#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y4b s LEU 2 N 0.00 4.14 0.73 7.52 1.43 -1.26 -5.05 118.68 126.19 1y4b s LEU 2 Ca 0.00 1.50 -0.10 0.00 -1.03 0.00 0.00 54.13 54.50 1y4b s LEU 2 Cb 0.00 -3.54 0.05 0.00 0.03 0.00 0.00 46.19 42.72 1y4b s LEU 2 CO 0.00 -0.68 1.08 -0.94 0.23 0.00 0.00 176.35 176.05 1y4b s SER 3 N 1.44 5.02 0.23 2.29 1.04 -1.26 -4.86 113.70 117.60 1y4b s SER 3 Ca 0.48 0.83 -0.06 0.00 0.48 0.00 0.00 55.95 57.68 1y4b s SER 3 Cb -0.18 -1.51 0.38 0.00 0.10 0.00 0.00 66.02 64.81 1y4b s SER 3 CO 0.10 -1.55 1.76 -0.65 0.98 0.00 0.00 173.24 173.88 1y4b h PRO 4 N -0.72 0.54 -0.81 4.02 0.11 -2.00 -0.65 132.00 132.50 1y4b h PRO 4 Ca -0.45 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.66 1y4b h PRO 4 Cb 1.29 -0.12 -0.05 0.00 0.11 0.00 0.00 31.00 32.23 1y4b h PRO 4 CO 0.64 0.36 0.51 0.00 -0.21 0.00 0.00 178.00 179.29 1y4b h ALA 5 N 1.47 1.07 -0.01 -0.75 0.00 -1.99 -1.68 119.26 117.37 1y4b h ALA 5 Ca 0.37 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 1y4b h ALA 5 Cb 0.45 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1y4b h ALA 5 CO -0.31 0.30 0.00 -0.44 0.00 0.00 0.00 179.25 178.81 1y4b h ASP 6 N 0.97 0.01 -0.22 0.00 3.32 -1.52 0.15 116.42 119.14 1y4b h ASP 6 Ca 0.33 -0.06 0.03 0.00 0.02 0.00 0.00 57.03 57.35 1y4b h ASP 6 Cb 0.06 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 1y4b h ASP 6 CO -0.13 0.07 0.04 0.11 -1.72 0.00 0.00 179.24 177.60 1y4b h LYS 7 N -0.05 0.12 -0.88 3.56 1.57 -1.01 0.24 116.57 120.12 1y4b h LYS 7 Ca 0.00 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.84 1y4b h LYS 7 Cb 0.06 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.28 1y4b h LYS 7 CO -0.00 0.08 0.57 1.15 -0.57 0.00 0.00 179.45 180.68 1y4b h THR 8 N 0.12 1.05 -0.26 -0.16 2.02 -1.07 0.28 112.91 114.89 1y4b h THR 8 Ca 0.10 -0.34 -0.11 0.00 0.77 0.00 0.00 66.41 66.83 1y4b h THR 8 Cb 0.10 -0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 66.49 1y4b h THR 8 CO -0.13 0.18 -0.28 0.78 0.37 0.00 0.00 175.52 176.44 1y4b h ASN 9 N 0.98 0.70 0.02 4.18 2.35 0.94 -2.50 115.58 122.26 1y4b h ASN 9 Ca 0.38 -0.48 -0.00 0.00 -0.55 0.00 0.00 56.30 55.65 1y4b h ASN 9 Cb 0.23 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.40 1y4b h ASN 9 CO -0.14 1.04 -0.01 0.58 -1.65 0.00 0.00 177.43 177.24 1y4b h VAL 10 N 0.38 1.18 -0.81 2.81 2.07 0.11 -2.33 116.25 119.65 1y4b h VAL 10 Ca 0.04 -0.61 0.09 0.00 0.82 0.00 0.00 66.70 67.04 1y4b h VAL 10 Cb 0.85 1.59 -0.07 0.00 -1.52 0.00 0.00 31.29 32.13 1y4b h VAL 10 CO 0.07 0.16 0.46 0.11 0.02 0.00 0.00 177.57 178.39 1y4b h LYS 11 N -0.29 0.76 -0.32 1.57 1.57 -0.49 -2.19 116.57 117.17 1y4b h LYS 11 Ca -0.00 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.64 1y4b h LYS 11 Cb 0.28 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1y4b h LYS 11 CO 0.01 0.50 -0.15 0.00 -0.57 0.00 0.00 179.45 179.24 1y4b h ALA 12 N 1.45 0.45 -0.25 3.86 0.00 -1.34 -1.47 119.26 121.96 1y4b h ALA 12 Ca 0.39 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1y4b h ALA 12 Cb 0.35 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1y4b h ALA 12 CO -0.24 0.35 -0.03 0.00 0.00 0.00 0.00 179.25 179.33 1y4b h ALA 13 N 0.77 0.33 0.00 0.00 0.00 -1.24 -2.65 119.26 116.47 1y4b h ALA 13 Ca 0.07 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1y4b h ALA 13 Cb 0.68 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1y4b h ALA 13 CO 0.05 0.09 -0.14 2.35 0.00 0.00 0.00 179.25 181.60 1y4b h TRP 14 N 0.21 0.00 -0.61 0.00 2.91 -1.40 -1.43 115.95 115.62 1y4b h TRP 14 Ca 0.07 0.00 -0.03 0.00 1.13 0.00 0.00 58.89 60.05 1y4b h TRP 14 Cb 0.46 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 29.08 1y4b h TRP 14 CO 0.04 0.14 0.25 0.78 -1.03 0.00 0.00 178.44 178.62 1y4b h GLY 15 N 1.01 0.98 2.00 2.65 0.00 -0.92 -1.28 103.07 107.51 1y4b h GLY 15 Ca -0.00 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 46.80 1y4b h GLY 15 CO 0.02 0.50 0.00 0.50 0.00 0.00 0.00 176.54 177.55 1y4b h LYS 16 N 0.85 0.00 -0.52 4.80 1.79 -0.98 -2.29 116.57 120.23 1y4b h LYS 16 Ca 0.21 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.56 1y4b h LYS 16 Cb 0.19 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.83 1y4b h LYS 16 CO -0.02 0.00 -0.12 0.28 -1.08 0.00 0.00 179.45 178.51 1y4b h VAL 17 N 0.00 1.27 0.00 0.50 2.07 -0.91 -3.45 116.25 115.72 1y4b h VAL 17 Ca 0.00 -1.28 0.00 0.00 0.82 0.00 0.00 66.70 66.24 1y4b h VAL 17 Cb 0.47 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1y4b h VAL 17 CO 0.00 0.45 0.00 0.61 0.02 0.00 0.00 177.57 178.65 1y4b n GLY 18 N -0.23 2.91 0.01 2.17 0.00 -0.86 -1.31 105.19 107.88 1y4b n GLY 18 Ca 0.01 0.09 0.16 0.00 0.00 0.00 0.00 46.02 46.28 1y4b n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y4b n ALA 19 N 9.60 2.66 1.43 4.61 0.00 -1.26 -3.14 120.51 134.40 1y4b n ALA 19 Ca 0.00 -0.20 0.14 0.00 0.00 0.00 0.00 53.44 53.38 1y4b n ALA 19 Cb 0.00 -1.51 0.50 0.00 0.00 0.00 0.00 19.45 18.44 1y4b n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1y4b n HIS 20 N -1.02 0.00 -0.22 0.00 8.25 -0.42 -4.41 115.22 117.40 1y4b n HIS 20 Ca 0.22 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.65 1y4b n HIS 20 Cb 0.14 -0.05 0.03 0.00 1.12 0.00 0.00 29.99 31.23 1y4b n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1y4b h ALA 21 N 4.06 0.15 -0.20 -1.41 0.00 -1.62 0.19 119.26 120.42 1y4b h ALA 21 Ca 0.00 0.20 0.05 0.00 0.00 0.00 0.00 54.91 55.17 1y4b h ALA 21 Cb 0.47 0.69 -0.06 0.00 0.00 0.00 0.00 17.79 18.89 1y4b h ALA 21 CO 0.00 -0.58 -0.18 0.78 0.00 0.00 0.00 179.25 179.27 1y4b h GLY 22 N -0.10 -0.06 1.01 0.00 0.00 -1.84 0.23 103.07 102.31 1y4b h GLY 22 Ca 0.27 0.22 0.01 0.00 0.00 0.00 0.00 47.33 47.83 1y4b h GLY 22 CO -0.69 -0.17 0.57 0.83 0.00 0.00 0.00 176.54 177.08 1y4b h GLU 23 N -0.19 1.14 -0.29 4.80 5.08 -1.48 -1.55 114.58 122.09 1y4b h GLU 23 Ca 0.12 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.31 1y4b h GLU 23 Cb 0.37 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1y4b h GLU 23 CO -0.31 0.75 -0.23 1.88 -1.00 0.00 0.00 179.01 180.10 1y4b h TYR 24 N 1.17 0.63 -0.56 4.33 -1.99 0.02 -0.94 116.97 119.63 1y4b h TYR 24 Ca 0.32 -0.13 -0.00 0.00 2.00 0.00 0.00 58.73 60.91 1y4b h TYR 24 Cb -0.13 -0.15 -0.03 0.00 2.00 0.00 0.00 36.73 38.42 1y4b h TYR 24 CO -0.01 0.75 0.34 0.78 -0.00 0.00 0.00 178.16 180.01 1y4b h GLY 25 N 1.00 0.81 1.61 3.88 0.00 0.28 -0.39 103.07 110.26 1y4b h GLY 25 Ca 0.07 -0.34 -0.13 0.00 0.00 0.00 0.00 47.33 46.94 1y4b h GLY 25 CO 0.05 0.33 -0.44 0.00 0.00 0.00 0.00 176.54 176.48 1y4b h ALA 26 N 1.17 0.92 -0.36 3.60 0.00 -1.04 -2.16 119.26 121.38 1y4b h ALA 26 Ca 0.20 -0.45 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 1y4b h ALA 26 Cb -0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1y4b h ALA 26 CO -0.04 0.64 -0.17 1.49 0.00 0.00 0.00 179.25 181.17 1y4b h GLU 27 N 0.35 0.76 -0.65 0.00 4.81 -0.65 -0.24 114.58 118.96 1y4b h GLU 27 Ca 0.03 -0.33 0.01 0.00 -0.13 0.00 0.00 59.36 58.93 1y4b h GLU 27 Cb 0.92 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.24 1y4b h GLU 27 CO 0.08 0.95 0.43 0.00 -0.73 0.00 0.00 179.01 179.73 1y4b h ALA 28 N 0.79 0.83 -0.81 2.92 0.00 -0.95 0.47 119.26 122.51 1y4b h ALA 28 Ca 0.08 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1y4b h ALA 28 Cb 0.72 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1y4b h ALA 28 CO 0.05 0.26 0.38 -0.07 0.00 0.00 0.00 179.25 179.87 1y4b h LEU 29 N 0.88 1.08 -0.58 0.00 3.38 -1.16 -0.12 115.31 118.79 1y4b h LEU 29 Ca 0.24 -0.14 -0.12 0.00 0.09 0.00 0.00 57.88 57.94 1y4b h LEU 29 Cb -0.09 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.37 1y4b h LEU 29 CO -0.05 0.92 -0.20 -0.08 0.09 0.00 0.00 178.44 179.12 1y4b h GLU 30 N 1.16 0.92 -0.64 1.13 4.81 -0.26 -1.35 114.58 120.35 1y4b h GLU 30 Ca 0.28 -0.38 -0.04 0.00 -0.13 0.00 0.00 59.36 59.09 1y4b h GLU 30 Cb 0.14 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 1y4b h GLU 30 CO -0.03 1.03 0.23 0.00 -0.73 0.00 0.00 179.01 179.51 1y4b h ARG 31 N 0.80 0.98 -0.55 1.92 3.08 -0.37 -2.78 114.38 117.47 1y4b h ARG 31 Ca 0.11 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1y4b h ARG 31 Cb 0.76 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.63 1y4b h ARG 31 CO 0.06 0.85 0.34 1.98 -1.07 0.00 0.00 179.97 182.13 1y4b h MET 32 N 0.92 0.73 -0.11 0.04 4.05 -0.51 0.13 114.93 120.18 1y4b h MET 32 Ca 0.21 -0.06 -0.08 0.00 -0.28 0.00 0.00 59.70 59.50 1y4b h MET 32 Cb 0.25 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 30.88 1y4b h MET 32 CO -0.01 0.51 -0.28 0.74 0.23 0.00 0.00 176.91 178.11 1y4b h PHE 33 N 0.74 0.22 0.21 1.39 0.04 -1.15 0.14 116.94 118.53 1y4b h PHE 33 Ca 0.20 -0.04 -0.32 0.00 2.80 0.00 0.00 57.97 60.61 1y4b h PHE 33 Cb -0.04 -0.06 0.03 0.00 2.20 0.00 0.00 35.95 38.08 1y4b h PHE 33 CO -0.03 0.46 -1.47 -0.07 -0.60 0.00 0.00 178.31 176.60 1y4b h LEU 34 N 0.18 0.71 -0.06 1.54 3.38 -1.18 -3.30 115.31 116.57 1y4b h LEU 34 Ca 0.03 -0.93 -0.24 0.00 0.09 0.00 0.00 57.88 56.83 1y4b h LEU 34 Cb 0.59 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1y4b h LEU 34 CO 0.04 1.69 -1.06 0.28 0.09 0.00 0.00 178.44 179.49 1y4b h SER 35 N 0.04 0.37 -2.30 -0.43 0.02 -0.57 -3.39 113.55 107.28 1y4b h SER 35 Ca -0.27 -0.35 -0.59 0.00 -0.84 0.00 0.00 61.79 59.74 1y4b h SER 35 Cb 2.06 -0.12 -0.40 0.00 0.14 0.00 0.00 62.40 64.08 1y4b h SER 35 CO 0.22 1.21 -0.82 0.49 -1.14 0.00 0.00 176.83 176.79 1y4b n PHE 36 N -3.60 1.57 0.22 3.45 3.72 0.47 -4.98 117.46 118.32 1y4b n PHE 36 Ca -0.06 -3.86 0.18 0.00 -0.05 0.00 0.00 57.45 53.66 1y4b n PHE 36 Cb 0.92 -0.37 0.85 0.00 -0.94 0.00 0.00 39.48 39.93 1y4b n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1y4b h PRO 37 N 4.54 0.00 -0.05 -1.08 0.11 -1.74 0.84 132.00 134.63 1y4b h PRO 37 Ca 0.16 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.28 1y4b h PRO 37 Cb 0.79 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.89 1y4b h PRO 37 CO 0.62 0.00 0.04 1.79 -0.21 0.00 0.00 178.00 180.25 1y4b h THR 38 N 0.00 0.67 0.00 -1.15 1.35 -1.92 -2.17 112.91 109.69 1y4b h THR 38 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.94 1y4b h THR 38 Cb 0.62 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 1y4b h THR 38 CO -0.00 0.00 0.00 0.71 -0.25 0.00 0.00 175.52 175.98 1y4b h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.15 -2.40 112.91 117.53 1y4b h THR 39 Ca 0.02 -0.37 -0.01 0.00 -0.55 0.00 0.00 66.41 65.50 1y4b h THR 39 Cb 0.11 1.35 -0.00 0.00 -1.73 0.00 0.00 68.15 67.88 1y4b h THR 39 CO -0.00 0.00 -0.07 0.11 -0.25 0.00 0.00 175.52 175.31 1y4b h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.58 -2.92 116.57 118.36 1y4b h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1y4b h LYS 40 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1y4b h LYS 40 CO 0.00 0.07 0.14 1.79 -0.57 0.00 0.00 179.45 180.88 1y4b h THR 41 N 0.00 0.00 -0.01 -0.16 1.35 -1.62 -0.72 112.91 111.74 1y4b h THR 41 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1y4b h THR 41 Cb 0.31 0.55 0.00 0.00 -1.73 0.00 0.00 68.15 67.28 1y4b h THR 41 CO 0.01 0.00 -0.26 -1.22 -0.25 0.00 0.00 175.52 173.80 1y4b n TYR 42 N -2.45 0.00 -2.54 4.73 4.01 -1.10 -4.35 117.16 115.46 1y4b n TYR 42 Ca -0.02 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.53 1y4b n TYR 42 Cb 0.18 -0.04 0.01 0.00 -0.31 0.00 0.00 39.34 39.18 1y4b n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1y4b n PHE 43 N -0.04 2.49 0.30 -0.72 3.01 -0.28 -4.85 117.46 117.37 1y4b n PHE 43 Ca 0.12 -2.93 0.17 0.00 1.01 0.00 0.00 57.45 55.82 1y4b n PHE 43 Cb 0.43 -0.21 0.68 0.00 -0.01 0.00 0.00 39.48 40.37 1y4b n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1y4b h PRO 44 N 2.72 0.00 -0.00 -1.08 0.13 -1.76 -2.29 132.00 129.71 1y4b h PRO 44 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1y4b h PRO 44 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1y4b h PRO 44 CO 0.70 0.00 -0.13 -2.39 -0.23 0.00 0.00 178.00 175.95 1y4b n HIS 45 N -2.95 0.00 -3.43 1.56 1.44 -1.26 -4.87 115.22 105.71 1y4b n HIS 45 Ca 0.01 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.36 1y4b n HIS 45 Cb 0.28 -0.24 -0.06 0.00 0.12 0.00 0.00 29.99 30.10 1y4b n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1y4b s PHE 46 N -2.61 3.61 -0.25 -1.40 0.40 -0.86 -5.03 117.98 111.84 1y4b s PHE 46 Ca 0.25 0.98 -0.29 0.00 -0.60 0.00 0.00 56.93 57.27 1y4b s PHE 46 Cb 0.20 -2.30 0.01 0.00 0.51 0.00 0.00 43.02 41.43 1y4b s PHE 46 CO 0.50 0.47 1.10 0.34 0.70 0.00 0.00 175.22 178.34 1y4b s ASP 47 N -1.69 7.01 0.00 1.36 2.15 -1.26 -4.91 116.67 119.33 1y4b s ASP 47 Ca 0.35 1.34 0.23 0.00 0.43 0.00 0.00 52.55 54.90 1y4b s ASP 47 Cb -0.15 -2.54 0.63 0.00 -0.30 0.00 0.00 42.92 40.57 1y4b s ASP 47 CO 0.19 -0.76 1.53 0.18 -0.17 0.00 0.00 175.17 176.13 1y4b n LEU 48 N 6.59 3.92 -4.56 -1.34 4.77 -1.26 -4.61 117.00 120.51 1y4b n LEU 48 Ca 0.12 -1.94 -0.28 0.00 -0.03 0.00 0.00 56.01 53.88 1y4b n LEU 48 Cb 0.46 -0.47 0.23 0.00 -2.33 0.00 0.00 43.42 41.30 1y4b n LEU 48 CO 0.55 0.97 0.56 -0.94 -1.33 0.00 0.00 177.39 177.20 1y4b s SER 49 N -1.04 1.49 0.12 -1.43 1.04 -1.26 -4.89 113.70 107.74 1y4b s SER 49 Ca 0.49 1.31 -0.31 0.00 0.48 0.00 0.00 55.95 57.92 1y4b s SER 49 Cb 0.25 -2.05 -0.08 0.00 0.10 0.00 0.00 66.02 64.24 1y4b s SER 49 CO 0.33 -3.85 1.46 -2.28 0.98 0.00 0.00 173.24 169.88 1y4b s HIS 50 N -2.68 3.12 -0.27 5.02 2.46 -1.26 -2.68 115.29 119.01 1y4b s HIS 50 Ca 0.67 0.82 0.00 0.00 0.47 0.00 0.00 55.06 57.02 1y4b s HIS 50 Cb -0.22 -3.77 0.00 0.00 -0.13 0.00 0.00 32.58 28.46 1y4b s HIS 50 CO 0.62 -2.77 0.00 0.41 -2.47 0.00 0.00 174.74 170.53 1y4b n GLY 51 N 3.61 0.59 3.76 1.59 0.00 -1.26 -5.01 105.19 108.45 1y4b n GLY 51 Ca 0.12 -0.50 -0.37 0.00 0.00 0.00 0.00 46.02 45.27 1y4b n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y4b s SER 52 N -2.55 5.50 0.47 1.61 1.04 -1.09 -4.90 113.70 113.78 1y4b s SER 52 Ca 0.00 2.52 0.24 0.00 0.48 0.00 0.00 55.95 59.19 1y4b s SER 52 Cb 0.00 -2.61 1.16 0.00 0.10 0.00 0.00 66.02 64.66 1y4b s SER 52 CO 0.00 -1.39 1.94 0.00 0.98 0.00 0.00 173.24 174.78 1y4b h ALA 53 N 1.46 1.18 -0.15 5.32 0.00 -1.93 -2.13 119.26 123.01 1y4b h ALA 53 Ca -0.50 -0.18 -0.21 0.00 0.00 0.00 0.00 54.91 54.02 1y4b h ALA 53 Cb 1.28 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1y4b h ALA 53 CO 0.57 0.24 -0.73 1.96 0.00 0.00 0.00 179.25 181.30 1y4b h GLN 54 N 0.00 0.68 -0.37 0.00 4.20 -1.91 -0.41 115.11 117.30 1y4b h GLN 54 Ca -0.00 -0.53 -0.08 0.00 0.06 0.00 0.00 58.65 58.10 1y4b h GLN 54 Cb 0.54 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 1y4b h GLN 54 CO 0.03 1.15 -0.07 0.28 -0.67 0.00 0.00 178.83 179.54 1y4b h VAL 55 N 0.47 1.27 0.69 -0.54 2.07 -1.78 0.91 116.25 119.35 1y4b h VAL 55 Ca -0.04 -1.14 -0.03 0.00 0.82 0.00 0.00 66.70 66.31 1y4b h VAL 55 Cb 1.33 1.25 0.01 0.00 -1.52 0.00 0.00 31.29 32.36 1y4b h VAL 55 CO 0.14 0.38 -0.34 0.11 0.02 0.00 0.00 177.57 177.88 1y4b h LYS 56 N 0.51 -0.91 -0.82 1.57 1.57 -1.24 0.25 116.57 117.50 1y4b h LYS 56 Ca 0.10 0.06 0.11 0.00 -1.87 0.00 0.00 60.65 59.05 1y4b h LYS 56 Cb 0.58 0.21 -0.08 0.00 0.08 0.00 0.00 32.23 33.02 1y4b h LYS 56 CO 0.03 -0.60 0.46 0.78 -0.57 0.00 0.00 179.45 179.55 1y4b h GLY 57 N -0.94 1.29 1.30 3.86 0.00 -1.00 -0.45 103.07 107.14 1y4b h GLY 57 Ca -0.09 -0.29 -0.09 0.00 0.00 0.00 0.00 47.33 46.85 1y4b h GLY 57 CO 0.15 0.09 -0.08 0.84 0.00 0.00 0.00 176.54 177.53 1y4b h HIS 58 N 0.74 0.90 -0.72 5.60 -0.00 -0.20 -2.52 115.15 118.95 1y4b h HIS 58 Ca 0.41 -0.16 -0.03 0.00 -0.00 0.00 0.00 60.37 60.59 1y4b h HIS 58 Cb 0.43 -0.24 -0.03 0.00 -0.00 0.00 0.00 27.41 27.58 1y4b h HIS 58 CO -0.07 0.87 0.33 0.78 -0.00 0.00 0.00 177.93 179.84 1y4b h GLY 59 N 0.98 1.11 0.99 5.26 0.00 0.10 -1.22 103.07 110.30 1y4b h GLY 59 Ca 0.13 -0.55 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 1y4b h GLY 59 CO 0.03 0.52 0.33 1.70 0.00 0.00 0.00 176.54 179.13 1y4b h LYS 60 N 1.03 0.76 -0.28 4.80 3.64 -1.01 -1.71 116.57 123.81 1y4b h LYS 60 Ca 0.25 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.58 1y4b h LYS 60 Cb 0.13 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 1y4b h LYS 60 CO -0.03 0.55 0.13 0.87 -2.27 0.00 0.00 179.45 178.70 1y4b h LYS 61 N 0.75 0.27 -0.47 1.90 1.57 -0.97 -0.67 116.57 118.95 1y4b h LYS 61 Ca 0.20 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.94 1y4b h LYS 61 Cb -0.01 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 1y4b h LYS 61 CO -0.04 0.18 0.18 0.28 -0.57 0.00 0.00 179.45 179.48 1y4b h VAL 62 N 0.27 1.21 -0.66 0.50 2.07 -1.21 -1.94 116.25 116.49 1y4b h VAL 62 Ca 0.12 -0.65 -0.04 0.00 0.82 0.00 0.00 66.70 66.95 1y4b h VAL 62 Cb 0.05 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 1y4b h VAL 62 CO -0.09 0.24 0.26 0.00 0.02 0.00 0.00 177.57 178.00 1y4b h ALA 63 N 1.03 0.85 -0.13 1.67 0.00 -1.03 -2.36 119.26 119.29 1y4b h ALA 63 Ca 0.16 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1y4b h ALA 63 Cb 0.20 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1y4b h ALA 63 CO -0.01 0.47 -0.24 -0.44 0.00 0.00 0.00 179.25 179.03 1y4b h ASP 64 N 0.93 0.23 0.24 0.00 3.32 -0.87 -1.04 116.42 119.23 1y4b h ASP 64 Ca 0.22 -0.07 -0.14 0.00 0.02 0.00 0.00 57.03 57.06 1y4b h ASP 64 Cb 0.21 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1y4b h ASP 64 CO -0.02 0.49 -0.55 0.00 -1.72 0.00 0.00 179.24 177.44 1y4b h ALA 65 N 1.54 0.85 -0.30 3.45 0.00 -1.08 -2.18 119.26 121.54 1y4b h ALA 65 Ca 0.04 -0.51 -0.16 0.00 0.00 0.00 0.00 54.91 54.27 1y4b h ALA 65 Cb 0.56 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1y4b h ALA 65 CO 0.04 0.69 -0.47 -0.07 0.00 0.00 0.00 179.25 179.45 1y4b h LEU 66 N 0.26 0.86 -0.55 0.00 3.38 -0.99 -1.47 115.31 116.80 1y4b h LEU 66 Ca 0.00 -0.42 0.02 0.00 0.09 0.00 0.00 57.88 57.57 1y4b h LEU 66 Cb 1.05 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 1y4b h LEU 66 CO 0.09 1.19 0.35 0.74 0.09 0.00 0.00 178.44 180.89 1y4b h THR 67 N 0.63 1.10 -0.67 0.22 2.02 -1.12 -0.68 112.91 114.42 1y4b h THR 67 Ca 0.03 -0.24 0.02 0.00 0.77 0.00 0.00 66.41 66.99 1y4b h THR 67 Cb 1.04 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 1y4b h THR 67 CO 0.10 0.13 0.44 -1.13 0.37 0.00 0.00 175.52 175.43 1y4b h ASN 68 N 0.70 0.74 -0.14 4.18 -1.24 -1.21 -2.17 115.58 116.43 1y4b h ASN 68 Ca 0.21 -0.02 -0.19 0.00 0.71 0.00 0.00 56.30 57.01 1y4b h ASN 68 Cb -0.03 -0.18 0.00 0.00 0.73 0.00 0.00 38.32 38.84 1y4b h ASN 68 CO -0.07 0.53 -0.64 0.00 -1.29 0.00 0.00 177.43 175.95 1y4b h ALA 69 N 1.59 0.46 -0.92 1.57 0.00 -0.32 -1.07 119.26 120.58 1y4b h ALA 69 Ca 0.25 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1y4b h ALA 69 Cb -0.05 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1y4b h ALA 69 CO -0.06 0.69 0.56 0.28 0.00 0.00 0.00 179.25 180.72 1y4b h VAL 70 N 0.56 1.25 0.00 0.00 2.07 -0.82 0.32 116.25 119.63 1y4b h VAL 70 Ca -0.01 -0.53 -0.09 0.00 0.82 0.00 0.00 66.70 66.88 1y4b h VAL 70 Cb 1.25 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1y4b h VAL 70 CO 0.13 0.26 -0.44 0.00 0.02 0.00 0.00 177.57 177.54 1y4b h ALA 71 N 1.31 0.86 -0.81 1.67 0.00 -1.27 -3.01 119.26 118.00 1y4b h ALA 71 Ca 0.33 -0.40 -0.56 0.00 0.00 0.00 0.00 54.91 54.28 1y4b h ALA 71 Cb -0.07 -0.07 -0.33 0.00 0.00 0.00 0.00 17.79 17.32 1y4b h ALA 71 CO -0.06 0.55 0.01 0.72 0.00 0.00 0.00 179.25 180.47 1y4b n HIS 72 N -3.42 2.77 -0.13 0.00 8.25 -0.42 -4.82 115.22 117.46 1y4b n HIS 72 Ca 0.01 -2.48 0.00 0.00 -0.26 0.00 0.00 57.72 54.99 1y4b n HIS 72 Cb 0.60 -0.84 0.28 0.00 1.12 0.00 0.00 29.99 31.15 1y4b n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1y4b h VAL 73 N 1.52 1.18 0.00 1.59 3.04 -0.81 -0.41 116.25 122.36 1y4b h VAL 73 Ca 0.46 -0.47 0.00 0.00 -1.01 0.00 0.00 66.70 65.68 1y4b h VAL 73 Cb 1.29 0.40 0.00 0.00 -2.01 0.00 0.00 31.29 30.97 1y4b h VAL 73 CO 1.08 0.20 0.00 0.47 -1.01 0.00 0.00 177.57 178.31 1y4b n ASP 74 N -4.38 0.00 -2.55 3.17 8.00 -1.26 -3.99 116.55 115.53 1y4b n ASP 74 Ca 0.05 -0.54 -0.02 0.00 0.71 0.00 0.00 54.79 55.00 1y4b n ASP 74 Cb 0.10 -0.15 0.05 0.00 -0.02 0.00 0.00 41.12 41.10 1y4b n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1y4b n ASP 75 N -1.15 1.83 -0.04 -2.24 2.03 -0.20 -4.98 116.55 111.81 1y4b n ASP 75 Ca 0.19 -2.22 -0.08 0.00 0.52 0.00 0.00 54.79 53.19 1y4b n ASP 75 Cb 0.17 -0.44 -0.02 0.00 -0.72 0.00 0.00 41.12 40.11 1y4b n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1y4b h MET 76 N 2.34 -0.05 -0.83 -0.67 2.86 -1.60 -2.15 114.93 114.83 1y4b h MET 76 Ca -0.10 0.00 0.17 0.00 -2.06 0.00 0.00 59.70 57.71 1y4b h MET 76 Cb 1.37 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.98 1y4b h MET 76 CO 0.22 -0.03 0.55 -1.35 1.06 0.00 0.00 176.91 177.36 1y4b h PRO 77 N -0.05 0.45 0.21 -0.22 0.11 -1.94 -0.02 132.00 130.54 1y4b h PRO 77 Ca 0.10 -0.03 -0.35 0.00 0.11 0.00 0.00 66.00 65.84 1y4b h PRO 77 Cb 0.21 -0.10 0.02 0.00 0.11 0.00 0.00 31.00 31.24 1y4b h PRO 77 CO -0.23 0.29 -1.67 -0.91 -0.21 0.00 0.00 178.00 175.28 1y4b h ASN 78 N 0.46 0.70 0.21 -2.05 4.21 -1.87 -2.85 115.58 114.39 1y4b h ASN 78 Ca 0.42 -0.93 -0.02 0.00 1.21 0.00 0.00 56.30 56.99 1y4b h ASN 78 Cb 0.95 -0.23 -0.00 0.00 -1.12 0.00 0.00 38.32 37.92 1y4b h ASN 78 CO -0.16 1.76 -0.08 0.00 -1.29 0.00 0.00 177.43 177.67 1y4b h ALA 79 N 0.13 1.42 -0.33 -0.83 0.00 -0.63 -2.92 119.26 116.10 1y4b h ALA 79 Ca -0.32 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1y4b h ALA 79 Cb 2.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.90 1y4b h ALA 79 CO 0.21 0.10 0.00 1.28 0.00 0.00 0.00 179.25 180.84 1y4b n LEU 80 N -3.80 3.13 -0.07 0.00 4.77 -0.12 -4.72 117.00 116.18 1y4b n LEU 80 Ca -0.02 -2.22 -0.10 0.00 -0.03 0.00 0.00 56.01 53.63 1y4b n LEU 80 Cb 0.18 -0.30 -0.04 0.00 -2.33 0.00 0.00 43.42 40.93 1y4b n LEU 80 CO 0.30 0.72 0.60 0.77 -1.33 0.00 0.00 177.39 178.44 1y4b h SER 81 N 1.96 -1.28 -0.56 -1.43 4.64 -1.29 0.58 113.55 116.17 1y4b h SER 81 Ca 0.00 0.19 0.10 0.00 -0.47 0.00 0.00 61.79 61.61 1y4b h SER 81 Cb 0.89 0.55 -0.08 0.00 -0.31 0.00 0.00 62.40 63.45 1y4b h SER 81 CO 0.05 -0.38 0.13 0.00 -0.87 0.00 0.00 176.83 175.76 1y4b h ALA 82 N 0.40 0.65 0.00 5.18 0.00 -1.85 0.19 119.26 123.84 1y4b h ALA 82 Ca 0.12 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 1y4b h ALA 82 Cb 0.58 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1y4b h ALA 82 CO -0.49 -0.29 -0.37 -0.07 0.00 0.00 0.00 179.25 178.03 1y4b h LEU 83 N 0.27 0.00 -0.44 0.00 3.38 -1.70 -1.30 115.31 115.51 1y4b h LEU 83 Ca 0.28 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.16 1y4b h LEU 83 Cb 0.40 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1y4b h LEU 83 CO -0.36 0.37 -0.08 -1.28 0.09 0.00 0.00 178.44 177.18 1y4b h SER 84 N 0.00 0.84 -0.43 -0.43 0.87 0.12 -1.52 113.55 113.00 1y4b h SER 84 Ca -0.00 -0.35 -0.12 0.00 -1.23 0.00 0.00 61.79 60.09 1y4b h SER 84 Cb 0.75 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 1y4b h SER 84 CO 0.05 1.00 -0.19 0.44 -0.53 0.00 0.00 176.83 177.60 1y4b h ASP 85 N 0.68 0.92 -0.21 6.23 3.32 -0.28 -2.55 116.42 124.52 1y4b h ASP 85 Ca 0.12 -0.40 0.03 0.00 0.02 0.00 0.00 57.03 56.80 1y4b h ASP 85 Cb 0.62 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 1y4b h ASP 85 CO 0.04 1.11 0.04 0.25 -1.72 0.00 0.00 179.24 178.95 1y4b h LEU 86 N 0.72 0.00 -0.98 1.55 5.85 -1.08 -0.77 115.31 120.61 1y4b h LEU 86 Ca 0.10 0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.76 1y4b h LEU 86 Cb 0.75 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 1y4b h LEU 86 CO 0.06 0.03 -0.30 0.45 -0.34 0.00 0.00 178.44 178.34 1y4b h HIS 87 N 0.12 0.42 0.13 1.25 3.86 -1.25 -1.95 115.15 117.73 1y4b h HIS 87 Ca 0.09 -0.09 -0.28 0.00 -1.16 0.00 0.00 60.37 58.93 1y4b h HIS 87 Cb 0.09 -0.10 0.01 0.00 1.06 0.00 0.00 27.41 28.47 1y4b h HIS 87 CO -0.15 0.64 -1.24 0.00 0.86 0.00 0.00 177.93 178.04 1y4b h ALA 88 N 1.36 0.09 -0.00 2.45 0.00 -1.00 0.13 119.26 122.28 1y4b h ALA 88 Ca 0.04 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1y4b h ALA 88 Cb 0.70 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1y4b h ALA 88 CO 0.05 0.91 -0.53 0.72 0.00 0.00 0.00 179.25 180.40 1y4b n HIS 89 N -3.59 0.00 0.04 0.00 8.25 -0.34 -4.56 115.22 115.02 1y4b n HIS 89 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 1y4b n HIS 89 Cb 1.01 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.12 1y4b n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1y4b n LYS 90 N -1.15 0.00 -0.11 -0.41 4.81 -0.91 -4.90 118.16 115.49 1y4b n LYS 90 Ca 0.03 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.34 1y4b n LYS 90 Cb 0.20 -0.22 -0.03 0.00 0.02 0.00 0.00 35.03 35.00 1y4b n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1y4b h LEU 91 N 0.00 0.76 -2.45 3.14 3.38 -1.51 -3.47 115.31 115.16 1y4b h LEU 91 Ca 0.00 -0.44 -0.43 0.00 0.09 0.00 0.00 57.88 57.10 1y4b h LEU 91 Cb 0.00 -0.21 0.06 0.00 0.09 0.00 0.00 40.66 40.59 1y4b h LEU 91 CO 0.00 1.03 -0.89 0.54 0.09 0.00 0.00 178.44 179.21 1y4b n ARG 92 N -4.29 -2.83 -2.67 1.13 1.74 0.46 -4.91 116.66 105.28 1y4b n ARG 92 Ca -0.03 0.52 -0.42 0.00 -0.77 0.00 0.00 57.85 57.16 1y4b n ARG 92 Cb 0.44 -4.65 -0.04 0.00 -1.02 0.00 0.00 32.46 27.19 1y4b n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1y4b s VAL 93 N -3.63 4.58 0.29 1.55 1.01 -1.26 -5.00 120.40 117.95 1y4b s VAL 93 Ca 0.23 1.97 -0.30 0.00 0.00 0.00 0.00 61.98 63.88 1y4b s VAL 93 Cb -0.07 -4.26 -0.11 0.00 0.00 0.00 0.00 36.38 31.93 1y4b s VAL 93 CO 0.84 0.22 1.61 -0.62 0.00 0.00 0.00 175.10 177.15 1y4b s ASP 94 N 0.58 6.36 0.55 3.32 -1.08 -1.26 -4.87 116.67 120.27 1y4b s ASP 94 Ca 0.51 2.95 0.29 0.00 -0.52 0.00 0.00 52.55 55.78 1y4b s ASP 94 Cb -0.23 -2.63 1.46 0.00 -1.46 0.00 0.00 42.92 40.06 1y4b s ASP 94 CO 0.29 -0.93 1.91 -0.65 0.52 0.00 0.00 175.17 176.32 1y4b h PRO 95 N 5.02 0.00 0.00 4.34 0.11 -2.00 -0.92 132.00 138.55 1y4b h PRO 95 Ca -0.47 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1y4b h PRO 95 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1y4b h PRO 95 CO 0.81 0.00 -0.03 0.28 -0.21 0.00 0.00 178.00 178.85 1y4b h VAL 96 N 0.00 0.37 0.00 3.15 2.07 -2.04 -2.47 116.25 117.34 1y4b h VAL 96 Ca 0.32 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.66 1y4b h VAL 96 Cb 1.40 1.12 -0.00 0.00 -1.52 0.00 0.00 31.29 32.29 1y4b h VAL 96 CO -0.00 0.03 -0.04 0.78 0.02 0.00 0.00 177.57 178.36 1y4b h ASN 97 N 0.00 0.00 0.15 0.57 4.21 -1.52 -2.93 115.58 116.06 1y4b h ASN 97 Ca -0.00 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.43 1y4b h ASN 97 Cb 0.12 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.31 1y4b h ASN 97 CO 0.00 0.04 -0.27 -0.26 -1.29 0.00 0.00 177.43 175.65 1y4b h PHE 98 N 0.00 0.22 -0.12 1.19 -1.00 -1.63 -1.88 116.94 113.72 1y4b h PHE 98 Ca -0.00 -0.04 -0.14 0.00 2.81 0.00 0.00 57.97 60.59 1y4b h PHE 98 Cb 0.74 -0.06 -0.01 0.00 3.61 0.00 0.00 35.95 40.23 1y4b h PHE 98 CO 0.00 0.46 -0.55 0.87 -1.61 0.00 0.00 178.31 177.49 1y4b h LYS 99 N 0.18 0.36 -0.22 1.51 1.57 -1.69 -1.74 116.57 116.54 1y4b h LYS 99 Ca 0.03 -0.23 -0.07 0.00 -1.87 0.00 0.00 60.65 58.52 1y4b h LYS 99 Cb 0.58 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 1y4b h LYS 99 CO 0.04 0.82 -0.12 -0.07 -0.57 0.00 0.00 179.45 179.55 1y4b h LEU 100 N 0.28 0.49 -0.46 2.94 3.38 -1.41 -2.21 115.31 118.31 1y4b h LEU 100 Ca 0.00 -0.42 -0.03 0.00 0.09 0.00 0.00 57.88 57.52 1y4b h LEU 100 Cb 1.05 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 1y4b h LEU 100 CO 0.09 0.80 0.17 0.25 0.09 0.00 0.00 178.44 179.84 1y4b h LEU 101 N 0.18 0.66 -0.20 1.67 5.85 -1.36 -2.66 115.31 119.44 1y4b h LEU 101 Ca 0.05 -0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.63 1y4b h LEU 101 Cb 0.62 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 1y4b h LEU 101 CO 0.03 0.66 -0.05 0.28 -0.34 0.00 0.00 178.44 179.02 1y4b h SER 102 N 0.61 -0.20 -0.68 1.25 0.02 -1.28 0.32 113.55 113.59 1y4b h SER 102 Ca 0.15 0.06 0.09 0.00 -0.84 0.00 0.00 61.79 61.25 1y4b h SER 102 Cb 0.22 0.13 -0.07 0.00 0.14 0.00 0.00 62.40 62.82 1y4b h SER 102 CO -0.01 -0.07 0.33 -0.74 -1.14 0.00 0.00 176.83 175.20 1y4b h HIS 103 N -0.01 0.60 -0.14 3.45 -0.00 -1.27 -1.10 115.15 116.67 1y4b h HIS 103 Ca 0.10 0.03 -0.06 0.00 -0.00 0.00 0.00 60.37 60.43 1y4b h HIS 103 Cb 0.15 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 27.39 1y4b h HIS 103 CO -0.22 0.22 -0.20 0.00 -0.00 0.00 0.00 177.93 177.73 1y4b h LEU 105 N 0.23 0.79 -0.38 0.00 -0.00 -0.13 -0.99 115.31 114.83 1y4b h LEU 105 Ca 0.04 -0.35 -0.07 0.00 -0.00 0.00 0.00 57.88 57.51 1y4b h LEU 105 Cb 0.49 -0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 40.92 1y4b h LEU 105 CO 0.03 1.08 -0.02 -0.07 -0.00 0.00 0.00 178.44 179.46 1y4b h LEU 106 N 0.62 0.67 -0.58 1.67 3.38 -0.53 -0.98 115.31 119.56 1y4b h LEU 106 Ca 0.06 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 1y4b h LEU 106 Cb 0.92 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 1y4b h LEU 106 CO 0.08 0.83 0.28 0.58 0.09 0.00 0.00 178.44 180.31 1y4b h VAL 107 N 0.49 1.21 -0.32 1.22 2.07 -0.75 -1.12 116.25 119.05 1y4b h VAL 107 Ca 0.10 -0.57 0.03 0.00 0.82 0.00 0.00 66.70 67.08 1y4b h VAL 107 Cb 0.50 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 1y4b h VAL 107 CO 0.02 0.23 0.12 0.74 0.02 0.00 0.00 177.57 178.71 1y4b h THR 108 N 0.79 0.93 -0.42 2.57 2.02 -0.90 -1.61 112.91 116.29 1y4b h THR 108 Ca 0.20 -0.09 -0.03 0.00 0.77 0.00 0.00 66.41 67.26 1y4b h THR 108 Cb 0.11 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 1y4b h THR 108 CO -0.03 0.05 0.13 -0.07 0.37 0.00 0.00 175.52 175.98 1y4b h LEU 109 N 0.27 0.62 -0.69 2.58 3.38 -0.83 -2.37 115.31 118.25 1y4b h LEU 109 Ca 0.14 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.92 1y4b h LEU 109 Cb 0.10 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 1y4b h LEU 109 CO -0.13 0.66 0.45 0.00 0.09 0.00 0.00 178.44 179.51 1y4b h ALA 110 N 0.98 0.89 0.00 1.53 0.00 -1.04 0.31 119.26 121.92 1y4b h ALA 110 Ca 0.14 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1y4b h ALA 110 Cb 0.26 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1y4b h ALA 110 CO -0.00 0.28 -0.31 0.00 0.00 0.00 0.00 179.25 179.22 1y4b h ALA 111 N 1.26 1.36 0.00 0.00 0.00 -1.03 -3.19 119.26 117.66 1y4b h ALA 111 Ca 0.26 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1y4b h ALA 111 Cb -0.08 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1y4b h ALA 111 CO -0.07 0.38 -1.91 0.72 0.00 0.00 0.00 179.25 178.38 1y4b n HIS 112 N -3.98 0.00 -3.08 0.00 -0.00 -0.92 -4.73 115.22 102.52 1y4b n HIS 112 Ca -0.02 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.47 1y4b n HIS 112 Cb 0.37 -0.45 -0.04 0.00 -0.00 0.00 0.00 29.99 29.87 1y4b n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1y4b n LEU 113 N -2.19 2.70 0.08 2.41 4.77 0.11 -4.97 117.00 119.90 1y4b n LEU 113 Ca -0.03 -5.34 -0.12 0.00 -0.03 0.00 0.00 56.01 50.48 1y4b n LEU 113 Cb 0.54 0.03 -0.07 0.00 -2.33 0.00 0.00 43.42 41.59 1y4b n LEU 113 CO 0.44 2.30 0.51 -0.65 -1.33 0.00 0.00 177.39 178.66 1y4b h PRO 114 N 3.10 -0.53 -0.85 3.23 0.11 -1.79 -1.97 132.00 133.29 1y4b h PRO 114 Ca 0.12 0.04 0.08 0.00 0.11 0.00 0.00 66.00 66.35 1y4b h PRO 114 Cb 0.73 0.12 -0.06 0.00 0.11 0.00 0.00 31.00 31.90 1y4b h PRO 114 CO 0.67 -0.35 0.55 0.00 -0.21 0.00 0.00 178.00 178.66 1y4b h ALA 115 N -0.79 1.63 0.00 -0.75 0.00 -1.93 -1.38 119.26 116.04 1y4b h ALA 115 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1y4b h ALA 115 Cb 0.56 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1y4b h ALA 115 CO -0.22 0.22 0.00 0.93 0.00 0.00 0.00 179.25 180.18 1y4b h GLU 116 N 0.88 0.00 -2.78 0.00 3.07 -1.84 -3.38 114.58 110.53 1y4b h GLU 116 Ca 0.38 0.00 -0.74 0.00 -0.50 0.00 0.00 59.36 58.50 1y4b h GLU 116 Cb 0.32 0.00 -0.13 0.00 -0.84 0.00 0.00 28.75 28.11 1y4b h GLU 116 CO -0.15 0.00 2.36 0.34 -1.40 0.00 0.00 179.01 180.17 1y4b n PHE 117 N -2.48 2.65 -1.65 4.33 7.35 -0.52 -4.85 117.46 122.28 1y4b n PHE 117 Ca 0.05 -2.82 -0.31 0.00 -0.76 0.00 0.00 57.45 53.61 1y4b n PHE 117 Cb 0.46 -1.86 0.04 0.00 0.35 0.00 0.00 39.48 38.47 1y4b n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1y4b s THR 118 N -0.84 4.16 0.27 -2.13 -4.23 -1.26 -4.75 115.64 106.86 1y4b s THR 118 Ca 0.52 0.70 0.01 0.00 -1.18 0.00 0.00 61.69 61.74 1y4b s THR 118 Cb 0.17 -3.51 0.26 0.00 1.34 0.00 0.00 72.50 70.76 1y4b s THR 118 CO -0.08 -0.92 1.72 -0.65 -0.54 0.00 0.00 174.62 174.15 1y4b h PRO 119 N -0.63 0.44 -0.38 3.99 0.11 -1.98 0.73 132.00 134.28 1y4b h PRO 119 Ca -0.44 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.52 1y4b h PRO 119 Cb 1.21 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1y4b h PRO 119 CO 0.58 0.29 -0.25 0.00 -0.21 0.00 0.00 178.00 178.41 1y4b h ALA 120 N 1.64 0.83 -0.34 -0.75 0.00 -1.98 -0.90 119.26 117.76 1y4b h ALA 120 Ca 0.50 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1y4b h ALA 120 Cb 0.87 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1y4b h ALA 120 CO -0.47 0.64 -0.22 0.28 0.00 0.00 0.00 179.25 179.49 1y4b h VAL 121 N 0.68 1.29 -0.62 0.00 2.07 -1.55 -1.19 116.25 116.93 1y4b h VAL 121 Ca 0.09 -1.35 0.06 0.00 0.82 0.00 0.00 66.70 66.31 1y4b h VAL 121 Cb 0.78 1.42 -0.05 0.00 -1.52 0.00 0.00 31.29 31.91 1y4b h VAL 121 CO 0.06 0.44 0.33 -0.74 0.02 0.00 0.00 177.57 177.68 1y4b h HIS 122 N 0.53 0.60 -0.14 1.57 6.17 -0.81 0.93 115.15 124.00 1y4b h HIS 122 Ca 0.07 0.02 0.02 0.00 0.71 0.00 0.00 60.37 61.19 1y4b h HIS 122 Cb 0.77 -0.18 -0.02 0.00 2.52 0.00 0.00 27.41 30.50 1y4b h HIS 122 CO 0.06 0.28 0.01 0.00 0.71 0.00 0.00 177.93 179.00 1y4b h ALA 123 N 1.33 0.13 -0.13 5.26 0.00 -0.98 -2.13 119.26 122.74 1y4b h ALA 123 Ca 0.28 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1y4b h ALA 123 Cb 0.18 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1y4b h ALA 123 CO -0.18 -0.44 0.06 0.77 0.00 0.00 0.00 179.25 179.46 1y4b h SER 124 N 0.07 0.18 -0.55 0.00 0.02 -0.32 -2.58 113.55 110.37 1y4b h SER 124 Ca 0.06 -0.16 0.01 0.00 -0.84 0.00 0.00 61.79 60.87 1y4b h SER 124 Cb 0.07 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 1y4b h SER 124 CO -0.10 0.29 0.36 -0.07 -1.14 0.00 0.00 176.83 176.17 1y4b h LEU 125 N 0.07 0.62 -0.78 5.07 3.38 -0.80 0.99 115.31 123.86 1y4b h LEU 125 Ca 0.04 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 1y4b h LEU 125 Cb 0.16 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1y4b h LEU 125 CO -0.00 0.45 -0.47 -0.78 0.09 0.00 0.00 178.44 177.72 1y4b h ASP 126 N 0.73 0.35 0.33 -0.43 3.58 -1.10 0.64 116.42 120.52 1y4b h ASP 126 Ca 0.20 -0.17 -0.24 0.00 0.42 0.00 0.00 57.03 57.25 1y4b h ASP 126 Cb -0.06 -0.10 0.01 0.00 1.72 0.00 0.00 39.33 40.89 1y4b h ASP 126 CO -0.05 0.77 -0.99 0.11 -2.88 0.00 0.00 179.24 176.21 1y4b h LYS 127 N 0.26 0.43 0.27 0.28 1.57 -1.05 -2.25 116.57 116.08 1y4b h LYS 127 Ca 0.02 -0.49 -0.01 0.00 -1.87 0.00 0.00 60.65 58.30 1y4b h LYS 127 Cb 0.93 0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.39 1y4b h LYS 127 CO 0.08 1.15 -0.13 0.35 -0.57 0.00 0.00 179.45 180.32 1y4b h PHE 128 N 0.23 -0.34 -0.52 -1.35 3.57 -0.53 -1.21 116.94 116.80 1y4b h PHE 128 Ca -0.09 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.52 1y4b h PHE 128 Cb 1.64 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 40.46 1y4b h PHE 128 CO 0.07 -0.10 0.36 -0.07 -2.23 0.00 0.00 178.31 176.34 1y4b h LEU 129 N -0.53 0.13 -0.61 0.59 3.38 -0.91 0.81 115.31 118.17 1y4b h LEU 129 Ca -0.04 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.79 1y4b h LEU 129 Cb 0.39 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1y4b h LEU 129 CO 0.06 0.07 -0.69 0.00 0.09 0.00 0.00 178.44 177.97 1y4b h ALA 130 N 1.74 0.84 -0.07 1.53 0.00 -0.94 -2.35 119.26 120.01 1y4b h ALA 130 Ca 0.25 -0.63 -0.23 0.00 0.00 0.00 0.00 54.91 54.30 1y4b h ALA 130 Cb 0.79 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.48 1y4b h ALA 130 CO -0.03 0.86 -0.87 0.77 0.00 0.00 0.00 179.25 179.98 1y4b h SER 131 N 0.01 0.76 -0.44 0.00 0.02 0.35 -0.23 113.55 114.02 1y4b h SER 131 Ca -0.01 -0.55 0.01 0.00 -0.84 0.00 0.00 61.79 60.41 1y4b h SER 131 Cb 1.23 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.52 1y4b h SER 131 CO 0.09 1.33 0.28 0.58 -1.14 0.00 0.00 176.83 177.97 1y4b h VAL 132 N 0.39 1.08 -0.26 2.27 2.07 -1.29 0.16 116.25 120.67 1y4b h VAL 132 Ca -0.07 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 1y4b h VAL 132 Cb 1.49 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1y4b h VAL 132 CO 0.16 0.10 0.14 0.28 0.02 0.00 0.00 177.57 178.28 1y4b h SER 133 N 0.56 0.33 -0.31 0.57 0.02 -1.33 0.14 113.55 113.53 1y4b h SER 133 Ca 0.17 -0.09 0.06 0.00 -0.84 0.00 0.00 61.79 61.09 1y4b h SER 133 Cb -0.03 -0.08 -0.06 0.00 0.14 0.00 0.00 62.40 62.37 1y4b h SER 133 CO -0.06 0.33 -0.09 0.74 -1.14 0.00 0.00 176.83 176.61 1y4b h THR 134 N 0.31 0.66 -0.84 -2.27 2.02 -0.57 -1.59 112.91 110.63 1y4b h THR 134 Ca 0.09 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.33 1y4b h THR 134 Cb 0.07 0.66 -0.06 0.00 -1.74 0.00 0.00 68.15 67.08 1y4b h THR 134 CO -0.01 0.00 0.52 0.58 0.37 0.00 0.00 175.52 176.98 1y4b h VAL 135 N -0.02 1.06 0.00 3.16 2.07 -0.13 -1.75 116.25 120.64 1y4b h VAL 135 Ca 0.15 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.34 1y4b h VAL 135 Cb 0.25 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.03 1y4b h VAL 135 CO -0.33 0.18 0.00 0.18 0.02 0.00 0.00 177.57 177.61 1y4b n LEU 136 N -4.62 0.61 -0.35 2.57 4.77 0.45 -2.99 117.00 117.45 1y4b n LEU 136 Ca 0.12 0.64 0.03 0.00 -0.03 0.00 0.00 56.01 56.77 1y4b n LEU 136 Cb 0.16 -0.54 0.07 0.00 -2.33 0.00 0.00 43.42 40.77 1y4b n LEU 136 CO 0.31 -0.49 0.48 0.35 -1.33 0.00 0.00 177.39 176.72 1y4b n THR 137 N -2.17 0.55 0.51 -5.08 -2.24 -0.74 -4.54 114.28 100.57 1y4b n THR 137 Ca 0.03 -0.77 0.11 0.00 -2.27 0.00 0.00 64.05 61.15 1y4b n THR 137 Cb 0.24 0.79 0.45 0.00 -2.10 0.00 0.00 70.33 69.72 1y4b n THR 137 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1y4b n SER 138 N 0.25 0.51 -0.74 3.42 3.41 -0.74 -2.88 113.62 116.85 1y4b n SER 138 Ca 0.06 0.60 0.08 0.00 -0.26 0.00 0.00 58.87 59.35 1y4b n SER 138 Cb 0.28 -0.72 0.23 0.00 -0.26 0.00 0.00 64.21 63.74 1y4b n SER 138 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1y4b n LYS 139 N -2.03 2.69 -0.10 4.33 5.02 -1.26 -4.71 118.16 122.10 1y4b n LYS 139 Ca 0.03 -2.72 0.04 0.00 -2.02 0.00 0.00 58.31 53.65 1y4b n LYS 139 Cb 0.26 -1.74 0.37 0.00 -0.02 0.00 0.00 35.03 33.91 1y4b n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1y4b h TYR 140 N 1.54 0.67 0.00 2.13 -1.99 -1.86 -3.46 116.97 114.00 1y4b h TYR 140 Ca 0.00 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.75 1y4b h TYR 140 Cb 1.31 -0.23 0.00 0.00 2.00 0.00 0.00 36.73 39.81 1y4b h TYR 140 CO 0.40 0.41 0.00 2.89 -0.00 0.00 0.00 178.16 181.85