1y4r n LEU 75 Cb 0.34 -0.18 0.03 0.00 -2.33 0.00 0.00 43.42 41.28 1y4r n LEU 75 CO 0.31 -0.04 0.39 0.00 -1.33 0.00 0.00 177.39 176.72 1y4r n ALA 76 N -1.18 3.01 -2.70 -1.18 0.00 -1.00 -4.31 120.51 113.16 1y4r n ALA 76 Ca 0.14 -0.61 -0.06 0.00 0.00 0.00 0.00 53.44 52.91 1y4r n ALA 76 Cb 0.15 -0.66 0.04 0.00 0.00 0.00 0.00 19.45 18.98 1y4r n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1y4r n HIS 77 N 0.37 1.49 0.15 0.00 8.25 -0.72 -4.89 115.22 119.87 1y4r n HIS 77 Ca 0.09 -2.31 0.10 0.00 -0.26 0.00 0.00 57.72 55.34 1y4r n HIS 77 Cb 0.43 -0.27 0.54 0.00 1.12 0.00 0.00 29.99 31.82 1y4r n HIS 77 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1y4r n LEU 78 N -0.50 0.52 -1.02 2.41 7.94 -1.16 -1.06 117.00 124.12 1y4r n LEU 78 Ca 0.13 0.74 0.10 0.00 -1.11 0.00 0.00 56.01 55.86 1y4r n LEU 78 Cb 0.82 -0.80 0.21 0.00 0.53 0.00 0.00 43.42 44.18 1y4r n LEU 78 CO 0.16 -0.92 0.68 0.47 -1.11 0.00 0.00 177.39 176.67 1y4r n ASP 79 N -2.20 3.32 -2.70 1.96 10.43 -1.26 -0.87 116.55 125.22 1y4r n ASP 79 Ca -0.01 -1.94 -0.06 0.00 2.57 0.00 0.00 54.79 55.34 1y4r n ASP 79 Cb 0.04 -0.28 0.08 0.00 1.84 0.00 0.00 41.12 42.80 1y4r n ASP 79 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 1y4r n ASN 80 N 1.23 -2.00 0.10 -2.24 5.15 -0.22 -4.57 115.26 112.70 1y4r n ASN 80 Ca 0.18 -2.67 -0.04 0.00 -0.60 0.00 0.00 54.58 51.44 1y4r n ASN 80 Cb 0.54 1.40 0.13 0.00 -0.53 0.00 0.00 39.78 41.32 1y4r n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1y4r h LEU 81 N 3.19 0.21 0.14 1.20 3.38 -1.72 -2.65 115.31 119.06 1y4r h LEU 81 Ca -0.20 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 57.67 1y4r h LEU 81 Cb 1.13 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.78 1y4r h LEU 81 CO 0.07 0.77 -0.35 0.50 0.09 0.00 0.00 178.44 179.53 1y4r h LYS 82 N 0.13 -0.57 -0.06 1.13 1.63 -1.89 0.58 116.57 117.53 1y4r h LYS 82 Ca -0.01 0.04 -0.07 0.00 -0.85 0.00 0.00 60.65 59.76 1y4r h LYS 82 Cb 1.12 0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 32.87 1y4r h LYS 82 CO 0.09 -0.38 -0.29 0.78 -3.45 0.00 0.00 179.45 176.20 1y4r h GLY 83 N -0.59 0.12 1.48 5.01 0.00 -1.95 -1.95 103.07 105.18 1y4r h GLY 83 Ca 0.02 -0.09 -0.18 0.00 0.00 0.00 0.00 47.33 47.09 1y4r h GLY 83 CO -0.19 0.08 -0.65 -0.84 0.00 0.00 0.00 176.54 174.94 1y4r h THR 84 N 0.10 1.34 -0.59 4.70 2.02 -1.01 -3.29 112.91 116.18 1y4r h THR 84 Ca 0.01 -1.95 0.00 0.00 0.77 0.00 0.00 66.41 65.24 1y4r h THR 84 Cb 0.57 1.93 0.00 0.00 -1.74 0.00 0.00 68.15 68.91 1y4r h THR 84 CO 0.04 0.60 0.00 0.49 0.37 0.00 0.00 175.52 177.02 1y4r n PHE 85 N -3.91 1.09 0.01 3.16 3.01 0.14 -4.69 117.46 116.27 1y4r n PHE 85 Ca -0.04 -0.57 -0.10 0.00 1.01 0.00 0.00 57.45 57.75 1y4r n PHE 85 Cb 0.66 -0.13 -0.04 0.00 -0.01 0.00 0.00 39.48 39.97 1y4r n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1y4r h ALA 86 N 3.61 -0.06 -0.11 4.37 0.00 -1.42 0.46 119.26 126.10 1y4r h ALA 86 Ca 0.00 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 1y4r h ALA 86 Cb 1.16 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 1y4r h ALA 86 CO 0.11 -0.59 -0.56 1.15 0.00 0.00 0.00 179.25 179.36 1y4r h THR 87 N -0.17 1.36 -0.19 0.00 2.02 -1.86 -2.15 112.91 111.92 1y4r h THR 87 Ca 0.08 -1.87 -0.13 0.00 0.77 0.00 0.00 66.41 65.25 1y4r h THR 87 Cb 0.28 1.89 -0.01 0.00 -1.74 0.00 0.00 68.15 68.57 1y4r h THR 87 CO -0.19 0.56 -0.45 0.25 0.37 0.00 0.00 175.52 176.05 1y4r h LEU 88 N 0.25 0.50 -0.39 2.58 5.85 -1.81 -1.59 115.31 120.71 1y4r h LEU 88 Ca 0.00 -0.24 -0.06 0.00 0.84 0.00 0.00 57.88 58.42 1y4r h LEU 88 Cb 1.07 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 1y4r h LEU 88 CO 0.09 0.89 0.01 -1.28 -0.34 0.00 0.00 178.44 177.81 1y4r h SER 89 N 0.38 0.67 -0.26 1.25 0.87 0.20 -1.94 113.55 114.73 1y4r h SER 89 Ca 0.03 -0.30 -0.02 0.00 -1.23 0.00 0.00 61.79 60.27 1y4r h SER 89 Cb 0.95 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.71 1y4r h SER 89 CO 0.08 0.81 0.10 -0.33 -0.53 0.00 0.00 176.83 176.96 1y4r h GLU 90 N 0.52 0.39 -0.61 2.24 5.08 -1.29 -2.72 114.58 118.18 1y4r h GLU 90 Ca 0.11 -0.08 0.05 0.00 -1.00 0.00 0.00 59.36 58.45 1y4r h GLU 90 Cb 0.46 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 1y4r h GLU 90 CO 0.02 0.44 0.33 1.25 -1.00 0.00 0.00 179.01 180.05 1y4r h LEU 91 N 0.26 0.49 -1.18 1.33 5.85 -1.20 0.51 115.31 121.37 1y4r h LEU 91 Ca 0.09 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.77 1y4r h LEU 91 Cb 0.20 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1y4r h LEU 91 CO -0.01 0.33 -0.07 0.45 -0.34 0.00 0.00 178.44 178.80 1y4r h HIS 92 N 0.63 0.50 0.00 1.25 3.86 -1.27 0.69 115.15 120.81 1y4r h HIS 92 Ca 0.27 -0.06 -0.00 0.00 -1.16 0.00 0.00 60.37 59.42 1y4r h HIS 92 Cb 0.16 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.49 1y4r h HIS 92 CO -0.09 0.55 -0.00 0.00 0.86 0.00 0.00 177.93 179.25 1y4r h ASP 94 N -0.47 0.00 0.00 0.00 3.32 -1.01 -2.97 116.42 115.30 1y4r h ASP 94 Ca -0.00 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.81 1y4r h ASP 94 Cb 0.00 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.52 1y4r h ASP 94 CO 0.00 0.50 -1.75 0.29 -1.72 0.00 0.00 179.24 176.56 1y4r n LYS 95 N -3.70 0.33 0.07 3.56 4.01 0.11 -4.81 118.16 117.73 1y4r n LYS 95 Ca -0.01 0.14 0.01 0.00 -0.51 0.00 0.00 58.31 57.94 1y4r n LYS 95 Cb 0.56 -1.06 -0.04 0.00 -0.51 0.00 0.00 35.03 33.98 1y4r n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 1y4r h LEU 96 N -0.57 0.00 -1.17 -0.35 3.38 -1.29 -3.49 115.31 111.82 1y4r h LEU 96 Ca -0.36 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.19 1y4r h LEU 96 Cb 1.27 0.00 0.07 0.00 0.09 0.00 0.00 40.66 42.10 1y4r h LEU 96 CO -0.22 0.57 -0.74 1.41 0.09 0.00 0.00 178.44 179.55 1y4r n HIS 97 N -3.04 -2.43 -3.14 1.13 8.25 0.14 -4.94 115.22 111.18 1y4r n HIS 97 Ca -0.05 0.94 -0.41 0.00 -0.26 0.00 0.00 57.72 57.95 1y4r n HIS 97 Cb 0.81 -4.60 -0.07 0.00 1.12 0.00 0.00 29.99 27.25 1y4r n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1y4r s VAL 98 N -3.38 4.99 0.09 1.59 1.01 -0.70 -5.03 120.40 118.97 1y4r s VAL 98 Ca 0.43 1.01 -0.31 0.00 0.00 0.00 0.00 61.98 63.11 1y4r s VAL 98 Cb -0.20 -3.93 -0.08 0.00 0.00 0.00 0.00 36.38 32.17 1y4r s VAL 98 CO 0.78 -0.00 1.55 -0.62 0.00 0.00 0.00 175.10 176.81 1y4r s ASP 99 N 1.53 6.67 0.63 3.32 3.68 -1.26 -4.74 116.67 126.50 1y4r s ASP 99 Ca 0.25 2.43 0.25 0.00 2.13 0.00 0.00 52.55 57.61 1y4r s ASP 99 Cb -0.15 -2.57 1.36 0.00 -1.45 0.00 0.00 42.92 40.11 1y4r s ASP 99 CO 0.09 -0.81 1.76 -0.65 0.13 0.00 0.00 175.17 175.69 1y4r h PRO 100 N 7.66 0.00 -0.17 4.34 0.11 -1.97 -1.82 132.00 140.15 1y4r h PRO 100 Ca -0.42 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.69 1y4r h PRO 100 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1y4r h PRO 100 CO 0.91 0.00 0.08 1.49 -0.21 0.00 0.00 178.00 180.27 1y4r h GLU 101 N 0.00 0.22 -0.64 1.05 4.57 -1.98 -1.24 114.58 116.56 1y4r h GLU 101 Ca 0.00 -0.02 0.09 0.00 -1.18 0.00 0.00 59.36 58.25 1y4r h GLU 101 Cb 0.81 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.31 1y4r h GLU 101 CO 0.00 0.18 0.42 -0.91 -1.18 0.00 0.00 179.01 177.52 1y4r h ASN 102 N 0.23 0.45 -0.09 1.04 -0.26 -1.71 -0.63 115.58 114.60 1y4r h ASN 102 Ca 0.06 0.01 -0.10 0.00 -0.56 0.00 0.00 56.30 55.70 1y4r h ASN 102 Cb 0.03 -0.09 -0.01 0.00 -1.06 0.00 0.00 38.32 37.19 1y4r h ASN 102 CO -0.01 0.27 -0.27 -0.26 -1.06 0.00 0.00 177.43 176.11 1y4r h PHE 103 N 0.50 0.62 -0.02 1.19 0.04 -1.40 -1.29 116.94 116.58 1y4r h PHE 103 Ca 0.29 -0.14 -0.24 0.00 2.80 0.00 0.00 57.97 60.68 1y4r h PHE 103 Cb 0.48 -0.15 0.01 0.00 2.20 0.00 0.00 35.95 38.49 1y4r h PHE 103 CO -0.00 0.76 -0.95 0.00 -0.60 0.00 0.00 178.31 177.52 1y4r h ARG 104 N 0.48 0.54 -0.12 1.51 3.08 -1.35 -2.18 114.38 116.34 1y4r h ARG 104 Ca 0.07 -0.56 -0.00 0.00 0.07 0.00 0.00 59.98 59.55 1y4r h ARG 104 Cb 0.72 0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.91 1y4r h ARG 104 CO 0.05 1.19 0.06 -0.07 -1.07 0.00 0.00 179.97 180.13 1y4r h LEU 105 N 0.31 0.15 -0.28 3.04 3.38 -0.84 -2.28 115.31 118.78 1y4r h LEU 105 Ca -0.09 -0.10 0.04 0.00 0.09 0.00 0.00 57.88 57.82 1y4r h LEU 105 Cb 1.59 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 42.26 1y4r h LEU 105 CO 0.18 0.21 0.03 0.25 0.09 0.00 0.00 178.44 179.19 1y4r h LEU 106 N 0.09 -0.05 -0.65 1.67 5.85 -1.28 -0.39 115.31 120.55 1y4r h LEU 106 Ca 0.04 0.06 0.13 0.00 0.84 0.00 0.00 57.88 58.95 1y4r h LEU 106 Cb 0.09 0.09 -0.10 0.00 0.37 0.00 0.00 40.66 41.11 1y4r h LEU 106 CO -0.01 0.01 0.10 1.23 -0.34 0.00 0.00 178.44 179.43 1y4r h GLY 107 N 0.12 0.81 1.18 3.75 0.00 -1.23 1.55 103.07 109.25 1y4r h GLY 107 Ca 0.13 0.01 -0.13 0.00 0.00 0.00 0.00 47.33 47.35 1y4r h GLY 107 CO -0.20 -0.17 -0.21 3.43 0.00 0.00 0.00 176.54 179.39 1y4r h ASN 108 N 0.21 0.96 -0.24 0.19 2.35 -0.87 -1.68 115.58 116.51 1y4r h ASN 108 Ca 0.35 -0.35 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1y4r h ASN 108 Cb 0.57 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 1y4r h ASN 108 CO -0.48 1.13 0.12 0.58 -1.65 0.00 0.00 177.43 177.13 1y4r h VAL 109 N 0.82 1.13 -0.52 2.81 2.07 0.12 -2.35 116.25 120.33 1y4r h VAL 109 Ca 0.11 -0.36 0.10 0.00 0.82 0.00 0.00 66.70 67.36 1y4r h VAL 109 Cb 0.77 0.94 -0.11 0.00 -1.52 0.00 0.00 31.29 31.37 1y4r h VAL 109 CO 0.06 0.13 -0.32 0.25 0.02 0.00 0.00 177.57 177.72 1y4r h LEU 110 N 0.26 -1.08 -1.13 2.57 5.85 0.24 0.81 115.31 122.83 1y4r h LEU 110 Ca 0.08 0.21 0.11 0.00 0.84 0.00 0.00 57.88 59.12 1y4r h LEU 110 Cb 0.10 0.53 -0.07 0.00 0.37 0.00 0.00 40.66 41.59 1y4r h LEU 110 CO -0.01 -0.30 0.60 0.58 -0.34 0.00 0.00 178.44 178.97 1y4r h VAL 111 N -0.18 0.95 -0.37 1.05 2.07 -1.10 0.26 116.25 118.93 1y4r h VAL 111 Ca 0.21 -0.32 -0.13 0.00 0.82 0.00 0.00 66.70 67.29 1y4r h VAL 111 Cb 0.54 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1y4r h VAL 111 CO -0.62 0.17 -0.27 0.00 0.02 0.00 0.00 177.57 176.87 1y4r h VAL 113 N 0.67 1.23 -0.76 0.00 2.07 0.28 -0.92 116.25 118.82 1y4r h VAL 113 Ca 0.08 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1y4r h VAL 113 Cb 0.80 1.20 -0.04 0.00 -1.52 0.00 0.00 31.29 31.73 1y4r h VAL 113 CO 0.07 0.26 0.48 -0.07 0.02 0.00 0.00 177.57 178.33 1y4r h LEU 114 N 0.30 0.89 -0.60 2.57 3.38 -0.88 -0.23 115.31 120.74 1y4r h LEU 114 Ca 0.09 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1y4r h LEU 114 Cb 0.34 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1y4r h LEU 114 CO 0.01 0.66 0.22 0.00 0.09 0.00 0.00 178.44 179.42 1y4r h ALA 115 N 1.26 0.78 -0.44 1.53 0.00 -1.10 -0.21 119.26 121.08 1y4r h ALA 115 Ca 0.28 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.06 1y4r h ALA 115 Cb -0.08 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.42 1y4r h ALA 115 CO -0.06 0.42 0.15 1.25 0.00 0.00 0.00 179.25 181.01 1y4r h HIS 116 N 0.84 0.27 -0.04 0.00 -0.00 -0.46 -0.90 115.15 114.85 1y4r h HIS 116 Ca 0.20 0.02 -0.11 0.00 -0.00 0.00 0.00 60.37 60.48 1y4r h HIS 116 Cb 0.24 -0.05 0.01 0.00 -0.00 0.00 0.00 27.41 27.60 1y4r h HIS 116 CO 0.01 0.09 -0.40 0.45 -0.00 0.00 0.00 177.93 178.09 1y4r h HIS 117 N 0.32 0.47 -0.02 5.26 -0.00 -0.85 -3.37 115.15 116.96 1y4r h HIS 117 Ca 0.21 -0.23 0.00 0.00 -0.00 0.00 0.00 60.37 60.35 1y4r h HIS 117 Cb 0.21 -0.06 0.00 0.00 -0.00 0.00 0.00 27.41 27.55 1y4r h HIS 117 CO -0.16 1.01 -0.28 1.19 -0.00 0.00 0.00 177.93 179.69 1y4r n PHE 118 N -4.37 0.00 0.00 2.45 3.01 -0.11 -5.03 117.46 113.42 1y4r n PHE 118 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.37 1y4r n PHE 118 Cb 0.56 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 40.01 1y4r n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1y4r n GLY 119 N 1.37 2.11 0.34 1.37 0.00 -0.35 -0.84 105.19 109.20 1y4r n GLY 119 Ca 0.12 0.32 0.02 0.00 0.00 0.00 0.00 46.02 46.48 1y4r n GLY 119 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1y4r n LYS 120 N 14.00 -0.15 -0.11 1.61 2.85 -1.26 -1.01 118.16 134.09 1y4r n LYS 120 Ca 0.00 1.43 0.21 0.00 -1.05 0.00 0.00 58.31 58.90 1y4r n LYS 120 Cb 0.00 -2.13 0.64 0.00 -0.65 0.00 0.00 35.03 32.89 1y4r n LYS 120 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 1y4r h GLU 121 N 0.00 0.14 -3.70 -1.58 4.81 -1.39 -3.27 114.58 109.59 1y4r h GLU 121 Ca 0.38 -0.01 -0.75 0.00 -0.13 0.00 0.00 59.36 58.85 1y4r h GLU 121 Cb 0.61 -0.03 -0.15 0.00 0.63 0.00 0.00 28.75 29.81 1y4r h GLU 121 CO -0.93 0.09 1.98 0.34 -0.73 0.00 0.00 179.01 179.76 1y4r n PHE 122 N -4.39 3.23 -1.63 0.92 7.35 -0.18 -4.91 117.46 117.85 1y4r n PHE 122 Ca 0.14 -2.87 -0.31 0.00 -0.76 0.00 0.00 57.45 53.65 1y4r n PHE 122 Cb 0.69 -2.00 0.04 0.00 0.35 0.00 0.00 39.48 38.56 1y4r n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1y4r s THR 123 N 0.65 4.15 0.23 -2.13 -4.23 -1.24 -4.75 115.64 108.33 1y4r s THR 123 Ca 0.40 0.70 -0.09 0.00 -1.18 0.00 0.00 61.69 61.53 1y4r s THR 123 Cb 0.08 -3.49 0.25 0.00 1.34 0.00 0.00 72.50 70.69 1y4r s THR 123 CO 0.00 -0.91 1.64 -0.65 -0.54 0.00 0.00 174.62 174.16 1y4r h PRO 124 N -0.64 0.10 -0.28 3.99 0.11 -1.93 0.48 132.00 133.83 1y4r h PRO 124 Ca -0.44 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.60 1y4r h PRO 124 Cb 1.21 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1y4r h PRO 124 CO 0.58 0.06 -0.13 -1.35 -0.21 0.00 0.00 178.00 176.95 1y4r h PRO 125 N 0.10 0.47 -0.06 1.05 0.11 -1.99 -0.61 132.00 131.07 1y4r h PRO 125 Ca 0.38 -0.13 -0.23 0.00 0.11 0.00 0.00 66.00 66.13 1y4r h PRO 125 Cb 0.65 -0.05 0.01 0.00 0.11 0.00 0.00 31.00 31.71 1y4r h PRO 125 CO -0.63 0.60 -0.88 0.28 -0.21 0.00 0.00 178.00 177.16 1y4r h VAL 126 N 0.44 1.33 -0.87 3.15 2.07 -0.60 -3.00 116.25 118.77 1y4r h VAL 126 Ca 0.08 -2.21 -0.02 0.00 0.82 0.00 0.00 66.70 65.37 1y4r h VAL 126 Cb 0.49 2.23 -0.04 0.00 -1.52 0.00 0.00 31.29 32.44 1y4r h VAL 126 CO 0.03 0.68 0.46 -0.61 0.02 0.00 0.00 177.57 178.14 1y4r h GLN 127 N 0.36 1.23 -0.42 1.57 4.15 -0.15 -2.04 115.11 119.82 1y4r h GLN 127 Ca -0.07 -0.16 0.05 0.00 0.77 0.00 0.00 58.65 59.24 1y4r h GLN 127 Cb 1.51 -0.23 -0.05 0.00 0.21 0.00 0.00 27.48 28.91 1y4r h GLN 127 CO 0.17 0.92 0.14 0.00 -1.93 0.00 0.00 178.83 178.13 1y4r h ALA 128 N 1.27 0.50 -0.61 3.38 0.00 -1.05 0.40 119.26 123.14 1y4r h ALA 128 Ca 0.30 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.20 1y4r h ALA 128 Cb 0.06 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1y4r h ALA 128 CO -0.04 -0.25 0.12 0.00 0.00 0.00 0.00 179.25 179.07 1y4r h ALA 129 N 1.28 1.05 -0.17 0.00 0.00 -1.38 -2.45 119.26 117.60 1y4r h ALA 129 Ca 0.20 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 1y4r h ALA 129 Cb 0.19 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1y4r h ALA 129 CO -0.21 0.61 -0.44 1.88 0.00 0.00 0.00 179.25 181.10 1y4r h TYR 130 N 0.92 0.48 -0.43 0.00 0.05 -0.54 -2.25 116.97 115.20 1y4r h TYR 130 Ca 0.19 -0.14 -0.05 0.00 0.05 0.00 0.00 58.73 58.78 1y4r h TYR 130 Cb 0.38 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 38.00 1y4r h TYR 130 CO 0.03 0.77 0.05 1.96 -1.05 0.00 0.00 178.16 179.92 1y4r h GLN 131 N 0.33 0.67 -0.18 4.88 1.08 0.01 0.28 115.11 122.17 1y4r h GLN 131 Ca 0.02 -0.14 -0.14 0.00 -1.45 0.00 0.00 58.65 56.94 1y4r h GLN 131 Cb 0.91 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 28.23 1y4r h GLN 131 CO 0.08 0.65 -0.46 0.87 -0.95 0.00 0.00 178.83 179.01 1y4r h LYS 132 N 0.64 0.46 -0.11 1.46 1.57 -1.11 -2.47 116.57 117.00 1y4r h LYS 132 Ca 0.14 -0.25 -0.15 0.00 -1.87 0.00 0.00 60.65 58.52 1y4r h LYS 132 Cb 0.33 0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.66 1y4r h LYS 132 CO 0.01 0.83 -0.51 0.28 -0.57 0.00 0.00 179.45 179.49 1y4r h VAL 133 N 0.37 1.36 -0.61 0.50 2.07 -0.69 -1.60 116.25 117.66 1y4r h VAL 133 Ca 0.02 -1.82 -0.03 0.00 0.82 0.00 0.00 66.70 65.69 1y4r h VAL 133 Cb 0.96 2.15 -0.03 0.00 -1.52 0.00 0.00 31.29 32.85 1y4r h VAL 133 CO 0.08 0.55 0.24 -0.37 0.02 0.00 0.00 177.57 178.10 1y4r h VAL 134 N 0.16 1.23 -0.24 2.57 -1.51 -1.02 0.43 116.25 117.87 1y4r h VAL 134 Ca -0.03 -0.71 0.01 0.00 -1.23 0.00 0.00 66.70 64.74 1y4r h VAL 134 Cb 1.15 0.56 -0.02 0.00 -2.13 0.00 0.00 31.29 30.85 1y4r h VAL 134 CO 0.11 0.28 0.12 0.00 -1.23 0.00 0.00 177.57 176.84 1y4r h ALA 135 N 1.09 0.28 -0.05 5.19 0.00 -1.48 -0.76 119.26 123.54 1y4r h ALA 135 Ca 0.20 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.14 1y4r h ALA 135 Cb 0.20 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1y4r h ALA 135 CO -0.02 -0.29 -0.07 0.78 0.00 0.00 0.00 179.25 179.65 1y4r h GLY 136 N 0.25 -0.04 0.81 0.00 0.00 -0.84 -1.21 103.07 102.03 1y4r h GLY 136 Ca 0.10 0.09 0.03 0.00 0.00 0.00 0.00 47.33 47.54 1y4r h GLY 136 CO -0.07 -0.08 0.14 -2.08 0.00 0.00 0.00 176.54 174.45 1y4r h VAL 137 N -0.11 0.96 -0.80 4.60 2.07 0.10 -0.32 116.25 122.74 1y4r h VAL 137 Ca 0.05 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.49 1y4r h VAL 137 Cb 0.17 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 30.53 1y4r h VAL 137 CO -0.11 0.06 0.52 0.00 0.02 0.00 0.00 177.57 178.05 1y4r h ALA 138 N 1.18 1.04 -0.45 1.67 0.00 -0.78 0.29 119.26 122.22 1y4r h ALA 138 Ca 0.14 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1y4r h ALA 138 Cb 0.07 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1y4r h ALA 138 CO -0.11 0.36 0.09 -0.91 0.00 0.00 0.00 179.25 178.69 1y4r h ASN 139 N 1.03 0.69 -0.13 0.00 2.35 -0.91 -1.25 115.58 117.36 1y4r h ASN 139 Ca 0.31 -0.24 0.01 0.00 -0.55 0.00 0.00 56.30 55.83 1y4r h ASN 139 Cb -0.04 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 1y4r h ASN 139 CO -0.10 0.76 0.03 0.00 -1.65 0.00 0.00 177.43 176.47 1y4r h ALA 140 N 0.96 0.13 0.00 -0.83 0.00 -0.52 -0.74 119.26 118.27 1y4r h ALA 140 Ca 0.14 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1y4r h ALA 140 Cb 0.35 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1y4r h ALA 140 CO 0.00 -0.42 -0.14 -0.07 0.00 0.00 0.00 179.25 178.62 1y4r h LEU 141 N 0.09 0.00 0.00 0.00 3.38 -0.70 -2.86 115.31 115.22 1y4r h LEU 141 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1y4r h LEU 141 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1y4r h LEU 141 CO -0.07 0.14 -0.72 0.00 0.09 0.00 0.00 178.44 177.88 1y4r n ALA 142 N -2.46 3.29 -0.27 1.53 0.00 -0.49 -4.32 120.51 117.78 1y4r n ALA 142 Ca -0.02 -0.33 0.08 0.00 0.00 0.00 0.00 53.44 53.16 1y4r n ALA 142 Cb 0.22 -1.09 0.20 0.00 0.00 0.00 0.00 19.45 18.78 1y4r n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1y4r h HIS 143 N 0.00 0.15 -0.20 0.00 6.17 -0.91 -2.04 115.15 118.33 1y4r h HIS 143 Ca 0.00 0.05 0.00 0.00 0.71 0.00 0.00 60.37 61.13 1y4r h HIS 143 Cb 0.66 0.06 0.00 0.00 2.52 0.00 0.00 27.41 30.65 1y4r h HIS 143 CO 0.00 -0.19 0.00 1.63 0.71 0.00 0.00 177.93 180.08 1y4r n LYS 144 N -5.26 1.69 -2.26 5.26 4.76 -1.26 -4.92 118.16 116.17 1y4r n LYS 144 Ca 0.16 -1.05 -0.40 0.00 -2.87 0.00 0.00 58.31 54.15 1y4r n LYS 144 Cb 0.53 -1.35 -0.03 0.00 -1.84 0.00 0.00 35.03 32.35 1y4r n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1y4r s TYR 145 N -1.74 3.25 0.00 2.13 2.02 -0.77 -4.80 117.35 117.44 1y4r s TYR 145 Ca 0.29 1.53 0.00 0.00 -0.37 0.00 0.00 57.07 58.52 1y4r s TYR 145 Cb 0.15 -3.52 0.00 0.00 -0.40 0.00 0.00 41.96 38.19 1y4r s TYR 145 CO 0.23 -1.35 0.00 -2.39 -1.57 0.00 0.00 175.55 170.47