#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y4v s LEU 2 N 0.00 4.30 0.79 7.52 1.43 -1.26 -5.01 118.68 126.44 1y4v s LEU 2 Ca 0.00 2.04 -0.10 0.00 -1.03 0.00 0.00 54.13 55.05 1y4v s LEU 2 Cb 0.00 -3.55 0.10 0.00 0.03 0.00 0.00 46.19 42.76 1y4v s LEU 2 CO 0.00 -0.74 1.12 -0.94 0.23 0.00 0.00 176.35 176.03 1y4v s SER 3 N 2.04 4.37 0.27 2.29 1.04 -1.26 -4.86 113.70 117.59 1y4v s SER 3 Ca 0.63 0.48 -0.02 0.00 0.48 0.00 0.00 55.95 57.52 1y4v s SER 3 Cb -0.30 -0.94 0.37 0.00 0.10 0.00 0.00 66.02 65.25 1y4v s SER 3 CO 0.25 -1.92 1.82 -0.65 0.98 0.00 0.00 173.24 173.71 1y4v h PRO 4 N -0.94 0.87 -0.62 4.02 0.11 -1.99 -0.89 132.00 132.56 1y4v h PRO 4 Ca -0.44 -0.18 -0.04 0.00 0.11 0.00 0.00 66.00 65.45 1y4v h PRO 4 Cb 1.30 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 1y4v h PRO 4 CO 0.57 0.77 0.25 0.00 -0.21 0.00 0.00 178.00 179.38 1y4v h ALA 5 N 1.32 0.81 -0.22 -0.75 0.00 -1.99 -1.81 119.26 116.62 1y4v h ALA 5 Ca 0.19 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1y4v h ALA 5 Cb 0.29 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1y4v h ALA 5 CO -0.00 0.43 0.09 -0.44 0.00 0.00 0.00 179.25 179.32 1y4v h ASP 6 N 0.88 0.11 -0.74 0.00 3.32 -1.80 0.16 116.42 118.36 1y4v h ASP 6 Ca 0.21 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.26 1y4v h ASP 6 Cb 0.21 -0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.72 1y4v h ASP 6 CO -0.02 0.10 0.40 0.11 -1.72 0.00 0.00 179.24 178.11 1y4v h LYS 7 N 0.20 1.04 0.02 3.56 1.57 -0.85 -0.19 116.57 121.92 1y4v h LYS 7 Ca 0.09 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1y4v h LYS 7 Cb 0.05 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.15 1y4v h LYS 7 CO -0.08 0.77 -0.01 1.15 -0.57 0.00 0.00 179.45 180.71 1y4v h THR 8 N 1.05 1.15 -0.40 -0.16 2.02 -0.78 -0.31 112.91 115.48 1y4v h THR 8 Ca 0.26 -0.51 0.07 0.00 0.77 0.00 0.00 66.41 67.01 1y4v h THR 8 Cb 0.04 1.49 -0.06 0.00 -1.74 0.00 0.00 68.15 67.88 1y4v h THR 8 CO -0.04 0.13 -0.00 0.78 0.37 0.00 0.00 175.52 176.76 1y4v h ASN 9 N -0.24 -0.17 0.02 4.18 2.35 -0.39 0.57 115.58 121.90 1y4v h ASN 9 Ca -0.00 0.09 -0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1y4v h ASN 9 Cb 0.23 0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.77 1y4v h ASN 9 CO 0.00 -0.05 -0.01 0.58 -1.65 0.00 0.00 177.43 176.31 1y4v h VAL 10 N 0.10 1.09 -0.99 2.81 2.07 -0.95 -1.75 116.25 118.64 1y4v h VAL 10 Ca 0.19 -0.33 0.02 0.00 0.82 0.00 0.00 66.70 67.40 1y4v h VAL 10 Cb 0.28 1.32 -0.05 0.00 -1.52 0.00 0.00 31.29 31.31 1y4v h VAL 10 CO -0.33 0.09 0.65 0.11 0.02 0.00 0.00 177.57 178.11 1y4v h LYS 11 N -0.17 1.26 0.77 1.57 1.57 -0.71 -0.83 116.57 120.04 1y4v h LYS 11 Ca -0.00 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 1y4v h LYS 11 Cb 0.16 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.19 1y4v h LYS 11 CO 0.00 0.84 -0.40 0.00 -0.57 0.00 0.00 179.45 179.32 1y4v h ALA 12 N 1.40 -1.27 -0.52 3.86 0.00 -0.69 -0.62 119.26 121.42 1y4v h ALA 12 Ca 0.37 -0.23 0.10 0.00 0.00 0.00 0.00 54.91 55.15 1y4v h ALA 12 Cb -0.09 0.46 -0.08 0.00 0.00 0.00 0.00 17.79 18.08 1y4v h ALA 12 CO -0.10 -1.21 0.05 0.00 0.00 0.00 0.00 179.25 178.00 1y4v h ALA 13 N -1.43 0.55 0.00 0.00 0.00 -1.22 -0.26 119.26 116.91 1y4v h ALA 13 Ca -0.11 0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1y4v h ALA 13 Cb 0.84 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1y4v h ALA 13 CO 0.15 -0.35 -0.39 2.35 0.00 0.00 0.00 179.25 181.01 1y4v h TRP 14 N 0.17 0.00 -0.69 0.00 2.91 -1.18 -2.41 115.95 114.76 1y4v h TRP 14 Ca 0.27 0.00 0.03 0.00 1.13 0.00 0.00 58.89 60.32 1y4v h TRP 14 Cb 0.39 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 29.00 1y4v h TRP 14 CO -0.28 0.39 0.43 0.78 -1.03 0.00 0.00 178.44 178.73 1y4v h GLY 15 N 1.23 1.00 2.00 2.65 0.00 0.59 -1.82 103.07 108.72 1y4v h GLY 15 Ca -0.00 -0.32 -0.10 0.00 0.00 0.00 0.00 47.33 46.91 1y4v h GLY 15 CO 0.05 0.27 -0.46 0.50 0.00 0.00 0.00 176.54 176.90 1y4v h LYS 16 N 0.84 0.00 -0.22 4.80 1.79 -0.92 -3.16 116.57 119.70 1y4v h LYS 16 Ca 0.28 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.79 1y4v h LYS 16 Cb 0.03 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.64 1y4v h LYS 16 CO -0.11 0.46 0.01 0.28 -1.08 0.00 0.00 179.45 179.01 1y4v h VAL 17 N 0.00 0.85 0.00 0.50 2.07 -0.99 -3.46 116.25 115.22 1y4v h VAL 17 Ca -0.00 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1y4v h VAL 17 Cb 0.90 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1y4v h VAL 17 CO 0.06 0.01 0.00 0.61 0.02 0.00 0.00 177.57 178.27 1y4v n GLY 18 N -1.19 3.02 0.00 2.17 0.00 -1.17 -1.78 105.19 106.24 1y4v n GLY 18 Ca -0.02 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.05 1y4v n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y4v n ALA 19 N 9.37 1.82 1.04 4.61 0.00 -1.26 -2.49 120.51 133.60 1y4v n ALA 19 Ca 0.00 -0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.49 1y4v n ALA 19 Cb 0.00 -1.16 0.05 0.00 0.00 0.00 0.00 19.45 18.33 1y4v n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1y4v n HIS 20 N -1.06 0.00 -0.28 0.00 8.25 -0.73 -4.59 115.22 116.80 1y4v n HIS 20 Ca 0.07 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.63 1y4v n HIS 20 Cb 0.04 -0.02 0.25 0.00 1.12 0.00 0.00 29.99 31.38 1y4v n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1y4v h ALA 21 N 3.79 1.23 -0.73 -1.41 0.00 -1.61 0.16 119.26 120.69 1y4v h ALA 21 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1y4v h ALA 21 Cb 0.70 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 1y4v h ALA 21 CO 0.00 -0.31 0.46 0.78 0.00 0.00 0.00 179.25 180.18 1y4v h GLY 22 N 0.37 1.04 1.53 0.00 0.00 -1.83 0.51 103.07 104.68 1y4v h GLY 22 Ca 0.49 -0.41 -0.14 0.00 0.00 0.00 0.00 47.33 47.28 1y4v h GLY 22 CO -0.51 0.40 -0.45 0.83 0.00 0.00 0.00 176.54 176.81 1y4v h GLU 23 N 0.99 0.51 -0.25 4.80 5.08 -1.44 -0.35 114.58 123.92 1y4v h GLU 23 Ca 0.26 -0.28 -0.17 0.00 -1.00 0.00 0.00 59.36 58.17 1y4v h GLU 23 Cb -0.08 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 1y4v h GLU 23 CO -0.05 0.86 -0.55 1.88 -1.00 0.00 0.00 179.01 180.15 1y4v h TYR 24 N 0.42 0.93 0.46 4.33 0.05 -0.56 -0.33 116.97 122.26 1y4v h TYR 24 Ca 0.03 -0.33 -0.02 0.00 0.05 0.00 0.00 58.73 58.46 1y4v h TYR 24 Cb 0.95 -0.17 -0.00 0.00 1.01 0.00 0.00 36.73 38.51 1y4v h TYR 24 CO 0.04 1.12 -0.26 0.78 -1.05 0.00 0.00 178.16 178.79 1y4v h GLY 25 N 0.86 -0.70 0.67 3.88 0.00 0.33 -0.09 103.07 108.01 1y4v h GLY 25 Ca 0.01 0.28 0.07 0.00 0.00 0.00 0.00 47.33 47.70 1y4v h GLY 25 CO 0.11 -0.26 0.57 0.00 0.00 0.00 0.00 176.54 176.97 1y4v h ALA 26 N -0.16 1.29 -0.38 3.60 0.00 -1.01 -2.08 119.26 120.52 1y4v h ALA 26 Ca -0.06 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 1y4v h ALA 26 Cb 0.54 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1y4v h ALA 26 CO 0.08 0.30 -0.26 1.49 0.00 0.00 0.00 179.25 180.86 1y4v h GLU 27 N 1.02 0.79 -0.51 0.00 4.81 -0.63 -1.56 114.58 118.51 1y4v h GLU 27 Ca 0.41 -0.34 -0.07 0.00 -0.13 0.00 0.00 59.36 59.23 1y4v h GLU 27 Cb 0.23 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1y4v h GLU 27 CO -0.19 0.96 0.03 0.00 -0.73 0.00 0.00 179.01 179.07 1y4v h ALA 28 N 1.03 1.09 -0.18 2.92 0.00 -0.48 -0.78 119.26 122.86 1y4v h ALA 28 Ca 0.09 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1y4v h ALA 28 Cb 0.78 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1y4v h ALA 28 CO 0.06 0.58 -0.00 -0.07 0.00 0.00 0.00 179.25 179.82 1y4v h LEU 29 N 0.78 0.31 -0.83 0.00 3.38 -1.22 0.02 115.31 117.75 1y4v h LEU 29 Ca 0.16 -0.32 0.03 0.00 0.09 0.00 0.00 57.88 57.83 1y4v h LEU 29 Cb 0.44 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 1y4v h LEU 29 CO 0.02 0.55 0.54 -0.08 0.09 0.00 0.00 178.44 179.56 1y4v h GLU 30 N 0.06 1.03 -0.51 1.13 4.81 -1.04 0.34 114.58 120.41 1y4v h GLU 30 Ca 0.05 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 1y4v h GLU 30 Cb 0.40 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 1y4v h GLU 30 CO 0.01 0.68 0.04 0.00 -0.73 0.00 0.00 179.01 179.01 1y4v h ARG 31 N 1.07 0.82 -0.23 1.92 3.08 -0.99 -2.69 114.38 117.36 1y4v h ARG 31 Ca 0.32 -0.21 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 1y4v h ARG 31 Cb -0.03 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 1y4v h ARG 31 CO -0.10 0.80 0.06 1.98 -1.07 0.00 0.00 179.97 181.64 1y4v h MET 32 N 0.77 0.37 -0.98 0.04 4.05 0.30 -1.26 114.93 118.22 1y4v h MET 32 Ca 0.16 -0.09 0.02 0.00 -0.28 0.00 0.00 59.70 59.51 1y4v h MET 32 Cb 0.41 -0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 31.11 1y4v h MET 32 CO 0.01 0.48 0.64 0.74 0.23 0.00 0.00 176.91 179.01 1y4v h PHE 33 N 0.20 1.22 0.21 1.39 0.04 -0.84 0.20 116.94 119.36 1y4v h PHE 33 Ca 0.07 0.03 -0.32 0.00 2.80 0.00 0.00 57.97 60.55 1y4v h PHE 33 Cb 0.27 -0.41 0.04 0.00 2.20 0.00 0.00 35.95 38.04 1y4v h PHE 33 CO 0.01 0.75 -1.40 -0.07 -0.60 0.00 0.00 178.31 176.99 1y4v h LEU 34 N 1.30 0.85 0.14 1.54 3.38 -1.48 -3.23 115.31 117.81 1y4v h LEU 34 Ca 0.37 -0.87 -0.29 0.00 0.09 0.00 0.00 57.88 57.18 1y4v h LEU 34 Cb -0.11 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 40.39 1y4v h LEU 34 CO -0.09 1.67 -1.29 0.28 0.09 0.00 0.00 178.44 179.10 1y4v h SER 35 N 0.19 0.57 -2.64 -0.43 0.02 -1.08 -3.40 113.55 106.77 1y4v h SER 35 Ca -0.23 -0.59 -0.60 0.00 -0.84 0.00 0.00 61.79 59.52 1y4v h SER 35 Cb 2.09 -0.18 -0.40 0.00 0.14 0.00 0.00 62.40 64.05 1y4v h SER 35 CO 0.26 1.45 -0.78 0.49 -1.14 0.00 0.00 176.83 177.12 1y4v n PHE 36 N -3.61 1.30 0.27 3.45 3.01 0.70 -4.98 117.46 117.60 1y4v n PHE 36 Ca -0.11 -3.83 0.17 0.00 1.01 0.00 0.00 57.45 54.70 1y4v n PHE 36 Cb 1.03 -0.23 0.93 0.00 -0.01 0.00 0.00 39.48 41.20 1y4v n PHE 36 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1y4v h PRO 37 N 5.29 0.00 0.00 -1.08 0.13 -1.73 -0.63 132.00 133.99 1y4v h PRO 37 Ca 0.20 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1y4v h PRO 37 Cb 0.82 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.95 1y4v h PRO 37 CO 0.57 0.00 -0.02 1.79 -0.23 0.00 0.00 178.00 180.11 1y4v h THR 38 N 0.00 0.07 0.00 1.56 1.35 -1.92 -2.12 112.91 111.85 1y4v h THR 38 Ca 0.00 -0.40 -0.01 0.00 -0.55 0.00 0.00 66.41 65.45 1y4v h THR 38 Cb 0.11 1.37 -0.00 0.00 -1.73 0.00 0.00 68.15 67.90 1y4v h THR 38 CO 0.00 0.02 -0.04 0.71 -0.25 0.00 0.00 175.52 175.96 1y4v h THR 39 N 0.00 0.11 0.00 6.82 1.35 -1.43 -2.90 112.91 116.86 1y4v h THR 39 Ca -0.00 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 1y4v h THR 39 Cb 0.37 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 1y4v h THR 39 CO 0.00 0.04 0.00 0.11 -0.25 0.00 0.00 175.52 175.42 1y4v h LYS 40 N 0.00 0.00 -0.01 4.72 1.57 -1.56 -3.03 116.57 118.25 1y4v h LYS 40 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1y4v h LYS 40 Cb 0.53 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.84 1y4v h LYS 40 CO 0.01 0.00 0.03 1.79 -0.57 0.00 0.00 179.45 180.71 1y4v h THR 41 N 0.00 0.10 -0.02 -0.16 1.35 -1.70 -0.66 112.91 111.82 1y4v h THR 41 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1y4v h THR 41 Cb 0.32 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 67.71 1y4v h THR 41 CO 0.00 0.00 -0.11 -1.22 -0.25 0.00 0.00 175.52 173.94 1y4v n TYR 42 N -3.20 0.00 -2.50 4.73 4.01 -1.15 -4.29 117.16 114.76 1y4v n TYR 42 Ca -0.03 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.59 1y4v n TYR 42 Cb 0.11 -0.03 0.03 0.00 -0.31 0.00 0.00 39.34 39.13 1y4v n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1y4v n PHE 43 N 0.12 1.96 0.11 -0.72 3.01 -0.25 -4.89 117.46 116.81 1y4v n PHE 43 Ca 0.15 -2.33 0.15 0.00 1.01 0.00 0.00 57.45 56.44 1y4v n PHE 43 Cb 0.40 -0.27 0.68 0.00 -0.01 0.00 0.00 39.48 40.28 1y4v n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1y4v h PRO 44 N 2.50 0.00 -0.07 -1.08 0.13 -1.74 -1.15 132.00 130.59 1y4v h PRO 44 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1y4v h PRO 44 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1y4v h PRO 44 CO 0.48 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 175.86 1y4v n HIS 45 N -4.39 0.08 -4.09 1.56 1.44 -1.26 -4.87 115.22 103.70 1y4v n HIS 45 Ca 0.04 -0.04 -0.24 0.00 -2.01 0.00 0.00 57.72 55.48 1y4v n HIS 45 Cb 0.39 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.46 1y4v n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1y4v s PHE 46 N -1.92 3.17 -0.43 -1.40 2.99 -0.44 -5.06 117.98 114.89 1y4v s PHE 46 Ca 0.33 -0.06 -0.18 0.00 0.00 0.00 0.00 56.93 57.03 1y4v s PHE 46 Cb 0.17 -1.47 0.02 0.00 0.00 0.00 0.00 43.02 41.75 1y4v s PHE 46 CO 0.27 0.51 0.46 0.34 -0.00 0.00 0.00 175.22 176.80 1y4v s ASP 47 N -3.55 6.20 -0.03 1.36 2.15 -1.26 -4.94 116.67 116.60 1y4v s ASP 47 Ca 0.32 -0.68 0.13 0.00 0.43 0.00 0.00 52.55 52.75 1y4v s ASP 47 Cb -0.09 -2.23 0.43 0.00 -0.30 0.00 0.00 42.92 40.73 1y4v s ASP 47 CO 0.25 -0.61 1.33 0.18 -0.17 0.00 0.00 175.17 176.15 1y4v n LEU 48 N 5.66 2.78 -4.76 -1.34 4.77 -1.26 -4.47 117.00 118.38 1y4v n LEU 48 Ca -0.07 -1.40 -0.34 0.00 -0.03 0.00 0.00 56.01 54.17 1y4v n LEU 48 Cb 0.47 -0.37 0.04 0.00 -2.33 0.00 0.00 43.42 41.23 1y4v n LEU 48 CO 0.47 0.59 0.77 -0.94 -1.33 0.00 0.00 177.39 176.96 1y4v s SER 49 N -0.90 5.13 0.14 -1.43 1.04 -1.26 -4.92 113.70 111.50 1y4v s SER 49 Ca 0.32 2.16 -0.32 0.00 0.48 0.00 0.00 55.95 58.58 1y4v s SER 49 Cb 0.18 -2.57 -0.12 0.00 0.10 0.00 0.00 66.02 63.61 1y4v s SER 49 CO 0.19 -1.62 1.77 1.57 0.98 0.00 0.00 173.24 176.13 1y4v n HIS 50 N -2.06 2.59 -0.97 5.02 -0.00 -1.26 -1.90 115.22 116.64 1y4v n HIS 50 Ca 0.12 -0.03 0.00 0.00 0.46 0.00 0.00 57.72 58.27 1y4v n HIS 50 Cb 0.51 -2.68 0.00 0.00 -0.12 0.00 0.00 29.99 27.70 1y4v n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1y4v n GLY 51 N 4.05 0.48 3.75 1.57 0.00 -1.26 -5.01 105.19 108.76 1y4v n GLY 51 Ca 0.18 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 1y4v n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y4v s SER 52 N -2.29 6.54 0.47 1.61 1.04 -0.80 -4.88 113.70 115.40 1y4v s SER 52 Ca 0.00 2.78 0.22 0.00 0.48 0.00 0.00 55.95 59.43 1y4v s SER 52 Cb 0.00 -2.63 1.19 0.00 0.10 0.00 0.00 66.02 64.68 1y4v s SER 52 CO 0.00 -0.78 2.00 0.00 0.98 0.00 0.00 173.24 175.44 1y4v h ALA 53 N 4.83 1.38 -0.37 5.32 0.00 -1.90 0.10 119.26 128.62 1y4v h ALA 53 Ca -0.47 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.13 1y4v h ALA 53 Cb 1.22 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1y4v h ALA 53 CO 0.77 0.23 -0.36 1.96 0.00 0.00 0.00 179.25 181.86 1y4v h GLN 54 N 0.00 0.89 -0.22 0.00 4.20 -1.90 -0.18 115.11 117.90 1y4v h GLN 54 Ca -0.00 -0.46 -0.10 0.00 0.06 0.00 0.00 58.65 58.15 1y4v h GLN 54 Cb 0.41 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.21 1y4v h GLN 54 CO 0.02 1.11 -0.24 0.28 -0.67 0.00 0.00 178.83 179.34 1y4v h VAL 55 N 0.69 1.32 -0.35 -0.54 2.07 -1.63 -1.79 116.25 116.02 1y4v h VAL 55 Ca 0.06 -1.41 0.03 0.00 0.82 0.00 0.00 66.70 66.20 1y4v h VAL 55 Cb 0.95 1.74 -0.03 0.00 -1.52 0.00 0.00 31.29 32.42 1y4v h VAL 55 CO 0.09 0.43 0.14 0.11 0.02 0.00 0.00 177.57 178.36 1y4v h LYS 56 N 0.23 0.29 -0.08 1.57 1.57 -0.90 0.64 116.57 119.89 1y4v h LYS 56 Ca 0.03 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.82 1y4v h LYS 56 Cb 0.79 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.01 1y4v h LYS 56 CO 0.06 0.19 -0.09 0.78 -0.57 0.00 0.00 179.45 179.82 1y4v h GLY 57 N 0.30 -0.03 1.09 3.86 0.00 -1.00 -1.57 103.07 105.72 1y4v h GLY 57 Ca 0.15 0.11 -0.03 0.00 0.00 0.00 0.00 47.33 47.56 1y4v h GLY 57 CO -0.14 -0.10 0.36 0.84 0.00 0.00 0.00 176.54 177.50 1y4v h HIS 58 N -0.12 1.17 -0.84 5.60 -0.00 -1.06 -2.17 115.15 117.73 1y4v h HIS 58 Ca 0.06 -0.06 0.08 0.00 -0.00 0.00 0.00 60.37 60.45 1y4v h HIS 58 Cb 0.21 -0.36 -0.07 0.00 -0.00 0.00 0.00 27.41 27.19 1y4v h HIS 58 CO -0.19 0.86 0.50 0.78 -0.00 0.00 0.00 177.93 179.87 1y4v h GLY 59 N 1.17 1.28 0.87 5.26 0.00 -0.32 -0.60 103.07 110.73 1y4v h GLY 59 Ca 0.27 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 47.26 1y4v h GLY 59 CO -0.03 0.19 -0.03 1.70 0.00 0.00 0.00 176.54 178.37 1y4v h LYS 60 N 0.87 -0.07 -0.48 4.80 3.64 -0.73 -0.90 116.57 123.69 1y4v h LYS 60 Ca 0.39 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.87 1y4v h LYS 60 Cb 0.28 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.03 1y4v h LYS 60 CO -0.21 0.08 -0.05 0.87 -2.27 0.00 0.00 179.45 177.86 1y4v h LYS 61 N -0.21 0.06 -0.13 1.90 1.57 -0.75 0.20 116.57 119.22 1y4v h LYS 61 Ca -0.01 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1y4v h LYS 61 Cb 0.18 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1y4v h LYS 61 CO 0.01 0.04 0.05 0.28 -0.57 0.00 0.00 179.45 179.27 1y4v h VAL 62 N 0.06 1.15 -0.34 0.50 2.07 -1.03 -2.15 116.25 116.52 1y4v h VAL 62 Ca 0.24 -0.44 0.06 0.00 0.82 0.00 0.00 66.70 67.37 1y4v h VAL 62 Cb 0.36 1.20 -0.05 0.00 -1.52 0.00 0.00 31.29 31.28 1y4v h VAL 62 CO -0.44 0.14 0.03 0.00 0.02 0.00 0.00 177.57 177.32 1y4v h ALA 63 N 0.90 0.33 -0.76 1.67 0.00 -0.63 -1.60 119.26 119.17 1y4v h ALA 63 Ca 0.04 0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.10 1y4v h ALA 63 Cb 0.17 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 1y4v h ALA 63 CO -0.00 -0.37 0.45 -0.44 0.00 0.00 0.00 179.25 178.88 1y4v h ASP 64 N 0.13 0.68 0.07 0.00 5.19 -0.45 -1.15 116.42 120.88 1y4v h ASP 64 Ca 0.16 0.03 -0.08 0.00 -0.62 0.00 0.00 57.03 56.52 1y4v h ASP 64 Cb 0.20 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.59 1y4v h ASP 64 CO -0.24 0.43 -0.23 0.00 -3.12 0.00 0.00 179.24 176.07 1y4v h ALA 65 N 1.38 1.30 -0.54 3.45 0.00 -0.79 -2.06 119.26 122.01 1y4v h ALA 65 Ca 0.34 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1y4v h ALA 65 Cb 0.20 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1y4v h ALA 65 CO -0.19 0.47 -0.07 -0.07 0.00 0.00 0.00 179.25 179.39 1y4v h LEU 66 N 0.27 1.00 0.00 0.00 3.38 -0.29 -1.10 115.31 118.57 1y4v h LEU 66 Ca 0.04 -0.34 0.03 0.00 0.09 0.00 0.00 57.88 57.70 1y4v h LEU 66 Cb 0.56 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 1y4v h LEU 66 CO 0.04 1.10 -0.18 0.74 0.09 0.00 0.00 178.44 180.23 1y4v h THR 67 N 0.88 0.56 -0.63 0.22 2.02 -0.97 0.14 112.91 115.14 1y4v h THR 67 Ca 0.14 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.37 1y4v h THR 67 Cb 0.63 0.56 -0.04 0.00 -1.74 0.00 0.00 68.15 67.56 1y4v h THR 67 CO 0.04 0.00 0.42 -1.13 0.37 0.00 0.00 175.52 175.22 1y4v h ASN 68 N -0.30 0.60 -0.30 4.18 -1.24 -1.26 0.54 115.58 117.79 1y4v h ASN 68 Ca 0.06 -0.00 -0.16 0.00 0.71 0.00 0.00 56.30 56.90 1y4v h ASN 68 Cb 0.37 -0.13 -0.00 0.00 0.73 0.00 0.00 38.32 39.29 1y4v h ASN 68 CO -0.17 0.40 -0.44 0.00 -1.29 0.00 0.00 177.43 175.93 1y4v h ALA 69 N 1.65 0.45 -0.40 1.57 0.00 0.07 -2.05 119.26 120.55 1y4v h ALA 69 Ca 0.26 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1y4v h ALA 69 Cb 0.17 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1y4v h ALA 69 CO -0.08 0.59 0.11 0.28 0.00 0.00 0.00 179.25 180.16 1y4v h VAL 70 N 0.60 1.22 -0.72 0.00 2.07 0.11 -0.23 116.25 119.30 1y4v h VAL 70 Ca 0.03 -0.75 0.03 0.00 0.82 0.00 0.00 66.70 66.83 1y4v h VAL 70 Cb 1.04 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 31.72 1y4v h VAL 70 CO 0.10 0.26 0.48 0.00 0.02 0.00 0.00 177.57 178.43 1y4v h ALA 71 N 0.96 1.55 -0.84 1.67 0.00 -0.90 -2.59 119.26 119.11 1y4v h ALA 71 Ca 0.13 -0.04 -0.60 0.00 0.00 0.00 0.00 54.91 54.40 1y4v h ALA 71 Cb 0.28 -0.26 -0.38 0.00 0.00 0.00 0.00 17.79 17.43 1y4v h ALA 71 CO -0.00 0.38 -0.22 0.72 0.00 0.00 0.00 179.25 180.13 1y4v n HIS 72 N -4.45 2.93 0.06 0.00 8.25 -0.77 -4.76 115.22 116.48 1y4v n HIS 72 Ca 0.09 -2.51 0.21 0.00 -0.26 0.00 0.00 57.72 55.24 1y4v n HIS 72 Cb 0.10 -0.73 0.74 0.00 1.12 0.00 0.00 29.99 31.22 1y4v n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1y4v h VAL 73 N 1.77 0.49 0.00 1.59 3.04 -0.63 0.30 116.25 122.81 1y4v h VAL 73 Ca 0.45 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.14 1y4v h VAL 73 Cb 1.27 0.68 0.00 0.00 -2.01 0.00 0.00 31.29 31.24 1y4v h VAL 73 CO 1.06 0.00 -0.24 0.44 -1.01 0.00 0.00 177.57 177.82 1y4v h ASP 74 N 0.00 0.00 -0.63 3.17 3.32 -1.85 -3.38 116.42 117.04 1y4v h ASP 74 Ca 0.21 -0.04 -0.29 0.00 0.02 0.00 0.00 57.03 56.93 1y4v h ASP 74 Cb 1.04 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 40.22 1y4v h ASP 74 CO -0.00 0.02 -1.04 -0.67 -1.72 0.00 0.00 179.24 175.83 1y4v n ASP 75 N -2.51 1.03 -0.12 6.45 2.03 0.96 -4.98 116.55 119.42 1y4v n ASP 75 Ca 0.04 -2.39 -0.05 0.00 0.52 0.00 0.00 54.79 52.91 1y4v n ASP 75 Cb 0.47 -0.31 0.03 0.00 -0.72 0.00 0.00 41.12 40.59 1y4v n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1y4v h MET 76 N 2.64 0.11 -0.99 -0.67 2.86 -1.54 0.29 114.93 117.62 1y4v h MET 76 Ca -0.15 -0.01 0.19 0.00 -2.06 0.00 0.00 59.70 57.67 1y4v h MET 76 Cb 1.23 -0.03 -0.10 0.00 0.06 0.00 0.00 31.60 32.77 1y4v h MET 76 CO 0.29 0.08 0.61 -1.35 1.06 0.00 0.00 176.91 177.60 1y4v h PRO 77 N 0.12 0.71 0.12 -0.22 0.11 -1.93 0.51 132.00 131.41 1y4v h PRO 77 Ca 0.20 -0.04 -0.18 0.00 0.11 0.00 0.00 66.00 66.09 1y4v h PRO 77 Cb 0.27 -0.16 0.01 0.00 0.11 0.00 0.00 31.00 31.24 1y4v h PRO 77 CO -0.32 0.47 -0.80 -0.91 -0.21 0.00 0.00 178.00 176.23 1y4v h ASN 78 N 0.73 0.38 0.07 -2.05 4.21 -1.71 -2.66 115.58 114.55 1y4v h ASN 78 Ca 0.56 -0.94 -0.01 0.00 1.21 0.00 0.00 56.30 57.13 1y4v h ASN 78 Cb 0.93 -0.12 -0.00 0.00 -1.12 0.00 0.00 38.32 38.00 1y4v h ASN 78 CO -0.35 1.38 -0.05 0.00 -1.29 0.00 0.00 177.43 177.12 1y4v h ALA 79 N 0.04 1.72 -0.27 -0.83 0.00 0.83 -2.94 119.26 117.81 1y4v h ALA 79 Ca -0.15 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1y4v h ALA 79 Cb 1.57 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1y4v h ALA 79 CO 0.11 0.06 0.00 1.28 0.00 0.00 0.00 179.25 180.70 1y4v n LEU 80 N -4.19 3.97 -0.16 0.00 4.77 0.17 -4.77 117.00 116.79 1y4v n LEU 80 Ca -0.03 -3.02 -0.10 0.00 -0.03 0.00 0.00 56.01 52.83 1y4v n LEU 80 Cb 0.13 -0.55 -0.06 0.00 -2.33 0.00 0.00 43.42 40.61 1y4v n LEU 80 CO 0.32 0.67 0.55 0.77 -1.33 0.00 0.00 177.39 178.38 1y4v h SER 81 N 1.90 -1.56 -0.64 -1.43 4.64 -1.28 -0.03 113.55 115.16 1y4v h SER 81 Ca 0.00 0.23 0.09 0.00 -0.47 0.00 0.00 61.79 61.64 1y4v h SER 81 Cb 1.47 0.68 -0.07 0.00 -0.31 0.00 0.00 62.40 64.17 1y4v h SER 81 CO 0.24 -0.37 0.28 0.00 -0.87 0.00 0.00 176.83 176.11 1y4v h ALA 82 N 0.37 0.85 -0.48 5.18 0.00 -1.86 -0.69 119.26 122.62 1y4v h ALA 82 Ca 0.13 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 1y4v h ALA 82 Cb 0.58 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1y4v h ALA 82 CO -0.62 -0.13 -0.16 -0.07 0.00 0.00 0.00 179.25 178.28 1y4v h LEU 83 N 0.49 0.94 -0.68 0.00 4.07 -1.73 -0.20 115.31 118.21 1y4v h LEU 83 Ca 0.32 -0.32 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 1y4v h LEU 83 Cb 0.35 -0.26 -0.03 0.00 1.08 0.00 0.00 40.66 41.80 1y4v h LEU 83 CO -0.28 1.08 0.40 0.28 -1.08 0.00 0.00 178.44 178.84 1y4v h SER 84 N 0.82 0.82 0.59 -0.43 0.02 -0.42 -1.88 113.55 113.07 1y4v h SER 84 Ca 0.12 -0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 1y4v h SER 84 Cb 0.71 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.04 1y4v h SER 84 CO 0.05 0.65 -0.36 0.44 -1.14 0.00 0.00 176.83 176.48 1y4v h ASP 85 N 0.92 -0.91 -0.52 3.07 3.32 -0.92 -0.61 116.42 120.77 1y4v h ASP 85 Ca 0.24 0.05 0.10 0.00 0.02 0.00 0.00 57.03 57.44 1y4v h ASP 85 Cb -0.01 0.26 -0.11 0.00 0.22 0.00 0.00 39.33 39.70 1y4v h ASP 85 CO -0.04 -0.55 -0.32 0.25 -1.72 0.00 0.00 179.24 176.85 1y4v h LEU 86 N -0.89 -1.09 -0.50 1.55 5.85 -0.94 0.19 115.31 119.49 1y4v h LEU 86 Ca -0.08 0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 1y4v h LEU 86 Cb 0.71 0.54 -0.02 0.00 0.37 0.00 0.00 40.66 42.25 1y4v h LEU 86 CO 0.08 -0.30 0.20 0.45 -0.34 0.00 0.00 178.44 178.53 1y4v h HIS 87 N -0.18 0.76 -0.37 1.25 3.86 -1.37 0.11 115.15 119.21 1y4v h HIS 87 Ca 0.21 -0.06 -0.14 0.00 -1.16 0.00 0.00 60.37 59.23 1y4v h HIS 87 Cb 0.54 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.77 1y4v h HIS 87 CO -0.59 0.63 -0.31 0.00 0.86 0.00 0.00 177.93 178.52 1y4v h ALA 88 N 1.05 0.54 0.00 2.45 0.00 -0.25 0.27 119.26 123.32 1y4v h ALA 88 Ca 0.17 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1y4v h ALA 88 Cb 0.19 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1y4v h ALA 88 CO -0.01 0.58 -1.74 0.72 0.00 0.00 0.00 179.25 178.80 1y4v n HIS 89 N -4.15 0.00 -0.00 0.00 8.25 0.60 -4.54 115.22 115.38 1y4v n HIS 89 Ca -0.02 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.43 1y4v n HIS 89 Cb 0.50 -0.38 -0.00 0.00 1.12 0.00 0.00 29.99 31.22 1y4v n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1y4v n LYS 90 N -2.08 0.05 -0.10 -0.41 4.81 0.27 -4.85 118.16 115.84 1y4v n LYS 90 Ca -0.04 0.02 -0.10 0.00 -0.87 0.00 0.00 58.31 57.32 1y4v n LYS 90 Cb 0.45 -0.38 -0.02 0.00 0.02 0.00 0.00 35.03 35.09 1y4v n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1y4v h LEU 91 N -0.09 0.41 -1.42 3.14 3.38 -1.39 -3.47 115.31 115.87 1y4v h LEU 91 Ca 0.00 -0.13 -0.45 0.00 0.09 0.00 0.00 57.88 57.39 1y4v h LEU 91 Cb 0.09 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 40.75 1y4v h LEU 91 CO 0.00 0.43 -0.80 0.54 0.09 0.00 0.00 178.44 178.70 1y4v n ARG 92 N -4.76 -5.20 -2.17 1.13 1.74 0.96 -4.92 116.66 103.45 1y4v n ARG 92 Ca -0.02 0.61 -0.41 0.00 -0.77 0.00 0.00 57.85 57.26 1y4v n ARG 92 Cb 0.11 -5.31 -0.03 0.00 -1.02 0.00 0.00 32.46 26.21 1y4v n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1y4v s VAL 93 N -3.52 3.06 0.28 1.55 1.01 -1.26 -4.94 120.40 116.59 1y4v s VAL 93 Ca 0.30 0.90 -0.30 0.00 0.00 0.00 0.00 61.98 62.88 1y4v s VAL 93 Cb -0.15 -3.57 -0.11 0.00 0.00 0.00 0.00 36.38 32.55 1y4v s VAL 93 CO 0.82 0.14 1.50 -0.62 0.00 0.00 0.00 175.10 176.95 1y4v s ASP 94 N 0.24 6.51 0.58 3.32 2.15 -1.26 -4.85 116.67 123.36 1y4v s ASP 94 Ca 0.56 2.82 0.29 0.00 0.43 0.00 0.00 52.55 56.65 1y4v s ASP 94 Cb -0.38 -2.63 1.44 0.00 -0.30 0.00 0.00 42.92 41.05 1y4v s ASP 94 CO 0.41 -0.80 1.85 -0.65 -0.17 0.00 0.00 175.17 175.81 1y4v h PRO 95 N 4.71 0.00 -0.01 4.34 0.11 -2.00 -1.73 132.00 137.42 1y4v h PRO 95 Ca -0.47 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 1y4v h PRO 95 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1y4v h PRO 95 CO 0.77 0.00 -0.20 0.28 -0.21 0.00 0.00 178.00 178.63 1y4v h VAL 96 N 0.00 1.15 0.00 3.15 2.07 -2.03 -2.78 116.25 117.81 1y4v h VAL 96 Ca 0.27 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 1y4v h VAL 96 Cb 1.38 1.37 -0.00 0.00 -1.52 0.00 0.00 31.29 32.52 1y4v h VAL 96 CO -0.00 0.21 -0.15 0.78 0.02 0.00 0.00 177.57 178.42 1y4v h ASN 97 N 0.01 0.00 -0.22 0.57 4.21 -1.68 -3.02 115.58 115.45 1y4v h ASN 97 Ca 0.00 0.00 -0.06 0.00 1.21 0.00 0.00 56.30 57.45 1y4v h ASN 97 Cb 0.37 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.55 1y4v h ASN 97 CO 0.03 0.15 -0.05 -0.26 -1.29 0.00 0.00 177.43 176.01 1y4v h PHE 98 N 0.00 0.59 -0.04 1.19 0.04 -1.67 -2.32 116.94 114.73 1y4v h PHE 98 Ca -0.00 -0.07 -0.07 0.00 2.80 0.00 0.00 57.97 60.63 1y4v h PHE 98 Cb 0.52 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.49 1y4v h PHE 98 CO 0.00 0.60 -0.28 0.87 -0.60 0.00 0.00 178.31 178.90 1y4v h LYS 99 N 0.53 0.07 -0.09 1.51 1.57 -1.70 -1.54 116.57 116.91 1y4v h LYS 99 Ca 0.11 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.78 1y4v h LYS 99 Cb 0.41 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1y4v h LYS 99 CO 0.02 0.35 -0.28 -0.07 -0.57 0.00 0.00 179.45 178.89 1y4v h LEU 100 N 0.06 0.41 -0.57 2.94 3.38 -1.54 -2.09 115.31 117.89 1y4v h LEU 100 Ca 0.01 -0.61 -0.07 0.00 0.09 0.00 0.00 57.88 57.30 1y4v h LEU 100 Cb 0.54 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1y4v h LEU 100 CO 0.04 0.95 0.08 0.25 0.09 0.00 0.00 178.44 179.84 1y4v h LEU 101 N -0.11 0.92 -0.23 1.67 6.46 -1.43 -2.34 115.31 120.25 1y4v h LEU 101 Ca -0.01 -0.27 0.02 0.00 -0.12 0.00 0.00 57.88 57.50 1y4v h LEU 101 Cb 0.91 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 40.57 1y4v h LEU 101 CO 0.06 0.96 0.09 0.28 -0.62 0.00 0.00 178.44 179.21 1y4v h SER 102 N 0.85 0.11 -0.39 1.25 0.02 -1.28 -0.70 113.55 113.42 1y4v h SER 102 Ca 0.17 0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.16 1y4v h SER 102 Cb 0.44 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.96 1y4v h SER 102 CO 0.01 0.10 0.22 -0.74 -1.14 0.00 0.00 176.83 175.29 1y4v h HIS 103 N 0.20 0.42 0.00 3.45 -0.00 -1.32 -1.75 115.15 116.15 1y4v h HIS 103 Ca 0.10 0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.45 1y4v h HIS 103 Cb 0.05 -0.13 -0.00 0.00 -0.00 0.00 0.00 27.41 27.32 1y4v h HIS 103 CO -0.11 0.24 -0.12 0.00 -0.00 0.00 0.00 177.93 177.94 1y4v h LEU 105 N 0.00 0.93 0.29 0.00 5.85 -0.40 -2.28 115.31 119.70 1y4v h LEU 105 Ca -0.00 -0.70 -0.01 0.00 0.84 0.00 0.00 57.88 58.00 1y4v h LEU 105 Cb 0.26 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.01 1y4v h LEU 105 CO 0.02 1.50 -0.14 -0.07 -0.34 0.00 0.00 178.44 179.41 1y4v h LEU 106 N 0.45 -0.33 -0.74 2.25 3.38 -0.67 -1.12 115.31 118.53 1y4v h LEU 106 Ca -0.11 -0.09 0.16 0.00 0.09 0.00 0.00 57.88 57.93 1y4v h LEU 106 Cb 1.61 0.08 -0.11 0.00 0.09 0.00 0.00 40.66 42.33 1y4v h LEU 106 CO 0.19 -0.10 0.18 0.58 0.09 0.00 0.00 178.44 179.38 1y4v h VAL 107 N -0.54 0.50 -0.60 1.22 2.07 -1.31 0.41 116.25 117.99 1y4v h VAL 107 Ca -0.04 -0.09 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 1y4v h VAL 107 Cb 0.40 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 1y4v h VAL 107 CO 0.06 0.05 0.20 0.74 0.02 0.00 0.00 177.57 178.64 1y4v h THR 108 N 0.26 1.24 -0.17 2.57 2.02 -1.25 -1.87 112.91 115.71 1y4v h THR 108 Ca 0.42 -0.81 -0.04 0.00 0.77 0.00 0.00 66.41 66.75 1y4v h THR 108 Cb 0.72 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 1y4v h THR 108 CO -0.52 0.31 -0.05 -0.07 0.37 0.00 0.00 175.52 175.56 1y4v h LEU 109 N 0.85 0.34 -0.66 2.58 3.38 0.38 -2.70 115.31 119.49 1y4v h LEU 109 Ca 0.20 -0.37 0.12 0.00 0.09 0.00 0.00 57.88 57.91 1y4v h LEU 109 Cb 0.27 -0.09 -0.09 0.00 0.09 0.00 0.00 40.66 40.84 1y4v h LEU 109 CO -0.01 0.63 0.21 0.00 0.09 0.00 0.00 178.44 179.37 1y4v h ALA 110 N 0.72 0.85 0.00 1.53 0.00 -0.16 0.29 119.26 122.49 1y4v h ALA 110 Ca 0.04 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1y4v h ALA 110 Cb 0.49 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1y4v h ALA 110 CO 0.02 -0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.02 1y4v h ALA 111 N 1.49 1.00 0.00 0.00 0.00 -1.27 -3.29 119.26 117.18 1y4v h ALA 111 Ca 0.35 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.23 1y4v h ALA 111 Cb 0.50 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1y4v h ALA 111 CO -0.38 0.00 -1.34 0.72 0.00 0.00 0.00 179.25 178.25 1y4v n HIS 112 N -2.68 0.00 -2.93 0.00 -0.00 -0.25 -4.80 115.22 104.56 1y4v n HIS 112 Ca 0.01 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.50 1y4v n HIS 112 Cb 0.27 -0.19 -0.03 0.00 -0.00 0.00 0.00 29.99 30.04 1y4v n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1y4v n LEU 113 N -1.86 3.43 -0.08 2.41 4.77 0.87 -4.97 117.00 121.56 1y4v n LEU 113 Ca -0.03 -5.35 -0.13 0.00 -0.03 0.00 0.00 56.01 50.46 1y4v n LEU 113 Cb 0.31 -0.17 -0.09 0.00 -2.33 0.00 0.00 43.42 41.14 1y4v n LEU 113 CO 0.14 2.28 0.50 1.55 -1.33 0.00 0.00 177.39 180.54 1y4v h PRO 114 N 2.94 -0.40 -0.99 3.23 0.13 -1.79 0.52 132.00 135.63 1y4v h PRO 114 Ca 0.13 0.03 0.12 0.00 -0.87 0.00 0.00 66.00 65.40 1y4v h PRO 114 Cb 0.71 0.09 -0.08 0.00 0.13 0.00 0.00 31.00 31.84 1y4v h PRO 114 CO 0.73 -0.26 0.63 0.00 -0.23 0.00 0.00 178.00 178.86 1y4v h ALA 115 N -0.27 1.54 0.00 -0.56 0.00 -1.93 -2.64 119.26 115.40 1y4v h ALA 115 Ca 0.05 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1y4v h ALA 115 Cb 0.56 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1y4v h ALA 115 CO -0.48 0.22 -0.23 0.93 0.00 0.00 0.00 179.25 179.69 1y4v h GLU 116 N 0.98 0.00 -2.63 0.00 3.07 -1.82 -3.39 114.58 110.80 1y4v h GLU 116 Ca 0.49 0.00 -0.60 0.00 -0.50 0.00 0.00 59.36 58.75 1y4v h GLU 116 Cb 0.48 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.34 1y4v h GLU 116 CO -0.25 0.08 2.43 0.34 -1.40 0.00 0.00 179.01 180.21 1y4v n PHE 117 N -3.06 2.01 -1.54 4.33 7.35 0.11 -4.78 117.46 121.89 1y4v n PHE 117 Ca 0.03 -2.65 -0.30 0.00 -0.76 0.00 0.00 57.45 53.77 1y4v n PHE 117 Cb 0.57 -2.05 0.09 0.00 0.35 0.00 0.00 39.48 38.44 1y4v n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1y4v s THR 118 N 0.56 3.23 0.26 -2.13 -4.23 -1.26 -4.74 115.64 107.32 1y4v s THR 118 Ca 0.64 0.40 -0.03 0.00 -1.18 0.00 0.00 61.69 61.52 1y4v s THR 118 Cb 0.22 -3.13 0.24 0.00 1.34 0.00 0.00 72.50 71.17 1y4v s THR 118 CO -0.08 -0.52 1.83 -0.65 -0.54 0.00 0.00 174.62 174.66 1y4v h PRO 119 N -1.04 0.87 -0.34 3.99 0.11 -1.98 0.17 132.00 133.77 1y4v h PRO 119 Ca -0.46 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.48 1y4v h PRO 119 Cb 1.26 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1y4v h PRO 119 CO 0.58 0.57 -0.25 0.00 -0.21 0.00 0.00 178.00 178.69 1y4v h ALA 120 N 1.47 0.92 -0.20 -0.75 0.00 -1.96 -2.29 119.26 116.44 1y4v h ALA 120 Ca 0.42 -0.37 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 1y4v h ALA 120 Cb 0.36 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1y4v h ALA 120 CO -0.24 0.62 -0.58 0.28 0.00 0.00 0.00 179.25 179.33 1y4v h VAL 121 N 0.59 1.31 -0.30 0.00 2.07 -1.59 -2.51 116.25 115.82 1y4v h VAL 121 Ca 0.08 -1.82 0.03 0.00 0.82 0.00 0.00 66.70 65.81 1y4v h VAL 121 Cb 0.74 1.77 -0.03 0.00 -1.52 0.00 0.00 31.29 32.26 1y4v h VAL 121 CO 0.06 0.57 0.13 -0.74 0.02 0.00 0.00 177.57 177.61 1y4v h HIS 122 N 0.50 0.23 -0.29 1.57 6.17 -0.61 -1.14 115.15 121.56 1y4v h HIS 122 Ca 0.00 0.01 0.02 0.00 0.71 0.00 0.00 60.37 61.12 1y4v h HIS 122 Cb 1.15 -0.06 -0.02 0.00 2.52 0.00 0.00 27.41 31.00 1y4v h HIS 122 CO 0.06 0.11 0.14 0.00 0.71 0.00 0.00 177.93 178.96 1y4v h ALA 123 N 1.17 0.35 -0.10 5.26 0.00 -1.35 -1.89 119.26 122.71 1y4v h ALA 123 Ca 0.13 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1y4v h ALA 123 Cb 0.08 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1y4v h ALA 123 CO -0.11 -0.24 0.04 0.77 0.00 0.00 0.00 179.25 179.70 1y4v h SER 124 N 0.30 0.14 -0.96 0.00 0.02 -1.19 -2.21 113.55 109.66 1y4v h SER 124 Ca 0.12 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1y4v h SER 124 Cb 0.04 -0.04 -0.05 0.00 0.14 0.00 0.00 62.40 62.50 1y4v h SER 124 CO -0.08 0.27 0.62 -0.07 -1.14 0.00 0.00 176.83 176.42 1y4v h LEU 125 N 0.01 1.12 -0.00 5.07 3.38 -1.19 -0.67 115.31 123.02 1y4v h LEU 125 Ca 0.03 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1y4v h LEU 125 Cb 0.17 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 1y4v h LEU 125 CO -0.00 0.82 0.00 -0.78 0.09 0.00 0.00 178.44 178.57 1y4v h ASP 126 N 1.31 0.00 -0.80 -0.43 3.58 -1.21 0.19 116.42 119.05 1y4v h ASP 126 Ca 0.35 -0.06 0.05 0.00 0.42 0.00 0.00 57.03 57.80 1y4v h ASP 126 Cb -0.12 -0.00 -0.06 0.00 1.72 0.00 0.00 39.33 40.87 1y4v h ASP 126 CO -0.07 0.06 0.49 0.11 -2.88 0.00 0.00 179.24 176.95 1y4v h LYS 127 N -0.06 0.89 0.03 0.28 1.57 -1.13 0.87 116.57 119.03 1y4v h LYS 127 Ca 0.00 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1y4v h LYS 127 Cb 0.06 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.17 1y4v h LYS 127 CO -0.00 0.59 -0.01 0.35 -0.57 0.00 0.00 179.45 179.80 1y4v h PHE 128 N 0.92 -0.04 -0.40 -1.35 3.57 -0.86 0.18 116.94 118.97 1y4v h PHE 128 Ca 0.35 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.79 1y4v h PHE 128 Cb 0.14 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 1y4v h PHE 128 CO -0.04 0.11 0.02 -0.07 -2.23 0.00 0.00 178.31 176.09 1y4v h LEU 129 N -0.17 0.59 -0.19 0.59 3.38 -0.21 -0.64 115.31 118.65 1y4v h LEU 129 Ca -0.00 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 1y4v h LEU 129 Cb 0.16 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1y4v h LEU 129 CO 0.01 0.65 0.11 0.00 0.09 0.00 0.00 178.44 179.29 1y4v h ALA 130 N 1.43 0.24 -0.79 1.53 0.00 -0.34 0.50 119.26 121.83 1y4v h ALA 130 Ca 0.13 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1y4v h ALA 130 Cb 0.35 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1y4v h ALA 130 CO 0.01 -0.25 0.48 0.77 0.00 0.00 0.00 179.25 180.27 1y4v h SER 131 N 0.22 0.94 -0.87 0.00 0.02 -0.05 -0.18 113.55 113.63 1y4v h SER 131 Ca 0.07 -0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 1y4v h SER 131 Cb 0.03 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.30 1y4v h SER 131 CO -0.01 0.72 0.48 0.58 -1.14 0.00 0.00 176.83 177.46 1y4v h VAL 132 N 1.08 1.25 -0.60 2.27 2.07 -0.82 -0.75 116.25 120.75 1y4v h VAL 132 Ca 0.28 -0.63 -0.06 0.00 0.82 0.00 0.00 66.70 67.11 1y4v h VAL 132 Cb -0.05 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 29.77 1y4v h VAL 132 CO -0.05 0.28 0.13 0.28 0.02 0.00 0.00 177.57 178.23 1y4v h SER 133 N 1.22 0.92 -0.29 0.57 0.02 0.05 -1.05 113.55 114.99 1y4v h SER 133 Ca 0.31 -0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1y4v h SER 133 Cb 0.03 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 1y4v h SER 133 CO -0.05 0.93 0.17 0.74 -1.14 0.00 0.00 176.83 177.47 1y4v h THR 134 N 0.88 1.11 -0.36 -2.27 2.02 -0.75 -2.16 112.91 111.39 1y4v h THR 134 Ca 0.19 -0.28 -0.00 0.00 0.77 0.00 0.00 66.41 67.09 1y4v h THR 134 Cb 0.37 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 1y4v h THR 134 CO 0.00 0.11 0.20 0.58 0.37 0.00 0.00 175.52 176.79 1y4v h VAL 135 N 0.36 1.13 0.00 3.16 2.07 -0.85 -1.23 116.25 120.89 1y4v h VAL 135 Ca 0.10 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1y4v h VAL 135 Cb 0.03 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1y4v h VAL 135 CO -0.02 0.13 0.00 -0.07 0.02 0.00 0.00 177.57 177.64 1y4v h LEU 136 N 0.46 0.00 -2.73 2.57 3.38 -0.97 -2.96 115.31 115.06 1y4v h LEU 136 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1y4v h LEU 136 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1y4v h LEU 136 CO -0.02 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.86 1y4v n THR 137 N -2.99 0.87 0.21 0.22 -2.24 -0.83 -4.45 114.28 105.07 1y4v n THR 137 Ca -0.01 -0.94 0.06 0.00 -2.27 0.00 0.00 64.05 60.90 1y4v n THR 137 Cb 0.21 0.58 0.48 0.00 -2.10 0.00 0.00 70.33 69.50 1y4v n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1y4v h SER 138 N 0.99 0.00 -0.53 3.42 4.64 -1.05 -3.12 113.55 117.90 1y4v h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1y4v h SER 138 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1y4v h SER 138 CO 0.00 0.27 0.00 0.29 -0.87 0.00 0.00 176.83 176.52 1y4v n LYS 139 N -3.95 4.21 0.04 4.77 5.02 -1.26 -4.59 118.16 122.39 1y4v n LYS 139 Ca -0.02 -3.01 0.01 0.00 -2.02 0.00 0.00 58.31 53.27 1y4v n LYS 139 Cb 0.34 -2.07 0.35 0.00 -0.02 0.00 0.00 35.03 33.62 1y4v n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1y4v h TYR 140 N 3.56 0.45 0.00 2.13 0.99 -1.86 -3.46 116.97 118.78 1y4v h TYR 140 Ca 0.00 -0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.69 1y4v h TYR 140 Cb 1.73 -0.13 0.00 0.00 1.00 0.00 0.00 36.73 39.32 1y4v h TYR 140 CO 0.88 0.45 0.00 2.89 -0.00 0.00 0.00 178.16 182.38