#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y4p s LEU 2 N 0.00 4.25 0.68 7.52 1.43 -1.26 -5.04 118.68 126.26 1y4p s LEU 2 Ca 0.00 1.80 -0.07 0.00 -1.03 0.00 0.00 54.13 54.83 1y4p s LEU 2 Cb 0.00 -3.55 0.05 0.00 0.03 0.00 0.00 46.19 42.72 1y4p s LEU 2 CO 0.00 -0.66 1.00 -0.94 0.23 0.00 0.00 176.35 175.98 1y4p s SER 3 N 1.71 5.03 0.17 2.29 1.04 -1.26 -4.89 113.70 117.78 1y4p s SER 3 Ca 0.56 0.58 -0.17 0.00 0.48 0.00 0.00 55.95 57.41 1y4p s SER 3 Cb -0.24 -1.32 0.11 0.00 0.10 0.00 0.00 66.02 64.67 1y4p s SER 3 CO 0.20 -1.47 1.66 -0.65 0.98 0.00 0.00 173.24 173.96 1y4p h PRO 4 N -0.53 -0.01 -0.09 4.02 0.11 -2.00 -1.56 132.00 131.95 1y4p h PRO 4 Ca -0.45 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.60 1y4p h PRO 4 Cb 1.30 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 1y4p h PRO 4 CO 0.61 -0.01 -0.22 0.00 -0.21 0.00 0.00 178.00 178.17 1y4p h ALA 5 N 1.40 1.47 0.11 -0.75 0.00 -1.98 -0.61 119.26 118.90 1y4p h ALA 5 Ca 0.20 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1y4p h ALA 5 Cb 0.32 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1y4p h ALA 5 CO -0.44 0.38 -0.05 -0.44 0.00 0.00 0.00 179.25 178.70 1y4p h ASP 6 N 0.13 -0.12 -0.96 0.00 3.32 -1.69 0.38 116.42 117.48 1y4p h ASP 6 Ca 0.02 -0.09 0.03 0.00 0.02 0.00 0.00 57.03 57.01 1y4p h ASP 6 Cb 0.48 0.03 -0.05 0.00 0.22 0.00 0.00 39.33 40.01 1y4p h ASP 6 CO 0.03 0.02 0.63 0.11 -1.72 0.00 0.00 179.24 178.31 1y4p h LYS 7 N -0.25 1.19 -0.52 3.56 1.57 -0.90 0.16 116.57 121.37 1y4p h LYS 7 Ca -0.01 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.63 1y4p h LYS 7 Cb 0.21 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 1y4p h LYS 7 CO 0.02 0.79 0.06 1.15 -0.57 0.00 0.00 179.45 180.90 1y4p h THR 8 N 1.23 1.26 -0.26 -0.16 2.02 -0.87 -0.18 112.91 115.95 1y4p h THR 8 Ca 0.38 -0.99 -0.02 0.00 0.77 0.00 0.00 66.41 66.55 1y4p h THR 8 Cb -0.02 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 1y4p h THR 8 CO -0.11 0.35 0.08 0.78 0.37 0.00 0.00 175.52 176.99 1y4p h ASN 9 N 0.76 0.37 -0.29 4.18 2.35 0.11 -2.66 115.58 120.40 1y4p h ASN 9 Ca 0.16 -0.20 -0.03 0.00 -0.55 0.00 0.00 56.30 55.68 1y4p h ASN 9 Cb 0.44 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 1y4p h ASN 9 CO 0.02 0.48 0.08 0.58 -1.65 0.00 0.00 177.43 176.94 1y4p h VAL 10 N 0.25 1.21 -0.85 2.81 2.07 -0.57 -1.63 116.25 119.54 1y4p h VAL 10 Ca 0.08 -0.67 0.05 0.00 0.82 0.00 0.00 66.70 66.98 1y4p h VAL 10 Cb 0.24 1.09 -0.06 0.00 -1.52 0.00 0.00 31.29 31.04 1y4p h VAL 10 CO -0.00 0.22 0.53 0.11 0.02 0.00 0.00 177.57 178.45 1y4p h LYS 11 N 0.31 0.96 -0.04 1.57 1.57 -1.02 -0.40 116.57 119.53 1y4p h LYS 11 Ca 0.09 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1y4p h LYS 11 Cb 0.26 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 1y4p h LYS 11 CO -0.00 0.63 -0.03 0.00 -0.57 0.00 0.00 179.45 179.49 1y4p h ALA 12 N 1.39 0.05 -0.11 3.86 0.00 -1.34 -0.18 119.26 122.94 1y4p h ALA 12 Ca 0.36 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1y4p h ALA 12 Cb 0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1y4p h ALA 12 CO -0.16 -0.19 0.07 0.00 0.00 0.00 0.00 179.25 178.97 1y4p h ALA 13 N 0.58 0.14 -0.39 0.00 0.00 -1.10 -2.00 119.26 116.49 1y4p h ALA 13 Ca 0.01 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1y4p h ALA 13 Cb 0.49 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1y4p h ALA 13 CO 0.01 -0.35 0.08 2.35 0.00 0.00 0.00 179.25 181.33 1y4p h TRP 14 N 0.13 0.59 -0.60 0.00 2.91 -1.12 -2.08 115.95 115.78 1y4p h TRP 14 Ca 0.04 -0.04 0.11 0.00 1.13 0.00 0.00 58.89 60.12 1y4p h TRP 14 Cb 0.02 -0.18 -0.08 0.00 -0.51 0.00 0.00 29.16 28.41 1y4p h TRP 14 CO -0.06 0.52 0.17 0.78 -1.03 0.00 0.00 178.44 178.82 1y4p h GLY 15 N 0.81 0.80 2.00 2.65 0.00 -0.30 -1.38 103.07 107.64 1y4p h GLY 15 Ca 0.13 -0.06 -0.05 0.00 0.00 0.00 0.00 47.33 47.34 1y4p h GLY 15 CO -0.00 -0.08 -0.25 0.50 0.00 0.00 0.00 176.54 176.71 1y4p h LYS 16 N 0.31 0.00 -0.03 4.80 1.79 -0.88 -2.85 116.57 119.71 1y4p h LYS 16 Ca 0.31 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.79 1y4p h LYS 16 Cb 0.43 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.08 1y4p h LYS 16 CO -0.36 0.25 -0.01 0.28 -1.08 0.00 0.00 179.45 178.53 1y4p h VAL 17 N 0.00 0.97 0.00 0.50 2.07 -1.01 -3.46 116.25 115.33 1y4p h VAL 17 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1y4p h VAL 17 Cb 0.72 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1y4p h VAL 17 CO 0.03 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.23 1y4p n GLY 18 N -1.10 3.46 0.00 2.17 0.00 -1.08 -1.45 105.19 107.19 1y4p n GLY 18 Ca -0.06 0.11 0.10 0.00 0.00 0.00 0.00 46.02 46.17 1y4p n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y4p n ALA 19 N 11.27 2.09 1.45 4.61 0.00 -1.26 -2.43 120.51 136.24 1y4p n ALA 19 Ca 0.00 -0.10 0.14 0.00 0.00 0.00 0.00 53.44 53.48 1y4p n ALA 19 Cb 0.00 -1.33 0.49 0.00 0.00 0.00 0.00 19.45 18.60 1y4p n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1y4p n HIS 20 N -1.27 0.01 -0.11 0.00 8.25 -0.53 -4.46 115.22 117.11 1y4p n HIS 20 Ca 0.10 -0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.49 1y4p n HIS 20 Cb 0.16 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.27 1y4p n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1y4p h ALA 21 N 4.37 -0.06 -0.76 -1.41 0.00 -1.59 -0.84 119.26 118.98 1y4p h ALA 21 Ca 0.00 0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.07 1y4p h ALA 21 Cb 0.54 0.60 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 1y4p h ALA 21 CO 0.00 -0.65 0.47 0.78 0.00 0.00 0.00 179.25 179.85 1y4p h GLY 22 N -0.21 1.10 1.04 0.00 0.00 -1.84 0.18 103.07 103.34 1y4p h GLY 22 Ca 0.18 -0.35 -0.06 0.00 0.00 0.00 0.00 47.33 47.10 1y4p h GLY 22 CO -0.50 0.27 0.16 0.83 0.00 0.00 0.00 176.54 177.30 1y4p h GLU 23 N 0.90 1.04 -0.37 4.80 5.08 -1.64 -2.16 114.58 122.24 1y4p h GLU 23 Ca 0.31 -0.25 -0.12 0.00 -1.00 0.00 0.00 59.36 58.30 1y4p h GLU 23 Cb 0.07 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1y4p h GLU 23 CO -0.13 0.94 -0.24 1.88 -1.00 0.00 0.00 179.01 180.45 1y4p h TYR 24 N 0.96 0.96 -0.94 4.33 0.05 -0.59 -1.32 116.97 120.42 1y4p h TYR 24 Ca 0.20 -0.26 0.04 0.00 0.05 0.00 0.00 58.73 58.77 1y4p h TYR 24 Cb 0.36 -0.21 -0.06 0.00 1.01 0.00 0.00 36.73 37.83 1y4p h TYR 24 CO 0.03 1.03 0.61 0.78 -1.05 0.00 0.00 178.16 179.55 1y4p h GLY 25 N 0.61 1.37 1.29 3.88 0.00 -0.90 0.11 103.07 109.44 1y4p h GLY 25 Ca 0.07 -0.46 -0.12 0.00 0.00 0.00 0.00 47.33 46.82 1y4p h GLY 25 CO 0.07 0.39 -0.25 0.00 0.00 0.00 0.00 176.54 176.75 1y4p h ALA 26 N 1.39 0.82 -0.44 3.60 0.00 -1.25 -2.17 119.26 121.21 1y4p h ALA 26 Ca 0.38 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1y4p h ALA 26 Cb 0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1y4p h ALA 26 CO -0.13 0.64 0.10 1.49 0.00 0.00 0.00 179.25 181.36 1y4p h GLU 27 N 0.70 0.71 -0.93 0.00 4.81 -0.41 -1.88 114.58 117.58 1y4p h GLU 27 Ca 0.09 -0.18 0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1y4p h GLU 27 Cb 0.78 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 30.02 1y4p h GLU 27 CO 0.06 0.72 0.62 0.00 -0.73 0.00 0.00 179.01 179.68 1y4p h ALA 28 N 0.96 1.34 -0.35 2.92 0.00 -0.67 0.31 119.26 123.77 1y4p h ALA 28 Ca 0.14 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1y4p h ALA 28 Cb 0.33 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1y4p h ALA 28 CO 0.00 0.61 0.14 -0.07 0.00 0.00 0.00 179.25 179.93 1y4p h LEU 29 N 1.25 0.48 -0.62 0.00 3.38 -1.18 -0.63 115.31 117.99 1y4p h LEU 29 Ca 0.34 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 1y4p h LEU 29 Cb -0.13 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 1y4p h LEU 29 CO -0.08 0.52 0.20 -0.08 0.09 0.00 0.00 178.44 179.09 1y4p h GLU 30 N 0.42 0.97 -0.43 1.13 4.81 -0.79 -0.85 114.58 119.84 1y4p h GLU 30 Ca 0.12 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1y4p h GLU 30 Cb 0.19 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 1y4p h GLU 30 CO -0.01 0.86 0.28 0.00 -0.73 0.00 0.00 179.01 179.40 1y4p h ARG 31 N 0.90 0.57 -0.21 1.92 3.08 -0.78 -2.52 114.38 117.34 1y4p h ARG 31 Ca 0.20 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.23 1y4p h ARG 31 Cb 0.29 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 1y4p h ARG 31 CO -0.01 0.39 0.07 1.98 -1.07 0.00 0.00 179.97 181.33 1y4p h MET 32 N 0.58 0.16 -0.60 0.04 4.05 -0.62 0.55 114.93 119.09 1y4p h MET 32 Ca 0.16 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.54 1y4p h MET 32 Cb -0.05 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 30.68 1y4p h MET 32 CO -0.03 0.11 0.28 0.74 0.23 0.00 0.00 176.91 178.24 1y4p h PHE 33 N 0.17 0.84 0.23 1.39 0.04 -1.12 0.36 116.94 118.84 1y4p h PHE 33 Ca 0.09 -0.03 -0.30 0.00 2.80 0.00 0.00 57.97 60.53 1y4p h PHE 33 Cb 0.06 -0.27 0.03 0.00 2.20 0.00 0.00 35.95 37.98 1y4p h PHE 33 CO -0.12 0.62 -1.35 -0.07 -0.60 0.00 0.00 178.31 176.79 1y4p h LEU 34 N 0.85 0.75 -0.19 1.54 3.38 -1.35 -3.18 115.31 117.11 1y4p h LEU 34 Ca 0.21 -0.93 -0.22 0.00 0.09 0.00 0.00 57.88 57.03 1y4p h LEU 34 Cb 0.09 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1y4p h LEU 34 CO -0.03 1.65 -0.95 0.28 0.09 0.00 0.00 178.44 179.48 1y4p h SER 35 N 0.02 0.36 -2.43 -0.43 0.02 -0.75 -3.39 113.55 106.94 1y4p h SER 35 Ca -0.24 -0.30 -0.59 0.00 -0.84 0.00 0.00 61.79 59.82 1y4p h SER 35 Cb 2.04 -0.11 -0.40 0.00 0.14 0.00 0.00 62.40 64.07 1y4p h SER 35 CO 0.24 1.12 -0.84 0.49 -1.14 0.00 0.00 176.83 176.70 1y4p n PHE 36 N -3.66 1.05 0.33 3.45 3.72 0.12 -4.99 117.46 117.48 1y4p n PHE 36 Ca -0.05 -3.77 0.21 0.00 -0.05 0.00 0.00 57.45 53.79 1y4p n PHE 36 Cb 0.85 -0.25 1.12 0.00 -0.94 0.00 0.00 39.48 40.26 1y4p n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1y4p h PRO 37 N 4.93 0.00 0.00 -1.08 0.11 -1.72 -0.28 132.00 133.97 1y4p h PRO 37 Ca 0.18 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.28 1y4p h PRO 37 Cb 0.82 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.93 1y4p h PRO 37 CO 0.56 0.00 -0.05 1.79 -0.21 0.00 0.00 178.00 180.09 1y4p h THR 38 N 0.00 0.34 0.00 -1.15 1.35 -1.91 -1.58 112.91 109.96 1y4p h THR 38 Ca 0.00 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 1y4p h THR 38 Cb 0.15 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 67.79 1y4p h THR 38 CO -0.00 0.05 0.00 0.71 -0.25 0.00 0.00 175.52 176.03 1y4p h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.36 -2.54 112.91 117.18 1y4p h THR 39 Ca -0.00 -0.33 -0.01 0.00 -0.55 0.00 0.00 66.41 65.52 1y4p h THR 39 Cb 0.21 1.28 -0.00 0.00 -1.73 0.00 0.00 68.15 67.91 1y4p h THR 39 CO 0.01 0.00 -0.04 0.11 -0.25 0.00 0.00 175.52 175.35 1y4p h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.47 -2.88 116.57 118.51 1y4p h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1y4p h LYS 40 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1y4p h LYS 40 CO 0.00 0.04 0.05 1.79 -0.57 0.00 0.00 179.45 180.76 1y4p h THR 41 N 0.00 0.00 -0.01 -0.16 1.35 -1.63 -0.68 112.91 111.78 1y4p h THR 41 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1y4p h THR 41 Cb 0.42 0.75 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 1y4p h THR 41 CO 0.01 0.00 -0.33 -1.22 -0.25 0.00 0.00 175.52 173.72 1y4p n TYR 42 N -2.73 0.00 -2.55 4.73 4.01 -1.09 -4.28 117.16 115.24 1y4p n TYR 42 Ca -0.02 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.56 1y4p n TYR 42 Cb 0.11 -0.10 0.02 0.00 -0.31 0.00 0.00 39.34 39.06 1y4p n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1y4p n PHE 43 N -0.57 2.12 0.30 -0.72 3.01 -0.26 -4.88 117.46 116.46 1y4p n PHE 43 Ca 0.11 -2.77 0.17 0.00 1.01 0.00 0.00 57.45 55.98 1y4p n PHE 43 Cb 0.37 -0.25 0.77 0.00 -0.01 0.00 0.00 39.48 40.36 1y4p n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1y4p h PRO 44 N 2.72 0.00 -0.03 -1.08 0.13 -1.74 -1.65 132.00 130.35 1y4p h PRO 44 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1y4p h PRO 44 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1y4p h PRO 44 CO 0.61 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 175.99 1y4p n HIS 45 N -2.93 0.03 -3.77 1.56 1.44 -1.26 -4.89 115.22 105.39 1y4p n HIS 45 Ca -0.00 -0.01 -0.32 0.00 -2.01 0.00 0.00 57.72 55.37 1y4p n HIS 45 Cb 0.24 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.30 1y4p n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1y4p s PHE 46 N -1.97 3.52 -0.20 -1.40 0.40 -0.62 -5.04 117.98 112.67 1y4p s PHE 46 Ca 0.40 0.48 -0.28 0.00 -0.60 0.00 0.00 56.93 56.92 1y4p s PHE 46 Cb 0.20 -1.93 0.00 0.00 0.51 0.00 0.00 43.02 41.80 1y4p s PHE 46 CO 0.33 0.54 0.99 0.34 0.70 0.00 0.00 175.22 178.11 1y4p s ASP 47 N -2.20 7.08 0.00 1.36 2.15 -1.26 -4.91 116.67 118.89 1y4p s ASP 47 Ca 0.35 1.35 0.18 0.00 0.43 0.00 0.00 52.55 54.85 1y4p s ASP 47 Cb -0.13 -2.52 0.31 0.00 -0.30 0.00 0.00 42.92 40.28 1y4p s ASP 47 CO 0.23 -0.58 1.24 0.18 -0.17 0.00 0.00 175.17 176.06 1y4p n LEU 48 N 5.92 2.99 -4.62 -1.34 4.77 -1.26 -4.52 117.00 118.94 1y4p n LEU 48 Ca 0.10 -1.47 -0.30 0.00 -0.03 0.00 0.00 56.01 54.30 1y4p n LEU 48 Cb 0.47 -0.18 0.19 0.00 -2.33 0.00 0.00 43.42 41.57 1y4p n LEU 48 CO 0.51 0.65 0.63 -1.54 -1.33 0.00 0.00 177.39 176.31 1y4p n SER 49 N 1.09 -0.19 -4.73 -1.43 3.41 -1.26 -4.87 113.62 105.63 1y4p n SER 49 Ca 0.15 0.27 -0.42 0.00 -0.26 0.00 0.00 58.87 58.61 1y4p n SER 49 Cb 0.50 -1.42 -0.02 0.00 -0.26 0.00 0.00 64.21 63.00 1y4p n SER 49 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1y4p s HIS 50 N -2.58 2.95 -0.28 7.33 2.46 -1.26 -2.52 115.29 121.39 1y4p s HIS 50 Ca 0.67 0.72 0.00 0.00 0.47 0.00 0.00 55.06 56.92 1y4p s HIS 50 Cb -0.24 -3.97 0.00 0.00 -0.13 0.00 0.00 32.58 28.25 1y4p s HIS 50 CO 0.60 -3.41 0.00 0.41 -2.47 0.00 0.00 174.74 169.87 1y4p n GLY 51 N 3.01 0.57 3.75 1.59 0.00 -1.26 -5.00 105.19 107.86 1y4p n GLY 51 Ca 0.11 -0.35 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 1y4p n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y4p s SER 52 N -2.41 5.08 0.42 1.61 1.04 -1.05 -4.90 113.70 113.50 1y4p s SER 52 Ca 0.00 2.39 0.23 0.00 0.48 0.00 0.00 55.95 59.05 1y4p s SER 52 Cb 0.00 -2.60 0.78 0.00 0.10 0.00 0.00 66.02 64.30 1y4p s SER 52 CO 0.00 -1.66 1.76 0.00 0.98 0.00 0.00 173.24 174.32 1y4p h ALA 53 N 0.77 0.97 -0.37 5.32 0.00 -1.92 -2.35 119.26 121.67 1y4p h ALA 53 Ca -0.50 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.06 1y4p h ALA 53 Cb 1.30 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1y4p h ALA 53 CO 0.55 0.30 -0.28 1.96 0.00 0.00 0.00 179.25 181.78 1y4p h GLN 54 N 0.00 0.84 -0.33 0.00 4.20 -1.91 0.60 115.11 118.50 1y4p h GLN 54 Ca -0.00 -0.41 -0.07 0.00 0.06 0.00 0.00 58.65 58.23 1y4p h GLN 54 Cb 0.84 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.61 1y4p h GLN 54 CO 0.03 1.05 -0.06 0.28 -0.67 0.00 0.00 178.83 179.47 1y4p h VAL 55 N 0.64 1.27 -0.08 -0.54 2.07 -1.76 0.03 116.25 117.88 1y4p h VAL 55 Ca 0.07 -1.09 0.01 0.00 0.82 0.00 0.00 66.70 66.51 1y4p h VAL 55 Cb 0.86 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 1y4p h VAL 55 CO 0.07 0.35 0.01 0.11 0.02 0.00 0.00 177.57 178.13 1y4p h LYS 56 N 0.41 0.04 -0.47 1.57 1.57 -1.34 0.16 116.57 118.51 1y4p h LYS 56 Ca 0.09 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.89 1y4p h LYS 56 Cb 0.54 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.81 1y4p h LYS 56 CO 0.03 0.02 0.27 0.78 -0.57 0.00 0.00 179.45 179.98 1y4p h GLY 57 N 0.04 0.65 1.53 3.86 0.00 -0.61 -1.77 103.07 106.77 1y4p h GLY 57 Ca 0.03 -0.20 -0.10 0.00 0.00 0.00 0.00 47.33 47.07 1y4p h GLY 57 CO -0.05 0.16 -0.25 0.84 0.00 0.00 0.00 176.54 177.23 1y4p h HIS 58 N 0.53 0.61 -0.87 5.60 -0.00 -0.47 -2.41 115.15 118.15 1y4p h HIS 58 Ca 0.19 -0.13 0.06 0.00 -0.00 0.00 0.00 60.37 60.48 1y4p h HIS 58 Cb 0.04 -0.15 -0.05 0.00 -0.00 0.00 0.00 27.41 27.25 1y4p h HIS 58 CO -0.08 0.75 0.57 0.78 -0.00 0.00 0.00 177.93 179.95 1y4p h GLY 59 N 1.01 1.24 0.88 5.26 0.00 0.14 -1.04 103.07 110.58 1y4p h GLY 59 Ca 0.07 -0.40 -0.06 0.00 0.00 0.00 0.00 47.33 46.93 1y4p h GLY 59 CO 0.05 0.31 -0.06 1.70 0.00 0.00 0.00 176.54 178.54 1y4p h LYS 60 N 1.00 0.56 -0.15 4.80 3.64 -0.91 -1.94 116.57 123.57 1y4p h LYS 60 Ca 0.36 -0.21 0.03 0.00 -1.27 0.00 0.00 60.65 59.57 1y4p h LYS 60 Cb 0.16 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 1y4p h LYS 60 CO -0.13 0.75 -0.02 0.87 -2.27 0.00 0.00 179.45 178.65 1y4p h LYS 61 N 0.32 0.02 0.01 1.90 1.57 -1.01 0.91 116.57 120.30 1y4p h LYS 61 Ca 0.08 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1y4p h LYS 61 Cb 0.53 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1y4p h LYS 61 CO 0.03 0.02 -0.00 0.28 -0.57 0.00 0.00 179.45 179.20 1y4p h VAL 62 N 0.02 1.04 -0.85 0.50 2.07 -1.23 -1.14 116.25 116.66 1y4p h VAL 62 Ca 0.07 -0.14 0.04 0.00 0.82 0.00 0.00 66.70 67.49 1y4p h VAL 62 Cb 0.10 1.14 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 1y4p h VAL 62 CO -0.14 0.04 0.56 0.00 0.02 0.00 0.00 177.57 178.05 1y4p h ALA 63 N 0.93 1.49 -0.19 1.67 0.00 -1.19 -1.40 119.26 120.56 1y4p h ALA 63 Ca -0.00 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 1y4p h ALA 63 Cb 0.07 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1y4p h ALA 63 CO 0.00 0.41 -0.51 -0.44 0.00 0.00 0.00 179.25 178.71 1y4p h ASP 64 N 1.04 0.59 0.31 0.00 3.32 -0.32 -1.46 116.42 119.90 1y4p h ASP 64 Ca 0.35 -0.30 -0.08 0.00 0.02 0.00 0.00 57.03 57.01 1y4p h ASP 64 Cb 0.07 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 1y4p h ASP 64 CO -0.11 1.00 -0.36 0.00 -1.72 0.00 0.00 179.24 178.05 1y4p h ALA 65 N 1.02 1.33 -0.31 3.45 0.00 -0.51 -1.75 119.26 122.48 1y4p h ALA 65 Ca 0.02 -0.34 -0.18 0.00 0.00 0.00 0.00 54.91 54.40 1y4p h ALA 65 Cb 1.04 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1y4p h ALA 65 CO 0.10 0.48 -0.50 -0.07 0.00 0.00 0.00 179.25 179.26 1y4p h LEU 66 N 0.07 0.97 -0.55 0.00 3.38 -1.05 -1.47 115.31 116.66 1y4p h LEU 66 Ca 0.01 -0.50 0.02 0.00 0.09 0.00 0.00 57.88 57.49 1y4p h LEU 66 Cb 0.67 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 1y4p h LEU 66 CO 0.05 1.30 0.35 0.74 0.09 0.00 0.00 178.44 180.97 1y4p h THR 67 N 0.69 1.10 -0.11 0.22 2.02 -0.85 -0.59 112.91 115.39 1y4p h THR 67 Ca 0.03 -0.24 -0.04 0.00 0.77 0.00 0.00 66.41 66.93 1y4p h THR 67 Cb 1.10 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 1y4p h THR 67 CO 0.11 0.13 -0.11 -1.13 0.37 0.00 0.00 175.52 174.90 1y4p h ASN 68 N 0.70 0.15 0.02 4.18 -1.24 -1.16 -0.09 115.58 118.14 1y4p h ASN 68 Ca 0.21 -0.02 -0.21 0.00 0.71 0.00 0.00 56.30 56.99 1y4p h ASN 68 Cb -0.03 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 38.99 1y4p h ASN 68 CO -0.07 0.28 -0.77 0.00 -1.29 0.00 0.00 177.43 175.58 1y4p h ALA 69 N 1.74 0.42 -0.20 1.57 0.00 -0.19 -1.25 119.26 121.35 1y4p h ALA 69 Ca 0.03 -0.61 -0.02 0.00 0.00 0.00 0.00 54.91 54.32 1y4p h ALA 69 Cb 0.29 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1y4p h ALA 69 CO 0.02 0.72 0.04 0.28 0.00 0.00 0.00 179.25 180.31 1y4p h VAL 70 N 0.43 1.21 0.00 0.00 2.07 -0.35 0.17 116.25 119.78 1y4p h VAL 70 Ca -0.05 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 1y4p h VAL 70 Cb 1.37 1.29 -0.00 0.00 -1.52 0.00 0.00 31.29 32.43 1y4p h VAL 70 CO 0.15 0.22 -0.07 0.00 0.02 0.00 0.00 177.57 177.88 1y4p h ALA 71 N 0.85 1.68 -0.48 1.67 0.00 -1.04 -2.56 119.26 119.38 1y4p h ALA 71 Ca 0.06 -0.06 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 1y4p h ALA 71 Cb 0.29 -0.01 -0.16 0.00 0.00 0.00 0.00 17.79 17.90 1y4p h ALA 71 CO 0.00 0.09 -0.01 0.72 0.00 0.00 0.00 179.25 180.05 1y4p n HIS 72 N -4.16 1.53 -0.31 0.00 8.25 -0.48 -4.83 115.22 115.23 1y4p n HIS 72 Ca -0.03 -1.77 0.25 0.00 -0.26 0.00 0.00 57.72 55.92 1y4p n HIS 72 Cb 0.15 -0.59 0.56 0.00 1.12 0.00 0.00 29.99 31.24 1y4p n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1y4p h VAL 73 N 1.08 0.51 0.00 1.59 3.04 -0.24 0.20 116.25 122.43 1y4p h VAL 73 Ca 0.30 -0.11 0.00 0.00 -1.01 0.00 0.00 66.70 65.88 1y4p h VAL 73 Cb 1.74 0.18 0.00 0.00 -2.01 0.00 0.00 31.29 31.20 1y4p h VAL 73 CO 0.56 0.06 0.00 0.47 -1.01 0.00 0.00 177.57 177.64 1y4p n ASP 74 N -4.53 0.00 -2.78 3.17 8.00 -1.26 -4.03 116.55 115.13 1y4p n ASP 74 Ca 0.25 -0.11 -0.02 0.00 0.71 0.00 0.00 54.79 55.62 1y4p n ASP 74 Cb 0.93 -0.29 0.07 0.00 -0.02 0.00 0.00 41.12 41.82 1y4p n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1y4p n ASP 75 N -1.29 0.71 -0.23 -2.24 2.03 0.68 -4.98 116.55 111.23 1y4p n ASP 75 Ca 0.13 -2.16 -0.04 0.00 0.52 0.00 0.00 54.79 53.24 1y4p n ASP 75 Cb 0.22 -0.15 0.06 0.00 -0.72 0.00 0.00 41.12 40.54 1y4p n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1y4p h MET 76 N 2.25 0.77 -0.25 -0.67 2.86 -1.66 -1.89 114.93 116.35 1y4p h MET 76 Ca -0.21 -0.05 0.04 0.00 -2.06 0.00 0.00 59.70 57.42 1y4p h MET 76 Cb 1.27 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.74 1y4p h MET 76 CO 0.12 0.51 0.17 -1.35 1.06 0.00 0.00 176.91 177.42 1y4p h PRO 77 N 0.80 0.14 0.13 -0.22 0.11 -1.94 -0.95 132.00 130.07 1y4p h PRO 77 Ca 0.26 -0.01 -0.25 0.00 0.11 0.00 0.00 66.00 66.11 1y4p h PRO 77 Cb 0.01 -0.03 0.01 0.00 0.11 0.00 0.00 31.00 31.09 1y4p h PRO 77 CO -0.10 0.09 -1.21 -0.91 -0.21 0.00 0.00 178.00 175.67 1y4p h ASN 78 N 0.14 0.43 0.61 -2.05 4.21 -1.77 -2.89 115.58 114.26 1y4p h ASN 78 Ca 0.11 -0.89 -0.00 0.00 1.21 0.00 0.00 56.30 56.73 1y4p h ASN 78 Cb 0.26 -0.14 -0.00 0.00 -1.12 0.00 0.00 38.32 37.32 1y4p h ASN 78 CO -0.02 1.54 -0.02 0.00 -1.29 0.00 0.00 177.43 177.65 1y4p h ALA 79 N 0.00 1.03 -0.26 -0.83 0.00 -0.98 -2.97 119.26 115.25 1y4p h ALA 79 Ca -0.25 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1y4p h ALA 79 Cb 1.73 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1y4p h ALA 79 CO 0.10 0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.65 1y4p n LEU 80 N -3.15 2.90 -0.24 0.00 4.77 -0.40 -4.77 117.00 116.12 1y4p n LEU 80 Ca -0.01 -2.20 0.03 0.00 -0.03 0.00 0.00 56.01 53.80 1y4p n LEU 80 Cb 0.22 -0.25 0.15 0.00 -2.33 0.00 0.00 43.42 41.21 1y4p n LEU 80 CO 0.25 0.68 1.02 0.77 -1.33 0.00 0.00 177.39 178.78 1y4p h SER 81 N 1.57 0.30 0.17 -1.43 4.64 -1.34 -0.50 113.55 116.96 1y4p h SER 81 Ca 0.00 0.09 -0.08 0.00 -0.47 0.00 0.00 61.79 61.33 1y4p h SER 81 Cb 0.82 0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.95 1y4p h SER 81 CO 0.04 0.15 -0.29 0.00 -0.87 0.00 0.00 176.83 175.86 1y4p h ALA 82 N 1.48 1.32 0.02 5.18 0.00 -1.86 -0.59 119.26 124.81 1y4p h ALA 82 Ca 0.37 -0.31 -0.21 0.00 0.00 0.00 0.00 54.91 54.76 1y4p h ALA 82 Cb 0.49 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1y4p h ALA 82 CO -0.34 0.47 -0.93 -0.07 0.00 0.00 0.00 179.25 178.38 1y4p h LEU 83 N 0.18 0.25 -0.30 0.00 3.38 -1.68 -1.18 115.31 115.96 1y4p h LEU 83 Ca 0.03 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.71 1y4p h LEU 83 Cb 0.60 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1y4p h LEU 83 CO 0.04 1.05 -0.12 -1.28 0.09 0.00 0.00 178.44 178.22 1y4p h SER 84 N 0.09 0.62 -0.30 -0.43 0.87 -0.77 -0.59 113.55 113.03 1y4p h SER 84 Ca -0.05 -0.39 -0.01 0.00 -1.23 0.00 0.00 61.79 60.11 1y4p h SER 84 Cb 1.58 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 63.36 1y4p h SER 84 CO 0.14 0.87 0.15 0.44 -0.53 0.00 0.00 176.83 177.90 1y4p h ASP 85 N 0.36 0.39 -0.40 6.23 3.32 -1.13 -1.22 116.42 123.98 1y4p h ASP 85 Ca 0.07 -0.12 0.04 0.00 0.02 0.00 0.00 57.03 57.04 1y4p h ASP 85 Cb 0.62 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 40.03 1y4p h ASP 85 CO 0.04 0.40 0.17 0.25 -1.72 0.00 0.00 179.24 178.37 1y4p h LEU 86 N 0.36 0.21 -0.77 1.55 5.85 -0.97 -1.08 115.31 120.46 1y4p h LEU 86 Ca 0.11 0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.74 1y4p h LEU 86 Cb 0.11 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1y4p h LEU 86 CO -0.01 0.16 -0.33 0.45 -0.34 0.00 0.00 178.44 178.37 1y4p h HIS 87 N 0.34 0.64 -0.00 1.25 3.86 -1.02 -2.14 115.15 118.09 1y4p h HIS 87 Ca 0.18 -0.16 -0.22 0.00 -1.16 0.00 0.00 60.37 59.00 1y4p h HIS 87 Cb 0.13 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.45 1y4p h HIS 87 CO -0.13 0.82 -0.93 0.00 0.86 0.00 0.00 177.93 178.55 1y4p h ALA 88 N 1.17 0.37 0.00 2.45 0.00 -0.71 0.44 119.26 122.99 1y4p h ALA 88 Ca 0.05 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1y4p h ALA 88 Cb 0.80 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1y4p h ALA 88 CO 0.07 0.81 -1.07 0.72 0.00 0.00 0.00 179.25 179.78 1y4p n HIS 89 N -3.75 0.00 0.03 0.00 8.25 -0.46 -4.58 115.22 114.71 1y4p n HIS 89 Ca -0.07 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.39 1y4p n HIS 89 Cb 0.83 -0.14 -0.00 0.00 1.12 0.00 0.00 29.99 31.80 1y4p n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1y4p n LYS 90 N -1.61 0.03 -0.08 -0.41 4.81 -0.91 -4.87 118.16 115.12 1y4p n LYS 90 Ca -0.00 0.01 -0.14 0.00 -0.87 0.00 0.00 58.31 57.32 1y4p n LYS 90 Cb 0.25 -0.44 -0.05 0.00 0.02 0.00 0.00 35.03 34.81 1y4p n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1y4p h LEU 91 N -0.06 0.69 -1.89 3.14 3.38 -1.48 -3.48 115.31 115.60 1y4p h LEU 91 Ca 0.00 -0.50 -0.40 0.00 0.09 0.00 0.00 57.88 57.08 1y4p h LEU 91 Cb 0.06 -0.20 0.08 0.00 0.09 0.00 0.00 40.66 40.70 1y4p h LEU 91 CO 0.00 1.05 -0.83 0.54 0.09 0.00 0.00 178.44 179.29 1y4p n ARG 92 N -4.29 -4.77 -2.72 1.13 1.74 0.16 -4.93 116.66 102.97 1y4p n ARG 92 Ca -0.05 0.66 -0.41 0.00 -0.77 0.00 0.00 57.85 57.28 1y4p n ARG 92 Cb 0.48 -5.26 -0.04 0.00 -1.02 0.00 0.00 32.46 26.62 1y4p n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1y4p s VAL 93 N -3.59 4.57 0.22 1.55 1.01 -1.26 -4.99 120.40 117.91 1y4p s VAL 93 Ca 0.06 2.06 -0.31 0.00 0.00 0.00 0.00 61.98 63.79 1y4p s VAL 93 Cb -0.01 -4.32 -0.11 0.00 0.00 0.00 0.00 36.38 31.94 1y4p s VAL 93 CO 0.80 0.28 1.61 -0.62 0.00 0.00 0.00 175.10 177.16 1y4p s ASP 94 N 0.22 6.48 0.52 3.32 -1.08 -1.26 -4.88 116.67 119.99 1y4p s ASP 94 Ca 0.48 2.78 0.33 0.00 -0.52 0.00 0.00 52.55 55.63 1y4p s ASP 94 Cb -0.23 -2.61 1.48 0.00 -1.46 0.00 0.00 42.92 40.10 1y4p s ASP 94 CO 0.30 -0.88 1.83 -0.65 0.52 0.00 0.00 175.17 176.29 1y4p h PRO 95 N 6.07 0.05 -0.15 4.34 0.11 -2.00 -1.41 132.00 139.01 1y4p h PRO 95 Ca -0.44 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.71 1y4p h PRO 95 Cb 1.21 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1y4p h PRO 95 CO 0.88 0.03 0.13 0.28 -0.21 0.00 0.00 178.00 179.11 1y4p h VAL 96 N 0.05 0.69 0.00 3.15 2.07 -2.03 -2.20 116.25 117.98 1y4p h VAL 96 Ca 0.52 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.94 1y4p h VAL 96 Cb 2.00 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 32.65 1y4p h VAL 96 CO -0.04 0.00 -0.50 0.78 0.02 0.00 0.00 177.57 177.83 1y4p h ASN 97 N 0.00 0.00 -0.49 0.57 4.21 -1.62 -2.69 115.58 115.56 1y4p h ASN 97 Ca 0.07 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.56 1y4p h ASN 97 Cb 0.34 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.51 1y4p h ASN 97 CO -0.00 0.50 0.22 -0.26 -1.29 0.00 0.00 177.43 176.60 1y4p h PHE 98 N 0.00 0.76 -0.12 1.19 -1.00 -1.57 -1.11 116.94 115.09 1y4p h PHE 98 Ca -0.00 -0.03 -0.09 0.00 2.81 0.00 0.00 57.97 60.65 1y4p h PHE 98 Cb 0.89 -0.24 -0.01 0.00 3.61 0.00 0.00 35.95 40.20 1y4p h PHE 98 CO 0.00 0.58 -0.32 0.87 -1.61 0.00 0.00 178.31 177.83 1y4p h LYS 99 N 0.76 0.22 -0.26 1.51 1.57 -1.59 -1.16 116.57 117.61 1y4p h LYS 99 Ca 0.18 -0.09 -0.15 0.00 -1.87 0.00 0.00 60.65 58.72 1y4p h LYS 99 Cb 0.14 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 1y4p h LYS 99 CO -0.02 0.53 -0.43 -0.07 -0.57 0.00 0.00 179.45 178.88 1y4p h LEU 100 N 0.20 0.83 -0.24 2.94 3.38 -1.21 -2.30 115.31 118.91 1y4p h LEU 100 Ca 0.03 -0.53 -0.03 0.00 0.09 0.00 0.00 57.88 57.44 1y4p h LEU 100 Cb 0.67 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1y4p h LEU 100 CO 0.05 1.20 0.02 0.25 0.09 0.00 0.00 178.44 180.05 1y4p h LEU 101 N 0.49 0.40 -0.36 1.67 5.85 -1.17 -2.14 115.31 120.05 1y4p h LEU 101 Ca 0.02 -0.28 0.07 0.00 0.84 0.00 0.00 57.88 58.53 1y4p h LEU 101 Cb 1.03 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.89 1y4p h LEU 101 CO 0.10 0.58 -0.05 0.28 -0.34 0.00 0.00 178.44 179.01 1y4p h SER 102 N 0.20 -0.24 -0.54 1.25 0.02 -1.23 -1.52 113.55 111.48 1y4p h SER 102 Ca 0.07 0.10 0.06 0.00 -0.84 0.00 0.00 61.79 61.18 1y4p h SER 102 Cb 0.36 0.19 -0.05 0.00 0.14 0.00 0.00 62.40 63.04 1y4p h SER 102 CO 0.01 -0.08 0.26 -0.74 -1.14 0.00 0.00 176.83 175.13 1y4p h HIS 103 N 0.04 0.47 -0.23 3.45 -0.00 -1.37 -1.65 115.15 115.86 1y4p h HIS 103 Ca 0.17 0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.53 1y4p h HIS 103 Cb 0.26 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 27.52 1y4p h HIS 103 CO -0.29 0.20 -0.02 0.00 -0.00 0.00 0.00 177.93 177.82 1y4p h LEU 105 N 0.33 0.61 -0.03 0.00 -0.00 -0.99 -1.62 115.31 113.61 1y4p h LEU 105 Ca 0.08 -0.43 0.02 0.00 -0.00 0.00 0.00 57.88 57.54 1y4p h LEU 105 Cb 0.26 -0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 40.73 1y4p h LEU 105 CO 0.01 0.91 -0.07 -0.07 -0.00 0.00 0.00 178.44 179.22 1y4p h LEU 106 N 0.31 -0.20 -1.05 1.67 3.38 -0.74 -0.77 115.31 117.91 1y4p h LEU 106 Ca 0.05 0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.17 1y4p h LEU 106 Cb 0.70 0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.46 1y4p h LEU 106 CO 0.05 -0.10 0.62 0.58 0.09 0.00 0.00 178.44 179.68 1y4p h VAL 107 N -0.10 0.94 -0.08 1.22 2.07 -1.10 0.36 116.25 119.55 1y4p h VAL 107 Ca 0.04 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1y4p h VAL 107 Cb 0.15 -0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 29.79 1y4p h VAL 107 CO -0.09 0.18 0.00 0.74 0.02 0.00 0.00 177.57 178.42 1y4p h THR 108 N 0.98 1.24 -0.29 2.57 2.02 -0.74 -1.51 112.91 117.18 1y4p h THR 108 Ca 0.48 -0.76 -0.00 0.00 0.77 0.00 0.00 66.41 66.90 1y4p h THR 108 Cb 0.47 1.61 -0.01 0.00 -1.74 0.00 0.00 68.15 68.47 1y4p h THR 108 CO -0.24 0.21 0.17 -0.07 0.37 0.00 0.00 175.52 175.96 1y4p h LEU 109 N -0.14 0.35 -1.37 2.58 3.38 -0.61 -1.55 115.31 117.96 1y4p h LEU 109 Ca 0.02 -0.06 0.13 0.00 0.09 0.00 0.00 57.88 58.06 1y4p h LEU 109 Cb 0.33 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.93 1y4p h LEU 109 CO 0.00 0.31 0.54 0.00 0.09 0.00 0.00 178.44 179.38 1y4p h ALA 110 N 1.06 1.86 -0.00 1.53 0.00 -0.17 0.21 119.26 123.74 1y4p h ALA 110 Ca 0.10 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 1y4p h ALA 110 Cb 0.02 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1y4p h ALA 110 CO -0.02 -0.07 -0.79 0.00 0.00 0.00 0.00 179.25 178.38 1y4p h ALA 111 N 1.61 0.68 0.00 0.00 0.00 -0.65 -3.34 119.26 117.56 1y4p h ALA 111 Ca 0.40 -0.69 -0.16 0.00 0.00 0.00 0.00 54.91 54.46 1y4p h ALA 111 Cb 0.64 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1y4p h ALA 111 CO -0.16 0.93 -1.87 0.72 0.00 0.00 0.00 179.25 178.87 1y4p n HIS 112 N -3.65 0.37 -3.22 0.00 -0.00 -0.61 -4.66 115.22 103.44 1y4p n HIS 112 Ca -0.02 0.12 -0.26 0.00 -0.00 0.00 0.00 57.72 57.56 1y4p n HIS 112 Cb 0.75 -0.86 -0.06 0.00 -0.00 0.00 0.00 29.99 29.82 1y4p n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1y4p n LEU 113 N -2.62 3.67 -0.02 2.41 4.77 0.63 -4.95 117.00 120.90 1y4p n LEU 113 Ca -0.14 -5.47 -0.09 0.00 -0.03 0.00 0.00 56.01 50.28 1y4p n LEU 113 Cb 0.82 -0.48 -0.04 0.00 -2.33 0.00 0.00 43.42 41.39 1y4p n LEU 113 CO 0.44 2.18 0.84 -0.65 -1.33 0.00 0.00 177.39 178.86 1y4p h PRO 114 N 3.67 -0.01 -0.25 3.23 0.11 -1.80 -1.92 132.00 135.04 1y4p h PRO 114 Ca 0.16 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.19 1y4p h PRO 114 Cb 0.63 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.73 1y4p h PRO 114 CO 0.79 -0.01 -0.21 0.00 -0.21 0.00 0.00 178.00 178.37 1y4p h ALA 115 N 1.14 1.18 0.00 -0.75 0.00 -1.93 -3.05 119.26 115.84 1y4p h ALA 115 Ca 0.07 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1y4p h ALA 115 Cb 0.12 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1y4p h ALA 115 CO -0.16 0.53 -0.31 0.93 0.00 0.00 0.00 179.25 180.24 1y4p h GLU 116 N 0.41 0.00 -2.68 0.00 3.07 -1.89 -3.39 114.58 110.10 1y4p h GLU 116 Ca 0.07 0.00 -0.71 0.00 -0.50 0.00 0.00 59.36 58.21 1y4p h GLU 116 Cb 0.60 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 28.42 1y4p h GLU 116 CO 0.04 0.00 2.67 0.34 -1.40 0.00 0.00 179.01 180.66 1y4p n PHE 117 N -2.46 2.50 -1.45 4.33 7.35 -0.75 -4.81 117.46 122.16 1y4p n PHE 117 Ca 0.04 -2.85 -0.30 0.00 -0.76 0.00 0.00 57.45 53.58 1y4p n PHE 117 Cb 0.47 -1.97 0.10 0.00 0.35 0.00 0.00 39.48 38.42 1y4p n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1y4p s THR 118 N -0.40 3.12 0.31 -2.13 -4.23 -1.26 -4.74 115.64 106.32 1y4p s THR 118 Ca 0.58 0.36 0.08 0.00 -1.18 0.00 0.00 61.69 61.54 1y4p s THR 118 Cb 0.19 -3.03 0.31 0.00 1.34 0.00 0.00 72.50 71.31 1y4p s THR 118 CO -0.09 -0.48 1.74 -0.65 -0.54 0.00 0.00 174.62 174.60 1y4p h PRO 119 N -1.15 0.60 -0.02 3.99 0.11 -1.99 0.43 132.00 133.96 1y4p h PRO 119 Ca -0.47 -0.04 -0.19 0.00 0.11 0.00 0.00 66.00 65.41 1y4p h PRO 119 Cb 1.26 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1y4p h PRO 119 CO 0.57 0.39 -0.82 0.00 -0.21 0.00 0.00 178.00 177.93 1y4p h ALA 120 N 1.71 0.55 -0.15 -0.75 0.00 -1.97 -2.56 119.26 116.08 1y4p h ALA 120 Ca 0.62 -0.67 -0.21 0.00 0.00 0.00 0.00 54.91 54.65 1y4p h ALA 120 Cb 1.13 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.87 1y4p h ALA 120 CO -0.46 0.84 -0.72 0.28 0.00 0.00 0.00 179.25 179.20 1y4p h VAL 121 N 0.17 1.29 -0.53 0.00 2.07 -1.65 -2.27 116.25 115.34 1y4p h VAL 121 Ca -0.04 -1.93 0.09 0.00 0.82 0.00 0.00 66.70 65.64 1y4p h VAL 121 Cb 1.43 2.01 -0.07 0.00 -1.52 0.00 0.00 31.29 33.13 1y4p h VAL 121 CO 0.13 0.61 0.11 -0.74 0.02 0.00 0.00 177.57 177.70 1y4p h HIS 122 N 0.47 0.18 -0.42 1.57 6.17 -0.97 0.16 115.15 122.31 1y4p h HIS 122 Ca -0.05 0.03 0.04 0.00 0.71 0.00 0.00 60.37 61.10 1y4p h HIS 122 Cb 1.35 0.00 -0.04 0.00 2.52 0.00 0.00 27.41 31.25 1y4p h HIS 122 CO 0.09 -0.01 0.20 0.00 0.71 0.00 0.00 177.93 178.92 1y4p h ALA 123 N 1.41 0.52 -0.40 5.26 0.00 -1.35 -1.50 119.26 123.20 1y4p h ALA 123 Ca 0.27 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 55.05 1y4p h ALA 123 Cb 0.37 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1y4p h ALA 123 CO -0.35 -0.16 -0.34 0.77 0.00 0.00 0.00 179.25 179.17 1y4p h SER 124 N 0.40 0.98 -0.63 0.00 0.02 -0.67 -2.22 113.55 111.44 1y4p h SER 124 Ca 0.18 -0.43 -0.07 0.00 -0.84 0.00 0.00 61.79 60.63 1y4p h SER 124 Cb 0.10 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.34 1y4p h SER 124 CO -0.13 1.22 0.12 -0.07 -1.14 0.00 0.00 176.83 176.83 1y4p h LEU 125 N 0.77 0.99 -0.50 5.07 3.38 -0.54 -1.17 115.31 123.31 1y4p h LEU 125 Ca 0.07 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 1y4p h LEU 125 Cb 0.93 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1y4p h LEU 125 CO 0.09 0.98 0.16 -0.78 0.09 0.00 0.00 178.44 178.97 1y4p h ASP 126 N 0.99 0.72 -0.31 -0.43 3.58 -1.09 0.62 116.42 120.50 1y4p h ASP 126 Ca 0.20 -0.20 -0.08 0.00 0.42 0.00 0.00 57.03 57.37 1y4p h ASP 126 Cb 0.40 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.24 1y4p h ASP 126 CO 0.01 0.73 -0.08 0.11 -2.88 0.00 0.00 179.24 177.13 1y4p h LYS 127 N 0.67 0.71 0.21 0.28 1.57 -1.23 -0.95 116.57 117.82 1y4p h LYS 127 Ca 0.16 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1y4p h LYS 127 Cb 0.27 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1y4p h LYS 127 CO -0.01 0.78 -0.10 0.35 -0.57 0.00 0.00 179.45 179.90 1y4p h PHE 128 N 0.65 -0.26 -0.63 -1.35 3.57 -0.75 -0.42 116.94 117.76 1y4p h PHE 128 Ca 0.12 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.67 1y4p h PHE 128 Cb 0.52 0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.31 1y4p h PHE 128 CO 0.02 0.05 0.42 -0.07 -2.23 0.00 0.00 178.31 176.51 1y4p h LEU 129 N -0.58 0.58 -0.85 0.59 3.38 -0.86 -0.62 115.31 116.95 1y4p h LEU 129 Ca -0.03 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1y4p h LEU 129 Cb 0.43 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1y4p h LEU 129 CO 0.05 0.38 -0.02 0.00 0.09 0.00 0.00 178.44 178.94 1y4p h ALA 130 N 1.65 1.04 -0.21 1.53 0.00 -0.87 -1.47 119.26 120.92 1y4p h ALA 130 Ca 0.27 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1y4p h ALA 130 Cb 0.22 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1y4p h ALA 130 CO -0.08 0.59 -0.37 0.77 0.00 0.00 0.00 179.25 180.16 1y4p h SER 131 N 0.78 0.70 -0.85 0.00 0.02 0.22 -1.11 113.55 113.30 1y4p h SER 131 Ca 0.15 -0.53 0.11 0.00 -0.84 0.00 0.00 61.79 60.67 1y4p h SER 131 Cb 0.49 -0.20 -0.08 0.00 0.14 0.00 0.00 62.40 62.75 1y4p h SER 131 CO 0.02 1.10 0.48 0.58 -1.14 0.00 0.00 176.83 177.88 1y4p h VAL 132 N 0.32 0.87 -0.33 2.27 2.07 -1.07 0.25 116.25 120.63 1y4p h VAL 132 Ca 0.01 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 67.22 1y4p h VAL 132 Cb 0.97 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1y4p h VAL 132 CO 0.08 0.14 0.00 0.28 0.02 0.00 0.00 177.57 178.10 1y4p h SER 133 N 0.77 0.57 -0.41 0.57 0.02 -0.87 -0.68 113.55 113.52 1y4p h SER 133 Ca 0.42 -0.31 0.04 0.00 -0.84 0.00 0.00 61.79 61.11 1y4p h SER 133 Cb 0.45 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.79 1y4p h SER 133 CO -0.28 0.74 0.16 0.74 -1.14 0.00 0.00 176.83 177.06 1y4p h THR 134 N 0.39 0.91 -0.92 -2.27 2.02 -0.76 -1.70 112.91 110.58 1y4p h THR 134 Ca 0.09 -0.12 0.04 0.00 0.77 0.00 0.00 66.41 67.20 1y4p h THR 134 Cb 0.44 0.54 -0.06 0.00 -1.74 0.00 0.00 68.15 67.34 1y4p h THR 134 CO 0.02 0.06 0.60 0.58 0.37 0.00 0.00 175.52 177.14 1y4p h VAL 135 N 0.34 1.13 0.00 3.16 2.07 -0.67 -1.85 116.25 120.43 1y4p h VAL 135 Ca 0.18 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1y4p h VAL 135 Cb 0.14 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 29.81 1y4p h VAL 135 CO -0.17 0.21 0.00 -0.07 0.02 0.00 0.00 177.57 177.56 1y4p h LEU 136 N 1.14 0.00 -2.77 2.57 3.38 -0.33 -3.14 115.31 116.16 1y4p h LEU 136 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1y4p h LEU 136 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1y4p h LEU 136 CO -0.13 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.75 1y4p n THR 137 N -2.61 0.91 0.35 0.22 -2.24 -0.71 -4.46 114.28 105.73 1y4p n THR 137 Ca 0.03 -0.95 0.14 0.00 -2.27 0.00 0.00 64.05 61.00 1y4p n THR 137 Cb 0.34 0.56 0.49 0.00 -2.10 0.00 0.00 70.33 69.62 1y4p n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1y4p h SER 138 N 1.42 0.00 -0.42 3.42 4.64 -1.30 -3.05 113.55 118.26 1y4p h SER 138 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 1y4p h SER 138 Cb 0.63 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.69 1y4p h SER 138 CO 0.00 0.00 0.04 0.29 -0.87 0.00 0.00 176.83 176.29 1y4p n LYS 139 N -2.74 3.43 -0.21 4.77 5.02 -1.26 -4.72 118.16 122.46 1y4p n LYS 139 Ca 0.02 -2.99 -0.04 0.00 -2.02 0.00 0.00 58.31 53.28 1y4p n LYS 139 Cb 0.35 -2.00 0.13 0.00 -0.02 0.00 0.00 35.03 33.49 1y4p n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1y4p h TYR 140 N 2.39 1.03 0.00 2.13 -1.99 -1.85 -3.46 116.97 115.22 1y4p h TYR 140 Ca 0.06 -0.08 0.00 0.00 2.00 0.00 0.00 58.73 60.70 1y4p h TYR 140 Cb 1.73 -0.31 0.00 0.00 2.00 0.00 0.00 36.73 40.16 1y4p h TYR 140 CO 0.81 0.81 0.00 2.89 -0.00 0.00 0.00 178.16 182.67