#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y5k s LEU 2 N 0.00 4.37 0.49 7.52 1.43 -1.26 -5.03 118.68 126.21 1y5k s LEU 2 Ca 0.00 2.58 0.03 0.00 -1.03 0.00 0.00 54.13 55.71 1y5k s LEU 2 Cb 0.00 -3.57 0.02 0.00 0.03 0.00 0.00 46.19 42.67 1y5k s LEU 2 CO 0.00 -0.89 0.70 -0.94 0.23 0.00 0.00 176.35 175.45 1y5k s SER 3 N 2.04 5.49 0.17 2.29 1.04 -1.26 -4.91 113.70 118.54 1y5k s SER 3 Ca 0.74 -0.06 -0.15 0.00 0.48 0.00 0.00 55.95 56.96 1y5k s SER 3 Cb -0.42 -0.96 0.10 0.00 0.10 0.00 0.00 66.02 64.84 1y5k s SER 3 CO 0.33 -0.95 1.75 -0.65 0.98 0.00 0.00 173.24 174.70 1y5k h PRO 4 N 0.29 0.31 -0.73 4.02 0.11 -2.00 0.59 132.00 134.59 1y5k h PRO 4 Ca -0.43 -0.02 0.15 0.00 0.11 0.00 0.00 66.00 65.82 1y5k h PRO 4 Cb 1.28 -0.07 -0.11 0.00 0.11 0.00 0.00 31.00 32.22 1y5k h PRO 4 CO 0.52 0.20 0.19 0.00 -0.21 0.00 0.00 178.00 178.70 1y5k h ALA 5 N 1.27 0.95 -0.14 -0.75 0.00 -1.99 -0.94 119.26 117.66 1y5k h ALA 5 Ca 0.19 0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.29 1y5k h ALA 5 Cb 0.17 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1y5k h ALA 5 CO -0.19 -0.32 -0.07 -0.44 0.00 0.00 0.00 179.25 178.23 1y5k h ASP 6 N 0.30 -0.24 -0.23 0.00 3.32 -1.27 0.44 116.42 118.73 1y5k h ASP 6 Ca 0.41 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.51 1y5k h ASP 6 Cb 0.68 0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.35 1y5k h ASP 6 CO -0.48 -0.10 0.12 0.11 -1.72 0.00 0.00 179.24 177.17 1y5k h LYS 7 N -0.06 0.32 -0.73 3.56 1.57 -0.63 -0.30 116.57 120.30 1y5k h LYS 7 Ca 0.08 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.85 1y5k h LYS 7 Cb 0.18 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.38 1y5k h LYS 7 CO -0.18 0.31 0.46 1.15 -0.57 0.00 0.00 179.45 180.62 1y5k h THR 8 N 0.25 1.09 -0.42 -0.16 2.02 -1.00 0.42 112.91 115.10 1y5k h THR 8 Ca 0.08 -0.30 0.01 0.00 0.77 0.00 0.00 66.41 66.97 1y5k h THR 8 Cb 0.09 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.60 1y5k h THR 8 CO -0.01 0.16 0.27 0.78 0.37 0.00 0.00 175.52 177.09 1y5k h ASN 9 N 0.88 0.45 -0.26 4.18 2.35 0.75 -1.12 115.58 122.81 1y5k h ASN 9 Ca 0.30 -0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.98 1y5k h ASN 9 Cb 0.04 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 1y5k h ASN 9 CO -0.12 0.32 -0.06 0.58 -1.65 0.00 0.00 177.43 176.50 1y5k h VAL 10 N 0.54 1.28 -0.62 2.81 2.07 -0.15 -0.82 116.25 121.35 1y5k h VAL 10 Ca 0.16 -1.08 0.04 0.00 0.82 0.00 0.00 66.70 66.64 1y5k h VAL 10 Cb -0.03 1.46 -0.05 0.00 -1.52 0.00 0.00 31.29 31.15 1y5k h VAL 10 CO -0.05 0.34 0.36 0.11 0.02 0.00 0.00 177.57 178.35 1y5k h LYS 11 N 0.25 0.67 -0.08 1.57 1.57 -0.09 -0.59 116.57 119.87 1y5k h LYS 11 Ca 0.07 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1y5k h LYS 11 Cb 0.54 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 1y5k h LYS 11 CO 0.03 0.45 -0.01 0.00 -0.57 0.00 0.00 179.45 179.34 1y5k h ALA 12 N 1.30 0.10 -0.63 3.86 0.00 -0.85 0.33 119.26 123.38 1y5k h ALA 12 Ca 0.26 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1y5k h ALA 12 Cb 0.10 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1y5k h ALA 12 CO -0.14 -0.20 0.23 0.00 0.00 0.00 0.00 179.25 179.14 1y5k h ALA 13 N 0.71 0.82 0.00 0.00 0.00 -1.14 -2.31 119.26 117.33 1y5k h ALA 13 Ca 0.02 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1y5k h ALA 13 Cb 0.37 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1y5k h ALA 13 CO 0.01 0.45 -0.23 2.35 0.00 0.00 0.00 179.25 181.83 1y5k h TRP 14 N 0.88 0.00 -0.49 0.00 2.91 -1.00 -2.38 115.95 115.88 1y5k h TRP 14 Ca 0.21 0.00 -0.03 0.00 1.13 0.00 0.00 58.89 60.20 1y5k h TRP 14 Cb 0.24 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 28.87 1y5k h TRP 14 CO 0.02 0.23 0.20 0.78 -1.03 0.00 0.00 178.44 178.64 1y5k h GLY 15 N 1.23 0.75 1.31 2.65 0.00 -0.35 -1.95 103.07 106.71 1y5k h GLY 15 Ca -0.00 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.96 1y5k h GLY 15 CO 0.03 0.35 -0.18 0.28 0.00 0.00 0.00 176.54 177.02 1y5k n LYS 16 N -4.35 0.26 -0.02 4.80 4.76 -0.90 -3.26 118.16 119.45 1y5k n LYS 16 Ca 0.04 -0.09 -0.13 0.00 -2.87 0.00 0.00 58.31 55.26 1y5k n LYS 16 Cb 0.15 -1.50 -0.10 0.00 -1.84 0.00 0.00 35.03 31.74 1y5k n LYS 16 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1y5k h VAL 17 N 0.21 1.41 0.00 -0.18 2.07 -1.30 -3.46 116.25 115.00 1y5k h VAL 17 Ca 0.00 -1.35 0.00 0.00 0.82 0.00 0.00 66.70 66.17 1y5k h VAL 17 Cb 0.45 2.32 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 1y5k h VAL 17 CO 0.00 0.35 0.00 0.61 0.02 0.00 0.00 177.57 178.55 1y5k n GLY 18 N 0.50 3.62 0.00 2.17 0.00 -1.16 -1.79 105.19 108.53 1y5k n GLY 18 Ca -0.09 0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.11 1y5k n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y5k n ALA 19 N 11.57 2.25 1.22 4.61 0.00 -1.26 -3.06 120.51 135.83 1y5k n ALA 19 Ca 0.00 -0.12 0.13 0.00 0.00 0.00 0.00 53.44 53.45 1y5k n ALA 19 Cb 0.00 -1.38 0.32 0.00 0.00 0.00 0.00 19.45 18.39 1y5k n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1y5k n HIS 20 N -1.20 0.00 -0.29 0.00 8.25 -0.74 -4.56 115.22 116.68 1y5k n HIS 20 Ca 0.13 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.57 1y5k n HIS 20 Cb 0.15 -0.09 0.04 0.00 1.12 0.00 0.00 29.99 31.22 1y5k n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1y5k h ALA 21 N 3.78 0.16 -0.20 -1.41 0.00 -1.68 0.18 119.26 120.10 1y5k h ALA 21 Ca 0.00 0.24 0.06 0.00 0.00 0.00 0.00 54.91 55.21 1y5k h ALA 21 Cb 0.56 0.84 -0.07 0.00 0.00 0.00 0.00 17.79 19.12 1y5k h ALA 21 CO 0.00 -0.60 -0.28 0.78 0.00 0.00 0.00 179.25 179.16 1y5k h GLY 22 N -0.07 -0.28 1.51 0.00 0.00 -1.85 0.21 103.07 102.60 1y5k h GLY 22 Ca 0.31 0.34 0.01 0.00 0.00 0.00 0.00 47.33 48.00 1y5k h GLY 22 CO -0.84 -0.21 0.32 0.83 0.00 0.00 0.00 176.54 176.64 1y5k h GLU 23 N -0.31 0.61 -0.03 4.80 5.08 -1.43 0.24 114.58 123.55 1y5k h GLU 23 Ca 0.12 -0.04 -0.19 0.00 -1.00 0.00 0.00 59.36 58.26 1y5k h GLU 23 Cb 0.50 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1y5k h GLU 23 CO -0.38 0.40 -0.81 1.88 -1.00 0.00 0.00 179.01 179.11 1y5k h TYR 24 N 0.63 0.39 -0.59 4.33 -1.99 0.13 -1.76 116.97 118.10 1y5k h TYR 24 Ca 0.18 -0.19 -0.10 0.00 2.00 0.00 0.00 58.73 60.62 1y5k h TYR 24 Cb -0.04 -0.05 -0.02 0.00 2.00 0.00 0.00 36.73 38.61 1y5k h TYR 24 CO -0.00 0.97 -0.02 0.78 -0.00 0.00 0.00 178.16 179.89 1y5k h GLY 25 N 1.58 1.13 1.29 3.88 0.00 0.19 -0.45 103.07 110.70 1y5k h GLY 25 Ca -0.04 -0.84 -0.10 0.00 0.00 0.00 0.00 47.33 46.35 1y5k h GLY 25 CO 0.13 0.78 -0.10 0.00 0.00 0.00 0.00 176.54 177.35 1y5k h ALA 26 N 0.97 0.96 -0.22 3.60 0.00 -0.90 -2.41 119.26 121.26 1y5k h ALA 26 Ca 0.16 -0.32 -0.14 0.00 0.00 0.00 0.00 54.91 54.62 1y5k h ALA 26 Cb 0.57 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1y5k h ALA 26 CO 0.03 0.62 -0.43 1.49 0.00 0.00 0.00 179.25 180.96 1y5k h GLU 27 N 0.76 0.53 -0.49 0.00 4.81 -1.01 -2.13 114.58 117.05 1y5k h GLU 27 Ca 0.13 -0.28 -0.04 0.00 -0.13 0.00 0.00 59.36 59.04 1y5k h GLU 27 Cb 0.59 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 1y5k h GLU 27 CO 0.04 0.87 0.17 0.00 -0.73 0.00 0.00 179.01 179.35 1y5k h ALA 28 N 1.10 0.64 -0.52 2.92 0.00 -0.90 0.32 119.26 122.82 1y5k h ALA 28 Ca 0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1y5k h ALA 28 Cb 0.93 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1y5k h ALA 28 CO 0.08 0.28 0.29 -0.07 0.00 0.00 0.00 179.25 179.83 1y5k h LEU 29 N 0.65 0.64 -0.38 0.00 3.38 -1.28 0.11 115.31 118.44 1y5k h LEU 29 Ca 0.16 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1y5k h LEU 29 Cb 0.25 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1y5k h LEU 29 CO -0.01 0.54 0.16 -0.08 0.09 0.00 0.00 178.44 179.14 1y5k h GLU 30 N 0.69 0.56 -0.92 1.13 4.81 -1.05 0.59 114.58 120.39 1y5k h GLU 30 Ca 0.18 -0.10 0.06 0.00 -0.13 0.00 0.00 59.36 59.38 1y5k h GLU 30 Cb 0.03 -0.09 -0.06 0.00 0.63 0.00 0.00 28.75 29.26 1y5k h GLU 30 CO -0.03 0.53 0.60 0.00 -0.73 0.00 0.00 179.01 179.37 1y5k h ARG 31 N 0.47 1.02 -0.58 1.92 3.08 -0.51 -2.07 114.38 117.71 1y5k h ARG 31 Ca 0.13 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.04 1y5k h ARG 31 Cb 0.17 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 1y5k h ARG 31 CO -0.01 0.68 0.07 1.98 -1.07 0.00 0.00 179.97 181.62 1y5k h MET 32 N 1.05 0.98 -0.52 0.04 4.05 0.19 -1.44 114.93 119.29 1y5k h MET 32 Ca 0.40 -0.27 -0.06 0.00 -0.28 0.00 0.00 59.70 59.49 1y5k h MET 32 Cb 0.19 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 30.87 1y5k h MET 32 CO -0.15 0.94 0.10 0.74 0.23 0.00 0.00 176.91 178.77 1y5k h PHE 33 N 0.87 0.89 0.04 1.39 0.04 0.62 -1.11 116.94 119.69 1y5k h PHE 33 Ca 0.17 -0.12 -0.23 0.00 2.80 0.00 0.00 57.97 60.60 1y5k h PHE 33 Cb 0.45 -0.25 -0.00 0.00 2.20 0.00 0.00 35.95 38.35 1y5k h PHE 33 CO 0.03 0.80 -1.02 -0.07 -0.60 0.00 0.00 178.31 177.45 1y5k h LEU 34 N 0.73 0.35 0.11 1.54 3.38 -1.40 -3.16 115.31 116.87 1y5k h LEU 34 Ca 0.16 -0.32 -0.29 0.00 0.09 0.00 0.00 57.88 57.52 1y5k h LEU 34 Cb 0.37 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1y5k h LEU 34 CO 0.01 1.17 -1.44 0.28 0.09 0.00 0.00 178.44 178.54 1y5k h SER 35 N 0.11 0.36 -2.52 -0.43 0.02 -1.21 -3.40 113.55 106.49 1y5k h SER 35 Ca -0.08 -0.46 -0.60 0.00 -0.84 0.00 0.00 61.79 59.81 1y5k h SER 35 Cb 1.70 -0.12 -0.41 0.00 0.14 0.00 0.00 62.40 63.72 1y5k h SER 35 CO 0.16 1.38 -0.77 0.49 -1.14 0.00 0.00 176.83 176.96 1y5k n PHE 36 N -3.45 1.72 0.27 3.45 3.72 -0.43 -4.98 117.46 117.77 1y5k n PHE 36 Ca -0.14 -3.90 0.17 0.00 -0.05 0.00 0.00 57.45 53.53 1y5k n PHE 36 Cb 1.03 -0.34 0.84 0.00 -0.94 0.00 0.00 39.48 40.07 1y5k n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1y5k h PRO 37 N 4.94 0.00 0.00 -1.08 0.11 -1.73 0.65 132.00 134.89 1y5k h PRO 37 Ca 0.18 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 1y5k h PRO 37 Cb 0.79 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.90 1y5k h PRO 37 CO 0.62 0.00 -0.07 1.79 -0.21 0.00 0.00 178.00 180.13 1y5k h THR 38 N 0.00 0.39 0.00 -1.15 1.35 -1.92 -1.59 112.91 109.99 1y5k h THR 38 Ca 0.05 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 1y5k h THR 38 Cb 0.68 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 1y5k h THR 38 CO -0.00 0.06 0.00 0.71 -0.25 0.00 0.00 175.52 176.04 1y5k h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.18 -2.36 112.91 117.54 1y5k h THR 39 Ca -0.00 -0.15 -0.02 0.00 -0.55 0.00 0.00 66.41 65.68 1y5k h THR 39 Cb 0.24 0.83 -0.00 0.00 -1.73 0.00 0.00 68.15 67.49 1y5k h THR 39 CO 0.01 0.00 -0.12 0.11 -0.25 0.00 0.00 175.52 175.27 1y5k h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.48 -2.81 116.57 118.57 1y5k h LYS 40 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1y5k h LYS 40 Cb 0.21 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 1y5k h LYS 40 CO 0.00 0.12 -0.00 1.79 -0.57 0.00 0.00 179.45 180.79 1y5k h THR 41 N 0.00 0.13 -0.00 -0.16 1.35 -1.63 -1.80 112.91 110.81 1y5k h THR 41 Ca -0.00 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 1y5k h THR 41 Cb 0.32 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 1y5k h THR 41 CO 0.02 0.00 -0.14 -1.22 -0.25 0.00 0.00 175.52 173.93 1y5k n TYR 42 N -3.27 0.00 -2.78 4.73 4.01 -1.06 -4.03 117.16 114.76 1y5k n TYR 42 Ca -0.03 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.52 1y5k n TYR 42 Cb 0.08 -0.27 -0.00 0.00 -0.31 0.00 0.00 39.34 38.84 1y5k n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1y5k n PHE 43 N -1.19 2.14 0.30 -0.72 3.01 -0.68 -4.88 117.46 115.45 1y5k n PHE 43 Ca 0.11 -3.34 0.13 0.00 1.01 0.00 0.00 57.45 55.36 1y5k n PHE 43 Cb 0.30 -0.33 0.59 0.00 -0.01 0.00 0.00 39.48 40.03 1y5k n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1y5k h PRO 44 N 2.88 0.00 -0.22 -1.08 0.13 -1.70 -2.05 132.00 129.96 1y5k h PRO 44 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1y5k h PRO 44 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1y5k h PRO 44 CO 0.66 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 176.04 1y5k n HIS 45 N -2.38 0.29 -4.05 1.56 1.44 -1.26 -4.94 115.22 105.87 1y5k n HIS 45 Ca 0.00 -0.15 -0.28 0.00 -2.01 0.00 0.00 57.72 55.29 1y5k n HIS 45 Cb 0.16 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.21 1y5k n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1y5k s PHE 46 N -1.71 3.20 -0.37 -1.40 0.40 -0.77 -5.03 117.98 112.30 1y5k s PHE 46 Ca 0.28 0.04 -0.26 0.00 -0.60 0.00 0.00 56.93 56.40 1y5k s PHE 46 Cb 0.15 -1.57 0.01 0.00 0.51 0.00 0.00 43.02 42.12 1y5k s PHE 46 CO 0.22 0.52 0.92 0.34 0.70 0.00 0.00 175.22 177.92 1y5k s ASP 47 N -2.82 6.67 -0.23 1.36 -1.08 -1.26 -4.92 116.67 114.39 1y5k s ASP 47 Ca 0.31 0.57 0.14 0.00 -0.52 0.00 0.00 52.55 53.05 1y5k s ASP 47 Cb -0.11 -2.46 0.81 0.00 -1.46 0.00 0.00 42.92 39.70 1y5k s ASP 47 CO 0.23 -0.85 1.74 0.18 0.52 0.00 0.00 175.17 177.00 1y5k n LEU 48 N 6.75 5.67 -4.83 -1.34 4.77 -1.26 -4.47 117.00 122.29 1y5k n LEU 48 Ca 0.07 -2.93 -0.31 0.00 -0.03 0.00 0.00 56.01 52.81 1y5k n LEU 48 Cb 0.48 -0.68 0.04 0.00 -2.33 0.00 0.00 43.42 40.93 1y5k n LEU 48 CO 0.58 0.64 0.71 -0.94 -1.33 0.00 0.00 177.39 177.05 1y5k s SER 49 N -0.84 5.53 0.28 -1.43 1.04 -1.26 -4.94 113.70 112.08 1y5k s SER 49 Ca 0.54 1.56 -0.30 0.00 0.48 0.00 0.00 55.95 58.24 1y5k s SER 49 Cb 0.41 -2.47 -0.10 0.00 0.10 0.00 0.00 66.02 63.96 1y5k s SER 49 CO 0.16 -1.34 1.43 -2.28 0.98 0.00 0.00 173.24 172.18 1y5k s HIS 50 N -3.08 2.97 0.00 5.02 2.46 -1.26 -1.73 115.29 119.67 1y5k s HIS 50 Ca 0.57 1.11 0.00 0.00 0.47 0.00 0.00 55.06 57.21 1y5k s HIS 50 Cb -0.13 -3.82 0.00 0.00 -0.13 0.00 0.00 32.58 28.49 1y5k s HIS 50 CO 0.55 -2.58 0.00 0.41 -2.47 0.00 0.00 174.74 170.65 1y5k n GLY 51 N 1.75 0.92 3.67 1.59 0.00 -1.26 -5.01 105.19 106.85 1y5k n GLY 51 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1y5k n GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1y5k n SER 52 N 0.00 1.48 0.17 1.61 3.41 -0.71 -4.86 113.62 114.72 1y5k n SER 52 Ca 0.00 0.83 0.05 0.00 -0.26 0.00 0.00 58.87 59.49 1y5k n SER 52 Cb 0.00 -1.47 0.12 0.00 -0.26 0.00 0.00 64.21 62.59 1y5k n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1y5k h ALA 53 N 0.59 0.78 -0.53 7.33 0.00 -1.90 -2.84 119.26 122.70 1y5k h ALA 53 Ca -0.50 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 53.98 1y5k h ALA 53 Cb 1.35 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1y5k h ALA 53 CO 0.52 0.47 -0.01 1.96 0.00 0.00 0.00 179.25 182.19 1y5k h GLN 54 N 0.00 0.94 -0.51 0.00 4.20 -1.91 0.02 115.11 117.84 1y5k h GLN 54 Ca -0.00 -0.30 -0.02 0.00 0.06 0.00 0.00 58.65 58.38 1y5k h GLN 54 Cb 1.22 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.89 1y5k h GLN 54 CO 0.05 0.96 0.23 0.28 -0.67 0.00 0.00 178.83 179.68 1y5k h VAL 55 N 0.81 1.20 0.41 -0.54 2.07 -1.76 -0.98 116.25 117.46 1y5k h VAL 55 Ca 0.15 -0.59 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 1y5k h VAL 55 Cb 0.54 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1y5k h VAL 55 CO 0.03 0.23 -0.20 0.11 0.02 0.00 0.00 177.57 177.76 1y5k h LYS 56 N 0.68 -0.53 -0.14 1.57 1.57 -1.39 0.14 116.57 118.47 1y5k h LYS 56 Ca 0.17 0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 1y5k h LYS 56 Cb 0.15 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1y5k h LYS 56 CO -0.02 -0.32 0.03 0.78 -0.57 0.00 0.00 179.45 179.35 1y5k h GLY 57 N -0.60 0.21 1.64 3.86 0.00 -0.81 -1.00 103.07 106.38 1y5k h GLY 57 Ca -0.06 -0.09 -0.27 0.00 0.00 0.00 0.00 47.33 46.92 1y5k h GLY 57 CO 0.09 0.09 -1.24 0.84 0.00 0.00 0.00 176.54 176.32 1y5k h HIS 58 N 0.20 0.42 -0.48 5.60 -0.00 -0.89 -2.99 115.15 117.01 1y5k h HIS 58 Ca 0.05 -0.31 0.10 0.00 -0.00 0.00 0.00 60.37 60.21 1y5k h HIS 58 Cb 0.08 -0.02 -0.09 0.00 -0.00 0.00 0.00 27.41 27.38 1y5k h HIS 58 CO 0.00 1.25 -0.14 0.78 -0.00 0.00 0.00 177.93 179.82 1y5k h GLY 59 N 1.79 0.31 1.01 5.26 0.00 0.61 -0.55 103.07 111.50 1y5k h GLY 59 Ca -0.13 0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.38 1y5k h GLY 59 CO 0.19 -0.19 0.48 1.70 0.00 0.00 0.00 176.54 178.72 1y5k h LYS 60 N -0.03 1.11 -0.29 4.80 3.64 -1.39 -0.06 116.57 124.35 1y5k h LYS 60 Ca 0.23 -0.11 0.02 0.00 -1.27 0.00 0.00 60.65 59.52 1y5k h LYS 60 Cb 0.38 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 1y5k h LYS 60 CO -0.51 0.79 0.16 0.87 -2.27 0.00 0.00 179.45 178.48 1y5k h LYS 61 N 1.11 0.31 -0.34 1.90 1.57 -1.28 0.20 116.57 120.04 1y5k h LYS 61 Ca 0.29 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 59.01 1y5k h LYS 61 Cb -0.02 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1y5k h LYS 61 CO -0.05 0.21 0.04 0.28 -0.57 0.00 0.00 179.45 179.36 1y5k h VAL 62 N 0.32 1.24 -0.64 0.50 2.07 -0.74 -2.49 116.25 116.51 1y5k h VAL 62 Ca 0.12 -0.86 0.06 0.00 0.82 0.00 0.00 66.70 66.84 1y5k h VAL 62 Cb 0.02 1.14 -0.06 0.00 -1.52 0.00 0.00 31.29 30.88 1y5k h VAL 62 CO -0.07 0.29 0.33 0.00 0.02 0.00 0.00 177.57 178.14 1y5k h ALA 63 N 0.89 0.85 -0.66 1.67 0.00 -0.75 -1.25 119.26 120.00 1y5k h ALA 63 Ca 0.10 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1y5k h ALA 63 Cb 0.38 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1y5k h ALA 63 CO 0.01 -0.02 0.13 -0.44 0.00 0.00 0.00 179.25 178.93 1y5k h ASP 64 N 0.61 1.02 -0.02 0.00 3.32 -0.43 -0.18 116.42 120.74 1y5k h ASP 64 Ca 0.29 -0.23 -0.09 0.00 0.02 0.00 0.00 57.03 57.02 1y5k h ASP 64 Cb 0.22 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 1y5k h ASP 64 CO -0.20 1.00 -0.24 0.00 -1.72 0.00 0.00 179.24 178.08 1y5k h ALA 65 N 1.12 1.15 -0.01 3.45 0.00 -1.05 -0.52 119.26 123.40 1y5k h ALA 65 Ca 0.20 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1y5k h ALA 65 Cb 0.40 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1y5k h ALA 65 CO 0.01 0.54 0.01 -0.07 0.00 0.00 0.00 179.25 179.73 1y5k h LEU 66 N 0.39 0.01 -0.96 0.00 3.38 -0.64 -1.20 115.31 116.29 1y5k h LEU 66 Ca 0.06 -0.10 0.17 0.00 0.09 0.00 0.00 57.88 58.10 1y5k h LEU 66 Cb 0.64 -0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.29 1y5k h LEU 66 CO 0.05 0.11 0.56 0.74 0.09 0.00 0.00 178.44 179.99 1y5k h THR 67 N -0.08 0.74 -0.26 0.22 2.02 -0.74 0.12 112.91 114.92 1y5k h THR 67 Ca 0.00 -0.26 -0.13 0.00 0.77 0.00 0.00 66.41 66.79 1y5k h THR 67 Cb 0.10 -0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.42 1y5k h THR 67 CO -0.00 0.14 -0.38 -1.13 0.37 0.00 0.00 175.52 174.51 1y5k h ASN 68 N 0.75 0.64 0.06 4.18 -1.24 -0.36 -1.44 115.58 118.17 1y5k h ASN 68 Ca 0.54 -0.28 -0.12 0.00 0.71 0.00 0.00 56.30 57.15 1y5k h ASN 68 Cb 0.77 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 39.63 1y5k h ASN 68 CO -0.36 0.95 -0.41 0.00 -1.29 0.00 0.00 177.43 176.33 1y5k h ALA 69 N 1.08 0.94 -0.31 1.57 0.00 0.09 -0.37 119.26 122.26 1y5k h ALA 69 Ca 0.05 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1y5k h ALA 69 Cb 0.89 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1y5k h ALA 69 CO 0.08 0.63 0.14 0.28 0.00 0.00 0.00 179.25 180.37 1y5k h VAL 70 N 0.37 1.17 0.00 0.00 2.07 -0.36 -0.82 116.25 118.67 1y5k h VAL 70 Ca 0.03 -0.50 -0.09 0.00 0.82 0.00 0.00 66.70 66.97 1y5k h VAL 70 Cb 0.87 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1y5k h VAL 70 CO 0.07 0.18 -0.41 0.00 0.02 0.00 0.00 177.57 177.43 1y5k h ALA 71 N 0.99 1.31 -0.81 1.67 0.00 -1.13 -2.73 119.26 118.56 1y5k h ALA 71 Ca 0.11 -0.38 -0.45 0.00 0.00 0.00 0.00 54.91 54.19 1y5k h ALA 71 Cb 0.15 -0.07 -0.26 0.00 0.00 0.00 0.00 17.79 17.62 1y5k h ALA 71 CO -0.01 0.52 0.43 0.72 0.00 0.00 0.00 179.25 180.91 1y5k n HIS 72 N -4.04 2.54 -0.32 0.00 8.25 -0.16 -4.80 115.22 116.69 1y5k n HIS 72 Ca -0.02 -1.94 0.13 0.00 -0.26 0.00 0.00 57.72 55.63 1y5k n HIS 72 Cb 0.44 -0.87 0.31 0.00 1.12 0.00 0.00 29.99 30.99 1y5k n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1y5k h VAL 73 N 1.04 0.60 -0.00 1.59 3.04 -0.83 0.75 116.25 122.43 1y5k h VAL 73 Ca 0.51 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 66.01 1y5k h VAL 73 Cb 2.27 -0.02 0.00 0.00 -2.01 0.00 0.00 31.29 31.52 1y5k h VAL 73 CO 0.96 0.10 -0.01 0.47 -1.01 0.00 0.00 177.57 178.08 1y5k n ASP 74 N -4.91 0.01 -1.68 3.17 8.00 -1.26 -4.01 116.55 115.88 1y5k n ASP 74 Ca 0.22 0.21 -0.03 0.00 0.71 0.00 0.00 54.79 55.90 1y5k n ASP 74 Cb 0.60 -0.39 0.08 0.00 -0.02 0.00 0.00 41.12 41.39 1y5k n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1y5k n ASP 75 N -1.40 2.28 -0.16 -2.24 2.03 0.26 -4.99 116.55 112.32 1y5k n ASP 75 Ca 0.10 -2.96 -0.05 0.00 0.52 0.00 0.00 54.79 52.40 1y5k n ASP 75 Cb 0.30 -0.41 0.04 0.00 -0.72 0.00 0.00 41.12 40.32 1y5k n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1y5k h MET 76 N 1.65 0.52 -0.76 -0.67 2.86 -1.57 -2.40 114.93 114.55 1y5k h MET 76 Ca -0.00 -0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.63 1y5k h MET 76 Cb 1.42 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 32.92 1y5k h MET 76 CO 0.25 0.34 0.48 -1.35 1.06 0.00 0.00 176.91 177.70 1y5k h PRO 77 N 0.53 0.93 -0.22 -0.22 0.11 -1.94 0.22 132.00 131.42 1y5k h PRO 77 Ca 0.21 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 66.14 1y5k h PRO 77 Cb 0.08 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 30.98 1y5k h PRO 77 CO -0.12 0.61 -0.35 -0.91 -0.21 0.00 0.00 178.00 177.02 1y5k h ASN 78 N 0.95 0.69 0.47 -2.05 4.21 -1.92 -0.63 115.58 117.30 1y5k h ASN 78 Ca 0.30 -0.52 -0.03 0.00 1.21 0.00 0.00 56.30 57.25 1y5k h ASN 78 Cb -0.01 -0.20 -0.00 0.00 -1.12 0.00 0.00 38.32 36.99 1y5k h ASN 78 CO -0.10 1.08 -0.16 0.00 -1.29 0.00 0.00 177.43 176.96 1y5k h ALA 79 N 0.63 1.25 -0.33 -0.83 0.00 -0.85 -2.60 119.26 116.53 1y5k h ALA 79 Ca 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1y5k h ALA 79 Cb 0.94 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1y5k h ALA 79 CO 0.08 0.20 0.00 1.28 0.00 0.00 0.00 179.25 180.81 1y5k n LEU 80 N -3.65 2.86 -0.36 0.00 4.77 0.72 -4.70 117.00 116.65 1y5k n LEU 80 Ca -0.01 -1.90 0.09 0.00 -0.03 0.00 0.00 56.01 54.16 1y5k n LEU 80 Cb 0.29 -0.22 0.27 0.00 -2.33 0.00 0.00 43.42 41.43 1y5k n LEU 80 CO 0.31 0.70 1.22 0.77 -1.33 0.00 0.00 177.39 179.06 1y5k h SER 81 N 2.13 0.87 -0.58 -1.43 4.64 -0.70 0.62 113.55 119.10 1y5k h SER 81 Ca 0.00 0.07 -0.08 0.00 -0.47 0.00 0.00 61.79 61.30 1y5k h SER 81 Cb 0.72 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.68 1y5k h SER 81 CO 0.00 0.41 0.04 0.00 -0.87 0.00 0.00 176.83 176.41 1y5k h ALA 82 N 1.58 0.78 0.00 5.18 0.00 -1.84 -0.09 119.26 124.87 1y5k h ALA 82 Ca 0.53 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 1y5k h ALA 82 Cb 0.64 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1y5k h ALA 82 CO -0.31 0.58 -0.44 -0.07 0.00 0.00 0.00 179.25 179.01 1y5k h LEU 83 N 0.90 0.00 -0.21 0.00 3.38 -1.52 -1.17 115.31 116.69 1y5k h LEU 83 Ca 0.17 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.03 1y5k h LEU 83 Cb 0.50 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1y5k h LEU 83 CO 0.02 0.44 -0.30 -1.28 0.09 0.00 0.00 178.44 177.42 1y5k h SER 84 N 0.00 0.63 -0.01 -0.43 0.87 -0.50 -1.99 113.55 112.11 1y5k h SER 84 Ca -0.00 -0.51 0.00 0.00 -1.23 0.00 0.00 61.79 60.05 1y5k h SER 84 Cb 0.85 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.63 1y5k h SER 84 CO 0.06 1.02 0.01 0.44 -0.53 0.00 0.00 176.83 177.82 1y5k h ASP 85 N 0.26 0.01 -0.74 6.23 3.32 -0.75 -2.29 116.42 122.45 1y5k h ASP 85 Ca 0.02 0.00 0.12 0.00 0.02 0.00 0.00 57.03 57.20 1y5k h ASP 85 Cb 0.87 -0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.33 1y5k h ASP 85 CO 0.07 0.01 0.33 0.25 -1.72 0.00 0.00 179.24 178.18 1y5k h LEU 86 N 0.02 0.37 -0.12 1.55 5.85 -1.01 -1.51 115.31 120.45 1y5k h LEU 86 Ca 0.01 0.09 -0.17 0.00 0.84 0.00 0.00 57.88 58.64 1y5k h LEU 86 Cb -0.00 0.04 0.01 0.00 0.37 0.00 0.00 40.66 41.08 1y5k h LEU 86 CO -0.00 0.17 -0.61 0.45 -0.34 0.00 0.00 178.44 178.11 1y5k h HIS 87 N 0.51 0.84 -0.05 1.25 3.86 -1.23 -1.57 115.15 118.76 1y5k h HIS 87 Ca 0.39 -0.37 -0.09 0.00 -1.16 0.00 0.00 60.37 59.14 1y5k h HIS 87 Cb 0.53 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.86 1y5k h HIS 87 CO -0.14 1.17 -0.40 0.00 0.86 0.00 0.00 177.93 179.43 1y5k h ALA 88 N 0.50 1.24 -0.00 2.45 0.00 -0.95 0.20 119.26 122.71 1y5k h ALA 88 Ca -0.04 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1y5k h ALA 88 Cb 1.25 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1y5k h ALA 88 CO 0.13 0.54 -0.12 0.72 0.00 0.00 0.00 179.25 180.51 1y5k n HIS 89 N -4.05 0.00 0.07 0.00 8.25 -0.61 -4.65 115.22 114.22 1y5k n HIS 89 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1y5k n HIS 89 Cb 0.45 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.56 1y5k n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1y5k n LYS 90 N -0.59 0.00 -0.01 -0.41 4.81 -0.65 -4.87 118.16 116.45 1y5k n LYS 90 Ca 0.02 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.33 1y5k n LYS 90 Cb 0.08 -0.38 -0.00 0.00 0.02 0.00 0.00 35.03 34.75 1y5k n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1y5k h LEU 91 N 0.00 0.75 -1.71 3.14 3.38 -1.47 -3.47 115.31 115.92 1y5k h LEU 91 Ca 0.00 -0.44 -0.47 0.00 0.09 0.00 0.00 57.88 57.06 1y5k h LEU 91 Cb 0.05 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1y5k h LEU 91 CO 0.00 1.20 -0.85 0.54 0.09 0.00 0.00 178.44 179.42 1y5k n ARG 92 N -3.94 -4.16 -2.91 1.13 1.74 0.72 -4.92 116.66 104.32 1y5k n ARG 92 Ca -0.05 0.51 -0.40 0.00 -0.77 0.00 0.00 57.85 57.14 1y5k n ARG 92 Cb 0.67 -4.92 -0.05 0.00 -1.02 0.00 0.00 32.46 27.14 1y5k n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1y5k s VAL 93 N -3.74 4.67 0.28 1.55 1.01 -1.26 -4.99 120.40 117.92 1y5k s VAL 93 Ca 0.11 1.75 -0.29 0.00 0.00 0.00 0.00 61.98 63.55 1y5k s VAL 93 Cb -0.06 -4.17 -0.10 0.00 0.00 0.00 0.00 36.38 32.05 1y5k s VAL 93 CO 0.85 0.35 1.37 -0.62 0.00 0.00 0.00 175.10 177.06 1y5k s ASP 94 N -0.04 6.72 0.41 3.32 -1.08 -1.26 -4.88 116.67 119.87 1y5k s ASP 94 Ca 0.41 2.66 0.15 0.00 -0.52 0.00 0.00 52.55 55.25 1y5k s ASP 94 Cb -0.21 -2.63 1.03 0.00 -1.46 0.00 0.00 42.92 39.64 1y5k s ASP 94 CO 0.25 -0.62 1.88 -0.65 0.52 0.00 0.00 175.17 176.55 1y5k h PRO 95 N 4.38 0.45 -0.36 4.34 0.11 -2.00 -0.36 132.00 138.56 1y5k h PRO 95 Ca -0.47 -0.03 0.11 0.00 0.11 0.00 0.00 66.00 65.72 1y5k h PRO 95 Cb 1.22 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1y5k h PRO 95 CO 0.72 0.30 0.40 0.28 -0.21 0.00 0.00 178.00 179.49 1y5k h VAL 96 N 0.46 0.38 0.00 3.15 2.07 -2.04 -1.52 116.25 118.75 1y5k h VAL 96 Ca 0.43 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.95 1y5k h VAL 96 Cb 0.98 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1y5k h VAL 96 CO -0.16 0.00 0.00 0.78 0.02 0.00 0.00 177.57 178.21 1y5k h ASN 97 N 0.00 0.00 -0.59 0.57 4.21 -1.41 -3.22 115.58 115.14 1y5k h ASN 97 Ca 0.17 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.63 1y5k h ASN 97 Cb 0.97 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.15 1y5k h ASN 97 CO -0.00 0.00 0.18 -0.26 -1.29 0.00 0.00 177.43 176.06 1y5k h PHE 98 N 0.00 0.95 -0.29 1.19 -1.00 -1.46 -1.36 116.94 114.97 1y5k h PHE 98 Ca 0.00 -0.10 0.04 0.00 2.81 0.00 0.00 57.97 60.72 1y5k h PHE 98 Cb 0.72 -0.27 -0.01 0.00 3.61 0.00 0.00 35.95 40.00 1y5k h PHE 98 CO 0.00 0.79 0.19 0.87 -1.61 0.00 0.00 178.31 178.55 1y5k h LYS 99 N 0.83 0.22 -0.02 1.51 1.57 -1.72 -1.01 116.57 117.95 1y5k h LYS 99 Ca 0.19 -0.01 -0.16 0.00 -1.87 0.00 0.00 60.65 58.80 1y5k h LYS 99 Cb 0.29 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.56 1y5k h LYS 99 CO -0.01 0.15 -0.60 -0.07 -0.57 0.00 0.00 179.45 178.35 1y5k h LEU 100 N 0.23 0.57 -0.66 2.94 3.38 -1.39 -2.39 115.31 117.99 1y5k h LEU 100 Ca 0.12 -0.73 -0.06 0.00 0.09 0.00 0.00 57.88 57.30 1y5k h LEU 100 Cb 0.21 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1y5k h LEU 100 CO -0.02 1.22 0.16 0.25 0.09 0.00 0.00 178.44 180.14 1y5k h LEU 101 N -0.03 1.00 -0.37 1.67 5.85 -1.31 -2.28 115.31 119.85 1y5k h LEU 101 Ca -0.07 -0.23 0.03 0.00 0.84 0.00 0.00 57.88 58.45 1y5k h LEU 101 Cb 1.29 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 42.02 1y5k h LEU 101 CO 0.12 0.97 0.18 0.28 -0.34 0.00 0.00 178.44 179.65 1y5k h SER 102 N 0.98 0.25 -0.95 1.25 0.02 -1.22 0.21 113.55 114.10 1y5k h SER 102 Ca 0.21 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.19 1y5k h SER 102 Cb 0.36 -0.02 -0.05 0.00 0.14 0.00 0.00 62.40 62.83 1y5k h SER 102 CO 0.00 0.19 0.63 -0.74 -1.14 0.00 0.00 176.83 175.76 1y5k h HIS 103 N 0.36 1.19 -0.37 3.45 -0.00 -1.28 -0.21 115.15 118.30 1y5k h HIS 103 Ca 0.16 0.03 -0.14 0.00 -0.00 0.00 0.00 60.37 60.41 1y5k h HIS 103 Cb 0.08 -0.40 -0.01 0.00 -0.00 0.00 0.00 27.41 27.08 1y5k h HIS 103 CO -0.11 0.74 -0.35 0.00 -0.00 0.00 0.00 177.93 178.22 1y5k h LEU 105 N 0.70 0.99 -0.52 0.00 -0.00 0.17 -0.71 115.31 115.93 1y5k h LEU 105 Ca 0.07 -0.01 -0.09 0.00 -0.00 0.00 0.00 57.88 57.85 1y5k h LEU 105 Cb 0.91 -0.23 -0.02 0.00 -0.00 0.00 0.00 40.66 41.32 1y5k h LEU 105 CO 0.08 0.68 -0.02 -0.07 -0.00 0.00 0.00 178.44 179.12 1y5k h LEU 106 N 1.15 0.92 -1.23 1.67 3.38 -0.69 -0.10 115.31 120.41 1y5k h LEU 106 Ca 0.36 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1y5k h LEU 106 Cb -0.02 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 1y5k h LEU 106 CO -0.11 1.01 0.05 0.58 0.09 0.00 0.00 178.44 180.06 1y5k h VAL 107 N 0.80 1.19 -0.32 1.22 2.07 -0.95 0.78 116.25 121.04 1y5k h VAL 107 Ca 0.14 -0.72 -0.04 0.00 0.82 0.00 0.00 66.70 66.91 1y5k h VAL 107 Cb 0.55 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1y5k h VAL 107 CO 0.03 0.26 0.05 0.74 0.02 0.00 0.00 177.57 178.67 1y5k h THR 108 N 0.56 1.23 -0.19 2.57 2.02 -0.54 0.34 112.91 118.90 1y5k h THR 108 Ca 0.13 -0.81 -0.01 0.00 0.77 0.00 0.00 66.41 66.48 1y5k h THR 108 Cb 0.28 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 1y5k h THR 108 CO 0.00 0.27 0.07 -0.07 0.37 0.00 0.00 175.52 176.16 1y5k h LEU 109 N 0.35 0.28 -1.21 2.58 3.38 -0.42 -0.26 115.31 120.01 1y5k h LEU 109 Ca 0.10 -0.19 0.05 0.00 0.09 0.00 0.00 57.88 57.93 1y5k h LEU 109 Cb 0.35 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 1y5k h LEU 109 CO 0.01 0.39 0.55 0.00 0.09 0.00 0.00 178.44 179.48 1y5k h ALA 110 N 0.90 1.54 0.00 1.53 0.00 0.85 0.14 119.26 124.21 1y5k h ALA 110 Ca 0.06 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1y5k h ALA 110 Cb 0.21 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1y5k h ALA 110 CO -0.00 0.35 -0.42 0.00 0.00 0.00 0.00 179.25 179.18 1y5k h ALA 111 N 1.53 1.11 0.03 0.00 0.00 0.47 -3.32 119.26 119.07 1y5k h ALA 111 Ca 0.36 -0.38 -0.37 0.00 0.00 0.00 0.00 54.91 54.51 1y5k h ALA 111 Cb 0.15 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 1y5k h ALA 111 CO -0.12 0.52 -2.29 0.72 0.00 0.00 0.00 179.25 178.08 1y5k n HIS 112 N -3.75 0.37 -3.31 0.00 -0.00 0.13 -4.64 115.22 104.01 1y5k n HIS 112 Ca -0.01 0.09 -0.34 0.00 -0.00 0.00 0.00 57.72 57.46 1y5k n HIS 112 Cb 0.49 -1.05 -0.05 0.00 -0.00 0.00 0.00 29.99 29.38 1y5k n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1y5k n LEU 113 N -3.20 4.77 -0.10 2.41 4.77 0.24 -4.96 117.00 120.92 1y5k n LEU 113 Ca -0.38 -5.32 -0.06 0.00 -0.03 0.00 0.00 56.01 50.21 1y5k n LEU 113 Cb 1.04 -0.94 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1y5k n LEU 113 CO 0.34 1.86 0.71 -0.65 -1.33 0.00 0.00 177.39 178.32 1y5k h PRO 114 N 4.88 -0.16 0.00 3.23 0.11 -1.82 -2.10 132.00 136.14 1y5k h PRO 114 Ca 0.19 0.01 -0.09 0.00 0.11 0.00 0.00 66.00 66.23 1y5k h PRO 114 Cb 0.66 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.80 1y5k h PRO 114 CO 1.02 -0.11 -0.41 0.00 -0.21 0.00 0.00 178.00 178.29 1y5k h ALA 115 N 1.03 0.91 0.00 -0.75 0.00 -1.95 -3.23 119.26 115.28 1y5k h ALA 115 Ca 0.18 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1y5k h ALA 115 Cb 0.45 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1y5k h ALA 115 CO -0.47 0.52 -0.13 0.93 0.00 0.00 0.00 179.25 180.10 1y5k h GLU 116 N 0.00 0.00 -2.66 0.00 3.07 -1.81 -3.38 114.58 109.80 1y5k h GLU 116 Ca -0.00 0.00 -0.62 0.00 -0.50 0.00 0.00 59.36 58.23 1y5k h GLU 116 Cb 1.02 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.88 1y5k h GLU 116 CO 0.05 0.06 2.57 0.34 -1.40 0.00 0.00 179.01 180.63 1y5k n PHE 117 N -3.09 2.12 -1.27 4.33 7.35 -0.94 -4.78 117.46 121.18 1y5k n PHE 117 Ca 0.03 -2.72 -0.29 0.00 -0.76 0.00 0.00 57.45 53.72 1y5k n PHE 117 Cb 0.56 -2.07 0.15 0.00 0.35 0.00 0.00 39.48 38.46 1y5k n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1y5k s THR 118 N 0.51 2.42 0.48 -2.13 -4.23 -1.26 -4.77 115.64 106.67 1y5k s THR 118 Ca 0.63 0.14 0.16 0.00 -1.18 0.00 0.00 61.69 61.44 1y5k s THR 118 Cb 0.22 -2.69 0.31 0.00 1.34 0.00 0.00 72.50 71.68 1y5k s THR 118 CO -0.08 -0.18 2.06 -0.65 -0.54 0.00 0.00 174.62 175.23 1y5k h PRO 119 N -1.61 0.18 0.02 3.99 0.11 -1.98 -0.87 132.00 131.84 1y5k h PRO 119 Ca -0.51 -0.01 -0.20 0.00 0.11 0.00 0.00 66.00 65.39 1y5k h PRO 119 Cb 1.30 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 1y5k h PRO 119 CO 0.57 0.12 -0.93 0.00 -0.21 0.00 0.00 178.00 177.56 1y5k h ALA 120 N 1.82 0.47 0.16 -0.75 0.00 -1.96 -2.32 119.26 116.69 1y5k h ALA 120 Ca 0.15 -0.78 -0.30 0.00 0.00 0.00 0.00 54.91 53.98 1y5k h ALA 120 Cb 0.35 -0.10 0.03 0.00 0.00 0.00 0.00 17.79 18.08 1y5k h ALA 120 CO -0.02 1.01 -1.27 0.28 0.00 0.00 0.00 179.25 179.24 1y5k h VAL 121 N 0.06 1.30 -0.08 0.00 2.07 -1.73 -1.76 116.25 116.09 1y5k h VAL 121 Ca -0.04 -2.51 0.04 0.00 0.82 0.00 0.00 66.70 65.01 1y5k h VAL 121 Cb 1.59 2.81 -0.05 0.00 -1.52 0.00 0.00 31.29 34.13 1y5k h VAL 121 CO 0.13 0.76 -0.21 -0.74 0.02 0.00 0.00 177.57 177.53 1y5k h HIS 122 N 0.20 -0.55 -0.38 1.57 6.17 -1.22 0.57 115.15 121.51 1y5k h HIS 122 Ca -0.20 0.02 0.04 0.00 0.71 0.00 0.00 60.37 60.94 1y5k h HIS 122 Cb 1.96 0.26 -0.04 0.00 2.52 0.00 0.00 27.41 32.11 1y5k h HIS 122 CO 0.12 -0.29 0.14 0.00 0.71 0.00 0.00 177.93 178.62 1y5k h ALA 123 N 0.66 0.45 -0.32 5.26 0.00 -1.37 -0.71 119.26 123.22 1y5k h ALA 123 Ca 0.08 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1y5k h ALA 123 Cb 0.41 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1y5k h ALA 123 CO -0.25 -0.24 0.12 0.77 0.00 0.00 0.00 179.25 179.65 1y5k h SER 124 N 0.31 0.45 -0.55 0.00 0.02 -0.37 -2.07 113.55 111.34 1y5k h SER 124 Ca 0.17 -0.18 0.04 0.00 -0.84 0.00 0.00 61.79 60.99 1y5k h SER 124 Cb 0.14 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 1y5k h SER 124 CO -0.16 0.51 0.37 -0.07 -1.14 0.00 0.00 176.83 176.33 1y5k h LEU 125 N 0.37 0.51 -0.13 5.07 3.38 0.57 0.08 115.31 125.15 1y5k h LEU 125 Ca 0.11 -0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.92 1y5k h LEU 125 Cb 0.20 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 40.85 1y5k h LEU 125 CO -0.01 0.34 -0.51 -0.78 0.09 0.00 0.00 178.44 177.58 1y5k h ASP 126 N 0.59 0.67 -0.89 -0.43 3.58 -0.91 -0.84 116.42 118.19 1y5k h ASP 126 Ca 0.23 -0.62 0.02 0.00 0.42 0.00 0.00 57.03 57.08 1y5k h ASP 126 Cb 0.17 -0.20 -0.05 0.00 1.72 0.00 0.00 39.33 40.98 1y5k h ASP 126 CO -0.06 1.18 0.58 0.11 -2.88 0.00 0.00 179.24 178.17 1y5k h LYS 127 N 0.20 1.13 -0.10 0.28 1.57 -1.07 -2.29 116.57 116.28 1y5k h LYS 127 Ca -0.03 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 1y5k h LYS 127 Cb 1.14 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 33.19 1y5k h LYS 127 CO 0.11 0.75 -0.04 0.35 -0.57 0.00 0.00 179.45 180.04 1y5k h PHE 128 N 1.16 0.24 0.00 -1.35 3.57 -0.79 -1.16 116.94 118.61 1y5k h PHE 128 Ca 0.34 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.77 1y5k h PHE 128 Cb -0.07 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 38.61 1y5k h PHE 128 CO -0.01 0.55 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.52 1y5k h LEU 129 N -0.13 0.00 -0.19 0.59 3.38 -1.10 -1.17 115.31 116.69 1y5k h LEU 129 Ca 0.02 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.77 1y5k h LEU 129 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1y5k h LEU 129 CO 0.01 0.03 -0.92 0.00 0.09 0.00 0.00 178.44 177.66 1y5k h ALA 130 N 1.97 0.37 -0.22 1.53 0.00 -1.16 -0.55 119.26 121.21 1y5k h ALA 130 Ca -0.00 -0.69 -0.12 0.00 0.00 0.00 0.00 54.91 54.10 1y5k h ALA 130 Cb 0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1y5k h ALA 130 CO 0.00 0.79 -0.38 0.77 0.00 0.00 0.00 179.25 180.43 1y5k h SER 131 N 0.27 0.51 -0.56 0.00 0.02 -0.76 0.11 113.55 113.14 1y5k h SER 131 Ca -0.08 -0.22 -0.05 0.00 -0.84 0.00 0.00 61.79 60.61 1y5k h SER 131 Cb 1.55 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.92 1y5k h SER 131 CO 0.16 0.85 0.16 0.58 -1.14 0.00 0.00 176.83 177.44 1y5k h VAL 132 N 0.41 1.24 -0.69 2.27 2.07 -1.09 -1.33 116.25 119.13 1y5k h VAL 132 Ca 0.04 -0.84 -0.06 0.00 0.82 0.00 0.00 66.70 66.66 1y5k h VAL 132 Cb 0.85 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1y5k h VAL 132 CO 0.07 0.31 0.21 0.28 0.02 0.00 0.00 177.57 178.47 1y5k h SER 133 N 0.80 1.01 -0.43 0.57 0.02 -0.82 -1.30 113.55 113.40 1y5k h SER 133 Ca 0.18 -0.21 0.03 0.00 -0.84 0.00 0.00 61.79 60.95 1y5k h SER 133 Cb 0.31 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 1y5k h SER 133 CO -0.00 0.95 0.22 0.74 -1.14 0.00 0.00 176.83 177.60 1y5k h THR 134 N 1.02 0.99 -0.65 -2.27 2.02 -0.76 -1.73 112.91 111.53 1y5k h THR 134 Ca 0.22 -0.15 -0.04 0.00 0.77 0.00 0.00 66.41 67.21 1y5k h THR 134 Cb 0.31 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 67.19 1y5k h THR 134 CO -0.01 0.08 0.25 0.58 0.37 0.00 0.00 175.52 176.79 1y5k h VAL 135 N 0.45 1.24 0.00 3.16 2.07 -0.78 -1.63 116.25 120.76 1y5k h VAL 135 Ca 0.18 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1y5k h VAL 135 Cb 0.07 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1y5k h VAL 135 CO -0.12 0.30 0.00 -0.07 0.02 0.00 0.00 177.57 177.71 1y5k h LEU 136 N 0.92 0.00 -2.75 2.57 3.38 -0.80 -2.95 115.31 115.67 1y5k h LEU 136 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1y5k h LEU 136 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1y5k h LEU 136 CO -0.02 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.86 1y5k n THR 137 N -2.87 0.89 0.24 0.22 -2.24 -0.69 -4.54 114.28 105.29 1y5k n THR 137 Ca -0.00 -0.94 0.13 0.00 -2.27 0.00 0.00 64.05 60.97 1y5k n THR 137 Cb 0.21 0.57 0.52 0.00 -2.10 0.00 0.00 70.33 69.53 1y5k n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1y5k h SER 138 N 0.82 0.00 -0.58 3.42 4.64 -1.13 -2.93 113.55 117.79 1y5k h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1y5k h SER 138 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1y5k h SER 138 CO 0.00 0.12 0.00 0.29 -0.87 0.00 0.00 176.83 176.37 1y5k n LYS 139 N -3.24 3.16 -0.12 4.77 5.02 -1.26 -4.65 118.16 121.84 1y5k n LYS 139 Ca 0.01 -2.62 0.12 0.00 -2.02 0.00 0.00 58.31 53.80 1y5k n LYS 139 Cb 0.39 -1.64 0.48 0.00 -0.02 0.00 0.00 35.03 34.24 1y5k n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1y5k h TYR 140 N 3.49 0.49 0.00 2.13 -1.99 -1.84 -3.47 116.97 115.79 1y5k h TYR 140 Ca 0.00 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.74 1y5k h TYR 140 Cb 1.14 -0.16 0.00 0.00 2.00 0.00 0.00 36.73 39.71 1y5k h TYR 140 CO 0.53 0.22 0.00 2.89 -0.00 0.00 0.00 178.16 181.81