#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y4g s LEU 2 N 0.00 4.35 0.56 7.52 1.43 -1.26 -5.06 118.68 126.23 1y4g s LEU 2 Ca 0.00 1.66 -0.01 0.00 -1.03 0.00 0.00 54.13 54.75 1y4g s LEU 2 Cb 0.00 -3.57 0.03 0.00 0.03 0.00 0.00 46.19 42.68 1y4g s LEU 2 CO 0.00 -0.30 0.81 -0.94 0.23 0.00 0.00 176.35 176.15 1y4g s SER 3 N 1.03 5.36 0.22 2.29 1.04 -1.26 -4.90 113.70 117.48 1y4g s SER 3 Ca 0.52 0.24 -0.08 0.00 0.48 0.00 0.00 55.95 57.11 1y4g s SER 3 Cb -0.21 -1.18 0.31 0.00 0.10 0.00 0.00 66.02 65.03 1y4g s SER 3 CO 0.27 -1.12 1.76 -0.65 0.98 0.00 0.00 173.24 174.48 1y4g h PRO 4 N -0.01 0.49 -0.57 4.02 0.11 -1.99 -0.83 132.00 133.21 1y4g h PRO 4 Ca -0.44 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 1y4g h PRO 4 Cb 1.28 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 1y4g h PRO 4 CO 0.56 0.32 0.13 0.00 -0.21 0.00 0.00 178.00 178.81 1y4g h ALA 5 N 1.42 1.16 0.54 -0.75 0.00 -1.98 0.14 119.26 119.79 1y4g h ALA 5 Ca 0.33 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1y4g h ALA 5 Cb 0.37 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.94 1y4g h ALA 5 CO -0.29 0.57 -0.26 -0.44 0.00 0.00 0.00 179.25 178.83 1y4g h ASP 6 N 0.85 -0.61 -0.96 0.00 3.32 -1.59 0.16 116.42 117.58 1y4g h ASP 6 Ca 0.18 0.01 0.17 0.00 0.02 0.00 0.00 57.03 57.42 1y4g h ASP 6 Cb 0.31 0.16 -0.09 0.00 0.22 0.00 0.00 39.33 39.94 1y4g h ASP 6 CO -0.00 -0.42 0.61 0.11 -1.72 0.00 0.00 179.24 177.81 1y4g h LYS 7 N -0.74 0.70 -0.18 3.56 1.57 -0.76 0.16 116.57 120.88 1y4g h LYS 7 Ca -0.07 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.62 1y4g h LYS 7 Cb 0.56 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1y4g h LYS 7 CO 0.12 0.46 -0.07 1.15 -0.57 0.00 0.00 179.45 180.54 1y4g h THR 8 N 0.72 1.30 -0.49 -0.16 2.02 -0.68 -0.90 112.91 114.72 1y4g h THR 8 Ca 0.51 -1.09 -0.00 0.00 0.77 0.00 0.00 66.41 66.60 1y4g h THR 8 Cb 0.84 1.63 -0.02 0.00 -1.74 0.00 0.00 68.15 68.86 1y4g h THR 8 CO -0.28 0.33 0.30 0.78 0.37 0.00 0.00 175.52 177.02 1y4g h ASN 9 N 0.07 0.58 -0.17 4.18 2.35 0.17 -2.33 115.58 120.43 1y4g h ASN 9 Ca 0.04 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1y4g h ASN 9 Cb 0.53 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 1y4g h ASN 9 CO 0.02 0.46 0.05 0.58 -1.65 0.00 0.00 177.43 176.89 1y4g h VAL 10 N 0.65 1.19 -0.92 2.81 2.07 -0.74 -1.14 116.25 120.17 1y4g h VAL 10 Ca 0.18 -0.61 0.09 0.00 0.82 0.00 0.00 66.70 67.17 1y4g h VAL 10 Cb -0.02 1.27 -0.07 0.00 -1.52 0.00 0.00 31.29 30.95 1y4g h VAL 10 CO -0.03 0.19 0.57 0.11 0.02 0.00 0.00 177.57 178.42 1y4g h LYS 11 N 0.10 0.95 0.01 1.57 1.57 -1.04 -0.66 116.57 119.06 1y4g h LYS 11 Ca 0.06 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1y4g h LYS 11 Cb 0.24 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1y4g h LYS 11 CO -0.00 0.63 -0.00 0.00 -0.57 0.00 0.00 179.45 179.51 1y4g h ALA 12 N 1.47 -0.01 -0.18 3.86 0.00 -1.22 -1.43 119.26 121.74 1y4g h ALA 12 Ca 0.43 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 55.15 1y4g h ALA 12 Cb 0.31 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1y4g h ALA 12 CO -0.22 -0.29 0.06 0.00 0.00 0.00 0.00 179.25 178.79 1y4g h ALA 13 N 0.56 0.20 -0.32 0.00 0.00 -0.93 -2.15 119.26 116.62 1y4g h ALA 13 Ca -0.00 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1y4g h ALA 13 Cb 0.42 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1y4g h ALA 13 CO 0.00 -0.38 -0.05 2.35 0.00 0.00 0.00 179.25 181.18 1y4g h TRP 14 N 0.14 0.55 -0.64 0.00 2.91 -1.18 -1.71 115.95 116.01 1y4g h TRP 14 Ca 0.08 -0.07 0.10 0.00 1.13 0.00 0.00 58.89 60.13 1y4g h TRP 14 Cb 0.05 -0.15 -0.07 0.00 -0.51 0.00 0.00 29.16 28.48 1y4g h TRP 14 CO -0.12 0.57 0.26 0.78 -1.03 0.00 0.00 178.44 178.91 1y4g h GLY 15 N 0.87 0.93 2.00 2.65 0.00 -0.63 -0.93 103.07 107.96 1y4g h GLY 15 Ca 0.10 -0.15 -0.04 0.00 0.00 0.00 0.00 47.33 47.25 1y4g h GLY 15 CO 0.02 -0.01 -0.18 0.50 0.00 0.00 0.00 176.54 176.87 1y4g h LYS 16 N 0.46 0.00 0.03 4.80 1.79 -0.81 -2.49 116.57 120.35 1y4g h LYS 16 Ca 0.33 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.79 1y4g h LYS 16 Cb 0.40 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 1y4g h LYS 16 CO -0.30 0.18 -0.01 0.28 -1.08 0.00 0.00 179.45 178.51 1y4g h VAL 17 N 0.00 1.05 0.00 0.50 2.07 -0.89 -3.45 116.25 115.52 1y4g h VAL 17 Ca -0.00 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1y4g h VAL 17 Cb 0.61 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1y4g h VAL 17 CO 0.02 0.06 0.00 0.61 0.02 0.00 0.00 177.57 178.29 1y4g n GLY 18 N -0.82 3.24 0.00 2.17 0.00 -0.94 -0.83 105.19 108.00 1y4g n GLY 18 Ca -0.08 0.15 0.11 0.00 0.00 0.00 0.00 46.02 46.21 1y4g n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y4g n ALA 19 N 10.93 2.25 1.01 4.61 0.00 -1.26 -2.52 120.51 135.53 1y4g n ALA 19 Ca 0.00 -0.12 0.11 0.00 0.00 0.00 0.00 53.44 53.42 1y4g n ALA 19 Cb 0.00 -1.37 0.33 0.00 0.00 0.00 0.00 19.45 18.41 1y4g n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1y4g n HIS 20 N -1.16 0.28 -0.04 0.00 8.25 -0.01 -4.45 115.22 118.09 1y4g n HIS 20 Ca 0.14 -0.14 -0.09 0.00 -0.26 0.00 0.00 57.72 57.37 1y4g n HIS 20 Cb 0.13 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.22 1y4g n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1y4g h ALA 21 N 4.14 -0.17 -0.54 -1.41 0.00 -1.61 -1.39 119.26 118.28 1y4g h ALA 21 Ca 0.00 0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.07 1y4g h ALA 21 Cb 0.60 0.51 -0.07 0.00 0.00 0.00 0.00 17.79 18.83 1y4g h ALA 21 CO 0.00 -0.69 0.13 0.78 0.00 0.00 0.00 179.25 179.47 1y4g h GLY 22 N -0.27 0.69 0.97 0.00 0.00 -1.85 -0.64 103.07 101.97 1y4g h GLY 22 Ca 0.13 -0.04 -0.06 0.00 0.00 0.00 0.00 47.33 47.35 1y4g h GLY 22 CO -0.38 -0.07 0.04 0.83 0.00 0.00 0.00 176.54 176.96 1y4g h GLU 23 N 0.27 0.77 -0.32 4.80 5.08 -1.74 -2.57 114.58 120.87 1y4g h GLU 23 Ca 0.28 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1y4g h GLU 23 Cb 0.38 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1y4g h GLU 23 CO -0.34 0.81 0.13 1.88 -1.00 0.00 0.00 179.01 180.48 1y4g h TYR 24 N 0.62 0.48 -0.88 4.33 -1.99 -0.76 -0.89 116.97 117.89 1y4g h TYR 24 Ca 0.13 -0.04 0.10 0.00 2.00 0.00 0.00 58.73 60.92 1y4g h TYR 24 Cb 0.44 -0.14 -0.08 0.00 2.00 0.00 0.00 36.73 38.95 1y4g h TYR 24 CO 0.03 0.46 0.52 0.78 -0.00 0.00 0.00 178.16 179.96 1y4g h GLY 25 N 0.36 1.39 0.99 3.88 0.00 -1.11 0.17 103.07 108.75 1y4g h GLY 25 Ca 0.11 -0.35 -0.08 0.00 0.00 0.00 0.00 47.33 47.00 1y4g h GLY 25 CO -0.01 0.15 -0.05 0.00 0.00 0.00 0.00 176.54 176.63 1y4g h ALA 26 N 1.47 0.59 -0.75 3.60 0.00 -1.23 -2.25 119.26 120.70 1y4g h ALA 26 Ca 0.42 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1y4g h ALA 26 Cb 0.38 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1y4g h ALA 26 CO -0.25 0.43 0.27 1.49 0.00 0.00 0.00 179.25 181.20 1y4g h GLU 27 N 0.64 1.13 -0.45 0.00 4.81 -0.07 -1.49 114.58 119.16 1y4g h GLU 27 Ca 0.12 -0.22 -0.09 0.00 -0.13 0.00 0.00 59.36 59.03 1y4g h GLU 27 Cb 0.57 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 1y4g h GLU 27 CO 0.03 0.94 -0.10 0.00 -0.73 0.00 0.00 179.01 179.15 1y4g h ALA 28 N 1.19 0.98 -0.29 2.92 0.00 -0.58 0.15 119.26 123.63 1y4g h ALA 28 Ca 0.25 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1y4g h ALA 28 Cb 0.25 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1y4g h ALA 28 CO -0.01 0.61 0.08 -0.07 0.00 0.00 0.00 179.25 179.85 1y4g h LEU 29 N 0.73 0.43 -0.56 0.00 3.38 -1.14 -0.33 115.31 117.82 1y4g h LEU 29 Ca 0.12 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1y4g h LEU 29 Cb 0.59 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1y4g h LEU 29 CO 0.04 0.54 0.30 -0.08 0.09 0.00 0.00 178.44 179.32 1y4g h GLU 30 N 0.30 0.79 -0.44 1.13 4.81 -0.95 -1.21 114.58 119.01 1y4g h GLU 30 Ca 0.09 -0.10 0.05 0.00 -0.13 0.00 0.00 59.36 59.27 1y4g h GLU 30 Cb 0.27 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.46 1y4g h GLU 30 CO -0.00 0.62 0.19 0.00 -0.73 0.00 0.00 179.01 179.09 1y4g h ARG 31 N 0.76 0.37 -0.12 1.92 3.08 -0.48 -2.62 114.38 117.28 1y4g h ARG 31 Ca 0.20 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.25 1y4g h ARG 31 Cb 0.07 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 1y4g h ARG 31 CO -0.03 0.24 -0.02 1.98 -1.07 0.00 0.00 179.97 181.08 1y4g h MET 32 N 0.38 0.02 -0.42 0.04 4.05 -0.57 -0.52 114.93 117.90 1y4g h MET 32 Ca 0.20 -0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.60 1y4g h MET 32 Cb 0.15 -0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.93 1y4g h MET 32 CO -0.17 0.01 0.17 0.74 0.23 0.00 0.00 176.91 177.89 1y4g h PHE 33 N 0.02 0.59 0.18 1.39 0.04 -1.15 0.59 116.94 118.60 1y4g h PHE 33 Ca 0.06 -0.02 -0.26 0.00 2.80 0.00 0.00 57.97 60.55 1y4g h PHE 33 Cb 0.08 -0.19 0.03 0.00 2.20 0.00 0.00 35.95 38.07 1y4g h PHE 33 CO -0.15 0.46 -1.16 -0.07 -0.60 0.00 0.00 178.31 176.80 1y4g h LEU 34 N 0.59 0.61 -0.09 1.54 3.38 -1.35 -3.20 115.31 116.79 1y4g h LEU 34 Ca 0.15 -0.93 -0.24 0.00 0.09 0.00 0.00 57.88 56.94 1y4g h LEU 34 Cb 0.12 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 40.68 1y4g h LEU 34 CO -0.01 1.55 -1.03 0.28 0.09 0.00 0.00 178.44 179.32 1y4g h SER 35 N -0.16 0.54 -2.37 -0.43 0.02 -0.91 -3.39 113.55 106.85 1y4g h SER 35 Ca -0.21 -0.46 -0.59 0.00 -0.84 0.00 0.00 61.79 59.69 1y4g h SER 35 Cb 1.87 -0.17 -0.40 0.00 0.14 0.00 0.00 62.40 63.84 1y4g h SER 35 CO 0.19 1.28 -0.82 0.49 -1.14 0.00 0.00 176.83 176.83 1y4g n PHE 36 N -3.71 1.36 0.25 3.45 3.72 0.20 -4.99 117.46 117.76 1y4g n PHE 36 Ca -0.08 -3.82 0.18 0.00 -0.05 0.00 0.00 57.45 53.68 1y4g n PHE 36 Cb 0.89 -0.32 0.89 0.00 -0.94 0.00 0.00 39.48 40.00 1y4g n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1y4g h PRO 37 N 4.72 0.00 0.00 -1.08 0.11 -1.71 -1.38 132.00 132.66 1y4g h PRO 37 Ca 0.17 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.26 1y4g h PRO 37 Cb 0.80 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.91 1y4g h PRO 37 CO 0.60 0.00 -0.06 1.79 -0.21 0.00 0.00 178.00 180.11 1y4g h THR 38 N 0.00 0.50 0.00 -1.15 1.35 -1.91 -0.63 112.91 111.07 1y4g h THR 38 Ca 0.06 -0.30 -0.00 0.00 -0.55 0.00 0.00 66.41 65.62 1y4g h THR 38 Cb 0.49 1.20 -0.00 0.00 -1.73 0.00 0.00 68.15 68.11 1y4g h THR 38 CO -0.00 0.06 -0.00 0.71 -0.25 0.00 0.00 175.52 176.04 1y4g h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.58 -2.57 112.91 116.93 1y4g h THR 39 Ca -0.00 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 1y4g h THR 39 Cb 0.19 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.80 1y4g h THR 39 CO 0.01 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.39 1y4g h LYS 40 N 0.00 0.00 -0.00 4.72 1.57 -1.30 -3.03 116.57 118.53 1y4g h LYS 40 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1y4g h LYS 40 Cb 0.19 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 1y4g h LYS 40 CO 0.00 0.00 0.02 1.79 -0.57 0.00 0.00 179.45 180.69 1y4g h THR 41 N 0.00 0.03 -0.01 -0.16 1.35 -1.64 -0.27 112.91 112.21 1y4g h THR 41 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1y4g h THR 41 Cb 0.33 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 67.73 1y4g h THR 41 CO 0.00 0.00 -0.28 -1.22 -0.25 0.00 0.00 175.52 173.77 1y4g n TYR 42 N -3.11 0.00 -2.52 4.73 4.01 -1.15 -4.24 117.16 114.88 1y4g n TYR 42 Ca -0.03 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.54 1y4g n TYR 42 Cb 0.09 -0.13 0.02 0.00 -0.31 0.00 0.00 39.34 39.01 1y4g n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1y4g n PHE 43 N -0.69 2.30 0.28 -0.72 3.01 -0.11 -4.86 117.46 116.66 1y4g n PHE 43 Ca 0.12 -2.78 0.16 0.00 1.01 0.00 0.00 57.45 55.95 1y4g n PHE 43 Cb 0.35 -0.23 0.74 0.00 -0.01 0.00 0.00 39.48 40.33 1y4g n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1y4g h PRO 44 N 2.68 0.00 -0.07 -1.08 0.13 -1.73 -2.08 132.00 129.85 1y4g h PRO 44 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1y4g h PRO 44 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1y4g h PRO 44 CO 0.64 0.07 0.00 -2.39 -0.23 0.00 0.00 178.00 176.09 1y4g n HIS 45 N -3.26 0.08 -3.92 1.56 1.44 -1.26 -4.89 115.22 104.98 1y4g n HIS 45 Ca -0.01 -0.04 -0.35 0.00 -2.01 0.00 0.00 57.72 55.32 1y4g n HIS 45 Cb 0.27 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.33 1y4g n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1y4g s PHE 46 N -1.92 3.54 -0.33 -1.40 0.40 -0.78 -5.04 117.98 112.46 1y4g s PHE 46 Ca 0.35 0.41 -0.29 0.00 -0.60 0.00 0.00 56.93 56.80 1y4g s PHE 46 Cb 0.18 -1.86 0.01 0.00 0.51 0.00 0.00 43.02 41.85 1y4g s PHE 46 CO 0.28 0.67 1.27 0.34 0.70 0.00 0.00 175.22 178.48 1y4g s ASP 47 N -1.57 6.68 0.00 1.36 -1.08 -1.26 -4.89 116.67 115.90 1y4g s ASP 47 Ca 0.22 1.10 0.23 0.00 -0.52 0.00 0.00 52.55 53.58 1y4g s ASP 47 Cb -0.12 -2.54 0.59 0.00 -1.46 0.00 0.00 42.92 39.39 1y4g s ASP 47 CO 0.13 -1.09 1.51 0.18 0.52 0.00 0.00 175.17 176.41 1y4g n LEU 48 N 7.63 3.84 -4.71 -1.34 4.77 -1.26 -4.49 117.00 121.45 1y4g n LEU 48 Ca 0.14 -1.85 -0.30 0.00 -0.03 0.00 0.00 56.01 53.97 1y4g n LEU 48 Cb 0.47 -0.43 0.14 0.00 -2.33 0.00 0.00 43.42 41.27 1y4g n LEU 48 CO 0.64 0.93 0.67 -0.94 -1.33 0.00 0.00 177.39 177.35 1y4g s SER 49 N -1.14 3.50 0.25 -1.43 1.04 -1.26 -4.91 113.70 109.74 1y4g s SER 49 Ca 0.47 1.71 -0.31 0.00 0.48 0.00 0.00 55.95 58.30 1y4g s SER 49 Cb 0.25 -2.35 -0.11 0.00 0.10 0.00 0.00 66.02 63.91 1y4g s SER 49 CO 0.33 -2.66 1.62 -2.28 0.98 0.00 0.00 173.24 171.23 1y4g s HIS 50 N -2.84 2.86 0.00 5.02 2.46 -1.26 -2.26 115.29 119.27 1y4g s HIS 50 Ca 0.64 0.65 0.00 0.00 0.47 0.00 0.00 55.06 56.81 1y4g s HIS 50 Cb -0.19 -4.05 0.00 0.00 -0.13 0.00 0.00 32.58 28.21 1y4g s HIS 50 CO 0.57 -3.71 0.00 0.41 -2.47 0.00 0.00 174.74 169.54 1y4g n GLY 51 N 2.94 0.51 3.65 1.59 0.00 -1.26 -4.98 105.19 107.63 1y4g n GLY 51 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 1y4g n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1y4g n SER 52 N -0.15 1.39 0.24 1.61 2.88 -0.96 -4.88 113.62 113.76 1y4g n SER 52 Ca 0.00 0.88 0.13 0.00 -1.33 0.00 0.00 58.87 58.55 1y4g n SER 52 Cb 0.07 -1.44 0.40 0.00 -0.75 0.00 0.00 64.21 62.49 1y4g n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1y4g h ALA 53 N 0.84 0.98 -0.15 -1.46 0.00 -1.91 -2.47 119.26 115.09 1y4g h ALA 53 Ca -0.49 -0.05 -0.22 0.00 0.00 0.00 0.00 54.91 54.15 1y4g h ALA 53 Cb 1.34 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.13 1y4g h ALA 53 CO 0.53 0.07 -0.78 1.96 0.00 0.00 0.00 179.25 181.04 1y4g h GLN 54 N 0.00 0.77 -0.47 0.00 4.20 -1.91 -1.77 115.11 115.93 1y4g h GLN 54 Ca -0.00 -0.63 -0.11 0.00 0.06 0.00 0.00 58.65 57.97 1y4g h GLN 54 Cb 0.80 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.70 1y4g h GLN 54 CO 0.01 1.24 -0.15 0.28 -0.67 0.00 0.00 178.83 179.53 1y4g h VAL 55 N 0.53 1.27 -0.23 -0.54 2.07 -1.77 -1.62 116.25 115.96 1y4g h VAL 55 Ca -0.05 -1.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.17 1y4g h VAL 55 Cb 1.40 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 32.29 1y4g h VAL 55 CO 0.16 0.45 0.12 0.11 0.02 0.00 0.00 177.57 178.42 1y4g h LYS 56 N 0.77 0.33 -0.64 1.57 1.57 -1.42 0.11 116.57 118.86 1y4g h LYS 56 Ca 0.11 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.78 1y4g h LYS 56 Cb 0.71 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.94 1y4g h LYS 56 CO 0.05 0.31 0.13 0.78 -0.57 0.00 0.00 179.45 180.16 1y4g h GLY 57 N 0.25 1.10 1.79 3.86 0.00 -1.26 -1.92 103.07 106.88 1y4g h GLY 57 Ca 0.08 -0.68 -0.16 0.00 0.00 0.00 0.00 47.33 46.57 1y4g h GLY 57 CO -0.01 0.64 -0.66 0.84 0.00 0.00 0.00 176.54 177.34 1y4g h HIS 58 N 0.97 0.28 -0.83 5.60 -0.00 -0.99 -2.36 115.15 117.81 1y4g h HIS 58 Ca 0.20 -0.12 0.01 0.00 -0.00 0.00 0.00 60.37 60.46 1y4g h HIS 58 Cb 0.37 -0.05 -0.04 0.00 -0.00 0.00 0.00 27.41 27.70 1y4g h HIS 58 CO 0.03 0.81 0.54 0.78 -0.00 0.00 0.00 177.93 180.09 1y4g h GLY 59 N 1.59 1.17 0.96 5.26 0.00 -0.36 -1.20 103.07 110.49 1y4g h GLY 59 Ca -0.01 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 46.86 1y4g h GLY 59 CO 0.10 0.44 0.17 1.70 0.00 0.00 0.00 176.54 178.95 1y4g h LYS 60 N 1.13 0.42 -0.63 4.80 3.64 -1.05 -1.64 116.57 123.24 1y4g h LYS 60 Ca 0.30 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 1y4g h LYS 60 Cb -0.11 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.59 1y4g h LYS 60 CO -0.06 0.36 0.40 0.87 -2.27 0.00 0.00 179.45 178.74 1y4g h LYS 61 N 0.37 0.84 -0.03 1.90 1.57 -0.98 0.01 116.57 120.25 1y4g h LYS 61 Ca 0.11 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1y4g h LYS 61 Cb 0.06 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.18 1y4g h LYS 61 CO -0.02 0.59 0.01 0.28 -0.57 0.00 0.00 179.45 179.74 1y4g h VAL 62 N 0.85 1.17 -0.63 0.50 2.07 -1.14 -1.75 116.25 117.32 1y4g h VAL 62 Ca 0.23 -0.50 0.08 0.00 0.82 0.00 0.00 66.70 67.33 1y4g h VAL 62 Cb -0.06 1.44 -0.07 0.00 -1.52 0.00 0.00 31.29 31.09 1y4g h VAL 62 CO -0.05 0.13 0.29 0.00 0.02 0.00 0.00 177.57 177.97 1y4g h ALA 63 N 0.81 0.84 -0.43 1.67 0.00 -1.10 -1.35 119.26 119.70 1y4g h ALA 63 Ca 0.01 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1y4g h ALA 63 Cb 0.21 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1y4g h ALA 63 CO -0.00 -0.11 -0.09 -0.44 0.00 0.00 0.00 179.25 178.61 1y4g h ASP 64 N 0.51 0.73 -0.02 0.00 3.32 -0.74 -0.67 116.42 119.55 1y4g h ASP 64 Ca 0.31 -0.21 -0.08 0.00 0.02 0.00 0.00 57.03 57.07 1y4g h ASP 64 Cb 0.33 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1y4g h ASP 64 CO -0.26 0.86 -0.21 0.00 -1.72 0.00 0.00 179.24 177.91 1y4g h ALA 65 N 1.21 1.24 -0.25 3.45 0.00 -0.59 -1.39 119.26 122.93 1y4g h ALA 65 Ca 0.12 -0.30 -0.15 0.00 0.00 0.00 0.00 54.91 54.58 1y4g h ALA 65 Cb 0.55 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1y4g h ALA 65 CO 0.03 0.50 -0.43 -0.07 0.00 0.00 0.00 179.25 179.28 1y4g h LEU 66 N 0.36 0.81 -0.79 0.00 3.38 -0.86 -1.16 115.31 117.05 1y4g h LEU 66 Ca 0.06 -0.53 0.08 0.00 0.09 0.00 0.00 57.88 57.58 1y4g h LEU 66 Cb 0.57 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 41.02 1y4g h LEU 66 CO 0.04 1.19 0.46 0.74 0.09 0.00 0.00 178.44 180.95 1y4g h THR 67 N 0.46 0.94 -0.20 0.22 2.02 -0.80 0.11 112.91 115.66 1y4g h THR 67 Ca 0.02 -0.27 -0.08 0.00 0.77 0.00 0.00 66.41 66.85 1y4g h THR 67 Cb 1.03 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 1y4g h THR 67 CO 0.10 0.14 -0.21 -1.13 0.37 0.00 0.00 175.52 174.79 1y4g h ASN 68 N 0.79 0.36 -0.25 4.18 -1.24 -1.05 -0.75 115.58 117.61 1y4g h ASN 68 Ca 0.37 -0.10 -0.14 0.00 0.71 0.00 0.00 56.30 57.14 1y4g h ASN 68 Cb 0.29 -0.10 -0.00 0.00 0.73 0.00 0.00 38.32 39.25 1y4g h ASN 68 CO -0.22 0.58 -0.38 0.00 -1.29 0.00 0.00 177.43 176.12 1y4g h ALA 69 N 1.45 0.39 -0.16 1.57 0.00 0.22 -1.51 119.26 121.22 1y4g h ALA 69 Ca 0.06 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1y4g h ALA 69 Cb 0.56 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1y4g h ALA 69 CO 0.04 0.47 0.10 0.28 0.00 0.00 0.00 179.25 180.14 1y4g h VAL 70 N 0.43 1.05 0.00 0.00 2.07 -0.45 0.49 116.25 119.84 1y4g h VAL 70 Ca 0.02 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 1y4g h VAL 70 Cb 0.97 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1y4g h VAL 70 CO 0.09 0.05 -0.03 0.00 0.02 0.00 0.00 177.57 177.70 1y4g h ALA 71 N 1.05 1.35 -0.45 1.67 0.00 -1.09 -2.58 119.26 119.22 1y4g h ALA 71 Ca 0.06 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.63 1y4g h ALA 71 Cb -0.01 -0.00 -0.22 0.00 0.00 0.00 0.00 17.79 17.55 1y4g h ALA 71 CO -0.01 0.03 -0.49 0.72 0.00 0.00 0.00 179.25 179.50 1y4g n HIS 72 N -3.63 1.57 -0.28 0.00 8.25 -0.58 -4.85 115.22 115.70 1y4g n HIS 72 Ca -0.03 -1.92 0.12 0.00 -0.26 0.00 0.00 57.72 55.62 1y4g n HIS 72 Cb 0.12 -0.40 0.36 0.00 1.12 0.00 0.00 29.99 31.19 1y4g n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1y4g h VAL 73 N 1.51 0.84 0.00 1.59 3.04 -0.51 0.03 116.25 122.75 1y4g h VAL 73 Ca 0.24 -0.25 0.00 0.00 -1.01 0.00 0.00 66.70 65.68 1y4g h VAL 73 Cb 1.34 0.05 0.00 0.00 -2.01 0.00 0.00 31.29 30.67 1y4g h VAL 73 CO 0.49 0.13 0.00 0.47 -1.01 0.00 0.00 177.57 177.65 1y4g n ASP 74 N -4.57 0.00 -2.68 3.17 8.00 -1.26 -3.89 116.55 115.31 1y4g n ASP 74 Ca 0.18 0.33 -0.08 0.00 0.71 0.00 0.00 54.79 55.92 1y4g n ASP 74 Cb 0.47 -0.43 0.06 0.00 -0.02 0.00 0.00 41.12 41.20 1y4g n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1y4g n ASP 75 N -1.43 0.35 -0.18 -2.24 2.03 -0.03 -4.99 116.55 110.06 1y4g n ASP 75 Ca 0.07 -2.61 -0.09 0.00 0.52 0.00 0.00 54.79 52.68 1y4g n ASP 75 Cb 0.22 -0.02 0.01 0.00 -0.72 0.00 0.00 41.12 40.61 1y4g n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1y4g h MET 76 N 2.65 0.91 -0.07 -0.67 2.86 -1.60 -2.68 114.93 116.33 1y4g h MET 76 Ca -0.16 -0.27 0.02 0.00 -2.06 0.00 0.00 59.70 57.22 1y4g h MET 76 Cb 1.22 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.79 1y4g h MET 76 CO 0.30 0.91 0.06 -1.35 1.06 0.00 0.00 176.91 177.89 1y4g h PRO 77 N 0.78 0.00 0.14 -0.22 0.11 -1.94 -0.35 132.00 130.52 1y4g h PRO 77 Ca 0.15 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.95 1y4g h PRO 77 Cb 0.49 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.60 1y4g h PRO 77 CO 0.02 0.00 -1.57 -0.91 -0.21 0.00 0.00 178.00 175.33 1y4g h ASN 78 N 0.00 0.46 0.57 -2.05 4.21 -1.91 -2.86 115.58 113.99 1y4g h ASN 78 Ca 0.03 -0.89 -0.03 0.00 1.21 0.00 0.00 56.30 56.62 1y4g h ASN 78 Cb 0.15 -0.15 -0.00 0.00 -1.12 0.00 0.00 38.32 37.19 1y4g h ASN 78 CO -0.00 1.70 -0.16 0.00 -1.29 0.00 0.00 177.43 177.68 1y4g h ALA 79 N 0.01 1.17 -0.42 -0.83 0.00 -1.19 -3.00 119.26 115.00 1y4g h ALA 79 Ca -0.33 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1y4g h ALA 79 Cb 1.89 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.65 1y4g h ALA 79 CO 0.10 0.20 0.00 1.28 0.00 0.00 0.00 179.25 180.82 1y4g n LEU 80 N -3.53 3.16 -0.18 0.00 4.77 -0.17 -4.75 117.00 116.31 1y4g n LEU 80 Ca -0.01 -2.02 -0.01 0.00 -0.03 0.00 0.00 56.01 53.94 1y4g n LEU 80 Cb 0.31 -0.29 0.08 0.00 -2.33 0.00 0.00 43.42 41.19 1y4g n LEU 80 CO 0.31 0.78 0.89 0.77 -1.33 0.00 0.00 177.39 178.81 1y4g h SER 81 N 2.48 -0.07 0.23 -1.43 4.64 -1.35 -1.15 113.55 116.90 1y4g h SER 81 Ca 0.00 0.11 -0.06 0.00 -0.47 0.00 0.00 61.79 61.37 1y4g h SER 81 Cb 0.80 0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 63.05 1y4g h SER 81 CO 0.01 -0.01 -0.27 0.00 -0.87 0.00 0.00 176.83 175.68 1y4g h ALA 82 N 1.45 1.47 0.00 5.18 0.00 -1.85 -1.41 119.26 124.09 1y4g h ALA 82 Ca 0.28 -0.27 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 1y4g h ALA 82 Cb 0.41 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1y4g h ALA 82 CO -0.39 0.39 -0.82 -0.07 0.00 0.00 0.00 179.25 178.36 1y4g h LEU 83 N 0.07 0.00 -0.25 0.00 3.38 -1.68 -0.92 115.31 115.91 1y4g h LEU 83 Ca 0.01 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1y4g h LEU 83 Cb 0.52 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1y4g h LEU 83 CO 0.04 0.82 -0.05 -1.28 0.09 0.00 0.00 178.44 178.06 1y4g h SER 84 N 0.00 0.47 -0.31 -0.43 0.87 -0.86 -1.06 113.55 112.24 1y4g h SER 84 Ca -0.01 -0.36 -0.02 0.00 -1.23 0.00 0.00 61.79 60.18 1y4g h SER 84 Cb 1.46 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 63.28 1y4g h SER 84 CO 0.11 0.72 0.13 0.44 -0.53 0.00 0.00 176.83 177.70 1y4g h ASP 85 N 0.22 0.42 -0.46 6.23 3.32 -1.22 -0.55 116.42 124.39 1y4g h ASP 85 Ca 0.06 -0.16 0.03 0.00 0.02 0.00 0.00 57.03 56.99 1y4g h ASP 85 Cb 0.51 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.91 1y4g h ASP 85 CO 0.02 0.46 0.25 0.25 -1.72 0.00 0.00 179.24 178.50 1y4g h LEU 86 N 0.36 0.38 -0.42 1.55 5.85 -1.01 -1.03 115.31 120.99 1y4g h LEU 86 Ca 0.10 0.02 -0.18 0.00 0.84 0.00 0.00 57.88 58.66 1y4g h LEU 86 Cb 0.17 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.13 1y4g h LEU 86 CO -0.01 0.27 -0.64 0.45 -0.34 0.00 0.00 178.44 178.16 1y4g h HIS 87 N 0.49 0.71 -0.04 1.25 3.86 -1.09 -1.65 115.15 118.68 1y4g h HIS 87 Ca 0.19 -0.28 -0.24 0.00 -1.16 0.00 0.00 60.37 58.88 1y4g h HIS 87 Cb 0.07 -0.12 0.01 0.00 1.06 0.00 0.00 27.41 28.43 1y4g h HIS 87 CO -0.09 1.04 -0.93 0.00 0.86 0.00 0.00 177.93 178.81 1y4g h ALA 88 N 0.89 0.29 0.00 2.45 0.00 -0.82 0.30 119.26 122.37 1y4g h ALA 88 Ca -0.01 -0.67 -0.04 0.00 0.00 0.00 0.00 54.91 54.18 1y4g h ALA 88 Cb 1.21 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1y4g h ALA 88 CO 0.12 0.74 -1.60 0.72 0.00 0.00 0.00 179.25 179.22 1y4g n HIS 89 N -3.83 0.00 -0.03 0.00 8.25 -0.41 -4.46 115.22 114.74 1y4g n HIS 89 Ca -0.08 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.33 1y4g n HIS 89 Cb 0.82 -0.34 -0.01 0.00 1.12 0.00 0.00 29.99 31.58 1y4g n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1y4g n LYS 90 N -2.03 0.25 -0.11 -0.41 4.81 -0.89 -4.79 118.16 114.99 1y4g n LYS 90 Ca -0.06 0.10 -0.13 0.00 -0.87 0.00 0.00 58.31 57.35 1y4g n LYS 90 Cb 0.43 -0.90 -0.03 0.00 0.02 0.00 0.00 35.03 34.56 1y4g n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1y4g h LEU 91 N -0.48 0.93 -2.36 3.14 3.38 -1.43 -3.48 115.31 115.01 1y4g h LEU 91 Ca 0.00 -0.46 -0.41 0.00 0.09 0.00 0.00 57.88 57.10 1y4g h LEU 91 Cb 0.48 -0.26 0.07 0.00 0.09 0.00 0.00 40.66 41.04 1y4g h LEU 91 CO 0.00 1.20 -0.88 0.54 0.09 0.00 0.00 178.44 179.39 1y4g n ARG 92 N -4.13 -3.15 -2.72 1.13 1.74 0.10 -4.92 116.66 104.71 1y4g n ARG 92 Ca -0.03 0.57 -0.42 0.00 -0.77 0.00 0.00 57.85 57.21 1y4g n ARG 92 Cb 0.52 -4.84 -0.03 0.00 -1.02 0.00 0.00 32.46 27.09 1y4g n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1y4g s VAL 93 N -3.60 4.87 0.22 1.55 1.01 -1.25 -4.99 120.40 118.21 1y4g s VAL 93 Ca 0.22 2.03 -0.31 0.00 0.00 0.00 0.00 61.98 63.92 1y4g s VAL 93 Cb -0.06 -4.31 -0.11 0.00 0.00 0.00 0.00 36.38 31.90 1y4g s VAL 93 CO 0.83 0.14 1.60 -0.62 0.00 0.00 0.00 175.10 177.05 1y4g s ASP 94 N 1.01 6.48 0.42 3.32 -1.08 -1.26 -4.88 116.67 120.69 1y4g s ASP 94 Ca 0.51 2.78 0.21 0.00 -0.52 0.00 0.00 52.55 55.53 1y4g s ASP 94 Cb -0.20 -2.61 1.17 0.00 -1.46 0.00 0.00 42.92 39.81 1y4g s ASP 94 CO 0.26 -0.87 1.78 -0.65 0.52 0.00 0.00 175.17 176.21 1y4g h PRO 95 N 6.00 0.32 -0.43 4.34 0.11 -1.99 -1.21 132.00 139.13 1y4g h PRO 95 Ca -0.44 -0.02 0.13 0.00 0.11 0.00 0.00 66.00 65.77 1y4g h PRO 95 Cb 1.21 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1y4g h PRO 95 CO 0.87 0.21 0.39 0.28 -0.21 0.00 0.00 178.00 179.55 1y4g h VAL 96 N 0.33 0.52 0.00 3.15 2.07 -2.03 -1.35 116.25 118.95 1y4g h VAL 96 Ca 0.59 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 68.03 1y4g h VAL 96 Cb 1.60 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.07 1y4g h VAL 96 CO -0.25 0.00 -0.34 0.78 0.02 0.00 0.00 177.57 177.77 1y4g h ASN 97 N 0.00 0.00 -0.37 0.57 4.21 -1.58 -2.80 115.58 115.61 1y4g h ASN 97 Ca 0.21 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.67 1y4g h ASN 97 Cb 0.99 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.17 1y4g h ASN 97 CO -0.00 0.34 0.07 -0.26 -1.29 0.00 0.00 177.43 176.29 1y4g h PHE 98 N 0.00 0.71 -0.14 1.19 -1.00 -1.41 -1.69 116.94 114.60 1y4g h PHE 98 Ca -0.00 -0.07 -0.06 0.00 2.81 0.00 0.00 57.97 60.65 1y4g h PHE 98 Cb 0.93 -0.21 -0.01 0.00 3.61 0.00 0.00 35.95 40.27 1y4g h PHE 98 CO 0.00 0.63 -0.18 0.87 -1.61 0.00 0.00 178.31 178.02 1y4g h LYS 99 N 0.66 0.23 -0.23 1.51 1.57 -1.61 -1.66 116.57 117.05 1y4g h LYS 99 Ca 0.14 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.72 1y4g h LYS 99 Cb 0.31 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1y4g h LYS 99 CO 0.00 0.41 -0.41 -0.07 -0.57 0.00 0.00 179.45 178.82 1y4g h LEU 100 N 0.22 0.75 -0.40 2.94 3.38 -1.35 -2.29 115.31 118.55 1y4g h LEU 100 Ca 0.04 -0.54 -0.15 0.00 0.09 0.00 0.00 57.88 57.33 1y4g h LEU 100 Cb 0.45 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1y4g h LEU 100 CO 0.03 1.14 -0.33 0.25 0.09 0.00 0.00 178.44 179.62 1y4g h LEU 101 N 0.38 0.98 0.02 1.67 5.85 -1.28 -2.48 115.31 120.45 1y4g h LEU 101 Ca 0.01 -0.45 0.03 0.00 0.84 0.00 0.00 57.88 58.32 1y4g h LEU 101 Cb 1.00 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.71 1y4g h LEU 101 CO 0.09 1.22 -0.30 0.28 -0.34 0.00 0.00 178.44 179.39 1y4g h SER 102 N 0.75 -0.88 -0.43 1.25 0.02 -1.28 -0.80 113.55 112.17 1y4g h SER 102 Ca 0.07 0.11 0.09 0.00 -0.84 0.00 0.00 61.79 61.22 1y4g h SER 102 Cb 0.92 0.35 -0.08 0.00 0.14 0.00 0.00 62.40 63.72 1y4g h SER 102 CO 0.08 -0.37 -0.13 -0.74 -1.14 0.00 0.00 176.83 174.54 1y4g h HIS 103 N -0.46 -0.29 -0.55 3.45 -0.00 -1.40 -1.21 115.15 114.69 1y4g h HIS 103 Ca 0.06 0.04 0.01 0.00 -0.00 0.00 0.00 60.37 60.48 1y4g h HIS 103 Cb 0.54 0.20 -0.03 0.00 -0.00 0.00 0.00 27.41 28.11 1y4g h HIS 103 CO -0.31 -0.21 0.37 0.00 -0.00 0.00 0.00 177.93 177.77 1y4g h LEU 105 N 0.73 0.99 -0.15 0.00 -0.00 -0.70 -0.98 115.31 115.19 1y4g h LEU 105 Ca 0.21 -0.41 -0.00 0.00 -0.00 0.00 0.00 57.88 57.67 1y4g h LEU 105 Cb -0.05 -0.27 -0.01 0.00 -0.00 0.00 0.00 40.66 40.33 1y4g h LEU 105 CO -0.05 1.18 0.09 -0.07 -0.00 0.00 0.00 178.44 179.59 1y4g h LEU 106 N 0.79 0.19 -0.85 1.67 3.38 -0.10 -1.23 115.31 119.16 1y4g h LEU 106 Ca 0.10 -0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.05 1y4g h LEU 106 Cb 0.82 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.47 1y4g h LEU 106 CO 0.07 0.21 0.53 0.58 0.09 0.00 0.00 178.44 179.92 1y4g h VAL 107 N 0.16 1.05 -0.05 1.22 2.07 -0.85 0.24 116.25 120.07 1y4g h VAL 107 Ca 0.05 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 1y4g h VAL 107 Cb 0.06 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 29.82 1y4g h VAL 107 CO -0.01 0.18 0.03 0.74 0.02 0.00 0.00 177.57 178.53 1y4g h THR 108 N 0.97 1.08 -0.53 2.57 2.02 -1.02 -0.73 112.91 117.26 1y4g h THR 108 Ca 0.37 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 67.33 1y4g h THR 108 Cb 0.16 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 67.66 1y4g h THR 108 CO -0.17 0.06 0.31 -0.07 0.37 0.00 0.00 175.52 176.02 1y4g h LEU 109 N -0.00 0.65 -1.43 2.58 3.38 -0.60 -1.34 115.31 118.55 1y4g h LEU 109 Ca 0.02 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1y4g h LEU 109 Cb 0.08 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1y4g h LEU 109 CO -0.00 0.54 0.32 0.00 0.09 0.00 0.00 178.44 179.38 1y4g h ALA 110 N 1.14 1.57 -0.02 1.53 0.00 -0.39 0.15 119.26 123.24 1y4g h ALA 110 Ca 0.19 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.88 1y4g h ALA 110 Cb 0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1y4g h ALA 110 CO -0.03 0.38 -0.74 0.00 0.00 0.00 0.00 179.25 178.86 1y4g h ALA 111 N 1.63 0.73 0.00 0.00 0.00 -0.43 -3.35 119.26 117.85 1y4g h ALA 111 Ca 0.19 -0.64 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1y4g h ALA 111 Cb -0.03 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1y4g h ALA 111 CO -0.04 0.85 -1.89 0.72 0.00 0.00 0.00 179.25 178.90 1y4g n HIS 112 N -3.73 0.13 -3.05 0.00 8.25 -0.57 -4.67 115.22 111.58 1y4g n HIS 112 Ca -0.02 0.04 -0.25 0.00 -0.26 0.00 0.00 57.72 57.23 1y4g n HIS 112 Cb 0.71 -0.59 -0.04 0.00 1.12 0.00 0.00 29.99 31.19 1y4g n HIS 112 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1y4g n LEU 113 N -2.34 3.58 0.04 2.41 4.77 0.48 -4.95 117.00 120.99 1y4g n LEU 113 Ca -0.05 -5.50 -0.11 0.00 -0.03 0.00 0.00 56.01 50.32 1y4g n LEU 113 Cb 0.60 -0.29 -0.04 0.00 -2.33 0.00 0.00 43.42 41.35 1y4g n LEU 113 CO 0.45 2.30 0.78 -0.65 -1.33 0.00 0.00 177.39 178.94 1y4g h PRO 114 N 3.16 -0.20 -0.67 3.23 0.10 -1.80 -1.50 132.00 134.32 1y4g h PRO 114 Ca 0.13 0.01 -0.05 0.00 0.10 0.00 0.00 66.00 66.19 1y4g h PRO 114 Cb 0.62 0.05 -0.03 0.00 0.10 0.00 0.00 31.00 31.74 1y4g h PRO 114 CO 0.75 -0.13 0.21 0.00 0.10 0.00 0.00 178.00 178.92 1y4g h ALA 115 N 0.77 1.10 0.00 -0.75 0.00 -1.94 -2.94 119.26 115.51 1y4g h ALA 115 Ca 0.06 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1y4g h ALA 115 Cb 0.28 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1y4g h ALA 115 CO -0.15 0.61 0.00 0.93 0.00 0.00 0.00 179.25 180.64 1y4g h GLU 116 N 0.99 0.00 -2.71 0.00 3.07 -1.86 -3.38 114.58 110.68 1y4g h GLU 116 Ca 0.22 0.00 -0.74 0.00 -0.50 0.00 0.00 59.36 58.34 1y4g h GLU 116 Cb 0.28 0.00 -0.12 0.00 -0.84 0.00 0.00 28.75 28.07 1y4g h GLU 116 CO -0.01 0.00 2.43 0.34 -1.40 0.00 0.00 179.01 180.37 1y4g n PHE 117 N -2.34 2.62 -1.57 4.33 7.35 -0.61 -4.81 117.46 122.42 1y4g n PHE 117 Ca 0.05 -2.83 -0.29 0.00 -0.76 0.00 0.00 57.45 53.62 1y4g n PHE 117 Cb 0.43 -1.87 0.11 0.00 0.35 0.00 0.00 39.48 38.51 1y4g n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1y4g s THR 118 N -0.91 2.45 0.35 -2.13 -4.23 -1.26 -4.72 115.64 105.19 1y4g s THR 118 Ca 0.53 0.14 0.08 0.00 -1.18 0.00 0.00 61.69 61.27 1y4g s THR 118 Cb 0.18 -2.91 0.32 0.00 1.34 0.00 0.00 72.50 71.42 1y4g s THR 118 CO -0.08 -0.19 1.88 -0.65 -0.54 0.00 0.00 174.62 175.04 1y4g h PRO 119 N -1.29 0.69 -0.09 3.99 0.11 -1.99 0.13 132.00 133.56 1y4g h PRO 119 Ca -0.49 -0.04 -0.22 0.00 0.11 0.00 0.00 66.00 65.36 1y4g h PRO 119 Cb 1.31 -0.16 0.01 0.00 0.11 0.00 0.00 31.00 32.27 1y4g h PRO 119 CO 0.61 0.46 -0.84 0.00 -0.21 0.00 0.00 178.00 178.02 1y4g h ALA 120 N 1.59 0.34 -0.38 -0.75 0.00 -1.97 -2.48 119.26 115.61 1y4g h ALA 120 Ca 0.42 -0.63 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 1y4g h ALA 120 Cb 0.63 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1y4g h ALA 120 CO -0.19 0.71 -0.21 0.28 0.00 0.00 0.00 179.25 179.85 1y4g h VAL 121 N 0.43 1.28 -0.54 0.00 2.07 -1.73 -1.56 116.25 116.21 1y4g h VAL 121 Ca -0.07 -1.35 0.09 0.00 0.82 0.00 0.00 66.70 66.19 1y4g h VAL 121 Cb 1.46 1.33 -0.07 0.00 -1.52 0.00 0.00 31.29 32.49 1y4g h VAL 121 CO 0.16 0.45 0.14 -0.74 0.02 0.00 0.00 177.57 177.60 1y4g h HIS 122 N 0.61 0.23 -0.21 1.57 6.17 -0.81 0.79 115.15 123.50 1y4g h HIS 122 Ca 0.08 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.20 1y4g h HIS 122 Cb 0.77 -0.02 -0.01 0.00 2.52 0.00 0.00 27.41 30.67 1y4g h HIS 122 CO 0.06 0.02 0.14 0.00 0.71 0.00 0.00 177.93 178.86 1y4g h ALA 123 N 1.41 0.27 -0.41 5.26 0.00 -1.24 -2.04 119.26 122.51 1y4g h ALA 123 Ca 0.27 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1y4g h ALA 123 Cb 0.36 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1y4g h ALA 123 CO -0.33 -0.26 0.18 0.77 0.00 0.00 0.00 179.25 179.62 1y4g h SER 124 N 0.29 0.55 -0.60 0.00 0.02 -0.74 -2.21 113.55 110.85 1y4g h SER 124 Ca 0.08 -0.14 -0.04 0.00 -0.84 0.00 0.00 61.79 60.84 1y4g h SER 124 Cb -0.03 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.34 1y4g h SER 124 CO -0.02 0.54 0.23 -0.07 -1.14 0.00 0.00 176.83 176.37 1y4g h LEU 125 N 0.52 0.86 -0.49 5.07 3.38 -0.76 -1.22 115.31 122.66 1y4g h LEU 125 Ca 0.14 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1y4g h LEU 125 Cb 0.15 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1y4g h LEU 125 CO -0.02 0.79 0.06 -0.78 0.09 0.00 0.00 178.44 178.58 1y4g h ASP 126 N 0.92 0.80 -0.38 -0.43 3.58 -1.13 -0.54 116.42 119.24 1y4g h ASP 126 Ca 0.21 -0.28 -0.08 0.00 0.42 0.00 0.00 57.03 57.31 1y4g h ASP 126 Cb 0.21 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 1y4g h ASP 126 CO -0.01 0.88 -0.04 0.11 -2.88 0.00 0.00 179.24 177.29 1y4g h LYS 127 N 0.70 0.78 0.05 0.28 1.57 -1.20 -1.49 116.57 117.25 1y4g h LYS 127 Ca 0.15 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1y4g h LYS 127 Cb 0.43 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1y4g h LYS 127 CO 0.01 0.82 -0.02 0.35 -0.57 0.00 0.00 179.45 180.04 1y4g h PHE 128 N 0.72 -0.06 -0.52 -1.35 3.57 -0.71 -0.73 116.94 117.85 1y4g h PHE 128 Ca 0.13 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 1y4g h PHE 128 Cb 0.50 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.24 1y4g h PHE 128 CO 0.03 0.19 0.30 -0.07 -2.23 0.00 0.00 178.31 176.53 1y4g h LEU 129 N -0.30 0.62 -0.54 0.59 3.38 -1.08 -0.34 115.31 117.63 1y4g h LEU 129 Ca -0.01 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1y4g h LEU 129 Cb 0.28 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1y4g h LEU 129 CO 0.01 0.49 0.15 0.00 0.09 0.00 0.00 178.44 179.18 1y4g h ALA 130 N 1.62 0.72 -0.51 1.53 0.00 -0.95 0.10 119.26 121.76 1y4g h ALA 130 Ca 0.19 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1y4g h ALA 130 Cb -0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1y4g h ALA 130 CO -0.03 0.40 0.16 0.77 0.00 0.00 0.00 179.25 180.54 1y4g h SER 131 N 0.76 0.75 -0.85 0.00 0.02 -0.25 0.13 113.55 114.12 1y4g h SER 131 Ca 0.17 -0.21 0.04 0.00 -0.84 0.00 0.00 61.79 60.96 1y4g h SER 131 Cb 0.31 -0.20 -0.05 0.00 0.14 0.00 0.00 62.40 62.60 1y4g h SER 131 CO -0.00 0.76 0.54 0.58 -1.14 0.00 0.00 176.83 177.57 1y4g h VAL 132 N 0.70 1.10 -0.38 2.27 2.07 -0.83 -0.32 116.25 120.87 1y4g h VAL 132 Ca 0.17 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1y4g h VAL 132 Cb 0.28 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 1y4g h VAL 132 CO -0.00 0.19 0.15 0.28 0.02 0.00 0.00 177.57 178.20 1y4g h SER 133 N 1.02 0.52 -0.31 0.57 0.02 -0.21 -0.84 113.55 114.32 1y4g h SER 133 Ca 0.35 -0.17 0.02 0.00 -0.84 0.00 0.00 61.79 61.15 1y4g h SER 133 Cb 0.07 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 1y4g h SER 133 CO -0.14 0.55 0.16 0.74 -1.14 0.00 0.00 176.83 177.01 1y4g h THR 134 N 0.46 1.00 -0.63 -2.27 2.02 -0.56 -1.97 112.91 110.96 1y4g h THR 134 Ca 0.12 -0.11 0.06 0.00 0.77 0.00 0.00 66.41 67.25 1y4g h THR 134 Cb 0.20 0.63 -0.05 0.00 -1.74 0.00 0.00 68.15 67.18 1y4g h THR 134 CO -0.01 0.06 0.33 0.58 0.37 0.00 0.00 175.52 176.86 1y4g h VAL 135 N 0.33 0.94 0.00 3.16 2.07 -0.72 -1.49 116.25 120.54 1y4g h VAL 135 Ca 0.13 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1y4g h VAL 135 Cb 0.04 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.08 1y4g h VAL 135 CO -0.08 0.11 0.00 -0.07 0.02 0.00 0.00 177.57 177.55 1y4g h LEU 136 N 0.62 0.00 -2.64 2.57 3.38 -0.67 -2.97 115.31 115.60 1y4g h LEU 136 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1y4g h LEU 136 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1y4g h LEU 136 CO -0.19 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.69 1y4g n THR 137 N -2.64 0.83 0.37 0.22 -2.24 -0.78 -4.37 114.28 105.66 1y4g n THR 137 Ca 0.02 -0.91 0.14 0.00 -2.27 0.00 0.00 64.05 61.02 1y4g n THR 137 Cb 0.28 0.62 0.54 0.00 -2.10 0.00 0.00 70.33 69.67 1y4g n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1y4g h SER 138 N 1.51 0.00 -0.32 3.42 4.64 -1.12 -2.92 113.55 118.76 1y4g h SER 138 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1y4g h SER 138 Cb 0.61 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.68 1y4g h SER 138 CO 0.00 0.00 0.01 0.29 -0.87 0.00 0.00 176.83 176.26 1y4g n LYS 139 N -2.55 2.90 -0.30 4.77 5.02 -1.26 -4.75 118.16 121.99 1y4g n LYS 139 Ca 0.02 -2.92 -0.04 0.00 -2.02 0.00 0.00 58.31 53.34 1y4g n LYS 139 Cb 0.28 -1.89 0.07 0.00 -0.02 0.00 0.00 35.03 33.47 1y4g n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1y4g h TYR 140 N 1.83 1.05 0.00 2.13 -1.99 -1.83 -3.46 116.97 114.70 1y4g h TYR 140 Ca 0.05 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.79 1y4g h TYR 140 Cb 1.57 -0.35 0.00 0.00 2.00 0.00 0.00 36.73 39.95 1y4g h TYR 140 CO 0.65 0.69 0.00 2.89 -0.00 0.00 0.00 178.16 182.39