#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y4p s HIS 2 N 0.00 2.32 -0.17 2.03 5.04 -1.26 -4.98 115.29 118.28 1y4p s HIS 2 Ca 0.00 -0.41 -0.08 0.00 -1.54 0.00 0.00 55.06 53.04 1y4p s HIS 2 Cb 0.00 -4.53 -0.04 0.00 0.04 0.00 0.00 32.58 28.05 1y4p s HIS 2 CO 0.00 -1.91 0.09 -0.51 -2.34 0.00 0.00 174.74 170.07 1y4p s LEU 3 N 6.33 4.00 0.49 8.88 1.02 -1.26 -5.10 118.68 133.04 1y4p s LEU 3 Ca 0.52 0.20 -0.13 0.00 0.02 0.00 0.00 54.13 54.73 1y4p s LEU 3 Cb -0.02 -2.00 -0.07 0.00 0.02 0.00 0.00 46.19 44.12 1y4p s LEU 3 CO -0.06 0.24 0.91 0.42 0.02 0.00 0.00 176.35 177.88 1y4p s THR 4 N 0.00 4.66 0.32 5.49 -4.23 -1.26 -4.86 115.64 115.76 1y4p s THR 4 Ca 0.07 0.91 0.06 0.00 -1.18 0.00 0.00 61.69 61.56 1y4p s THR 4 Cb -0.12 -3.75 0.31 0.00 1.34 0.00 0.00 72.50 70.28 1y4p s THR 4 CO 0.00 -0.71 1.81 -0.65 -0.54 0.00 0.00 174.62 174.54 1y4p h PRO 5 N 0.82 0.77 0.00 3.99 0.11 -1.99 0.16 132.00 135.86 1y4p h PRO 5 Ca -0.47 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 65.48 1y4p h PRO 5 Cb 1.19 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 1y4p h PRO 5 CO 0.62 0.51 -0.56 0.93 -0.21 0.00 0.00 178.00 179.29 1y4p h GLU 6 N 0.79 0.00 -0.03 1.05 4.39 -1.99 -1.19 114.58 117.60 1y4p h GLU 6 Ca 0.53 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.22 1y4p h GLU 6 Cb 0.78 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.43 1y4p h GLU 6 CO -0.30 0.56 -0.01 0.93 -1.16 0.00 0.00 179.01 179.02 1y4p h GLU 7 N 0.00 0.06 -0.39 2.33 5.08 -1.37 -2.04 114.58 118.24 1y4p h GLU 7 Ca -0.01 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.37 1y4p h GLU 7 Cb 1.10 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 1y4p h GLU 7 CO 0.07 0.43 0.26 -0.22 -1.00 0.00 0.00 179.01 178.56 1y4p h LYS 8 N -0.32 0.37 0.01 2.33 3.64 -0.63 -0.55 116.57 121.41 1y4p h LYS 8 Ca 0.01 -0.02 -0.27 0.00 -1.27 0.00 0.00 60.65 59.10 1y4p h LYS 8 Cb 0.41 -0.08 0.02 0.00 -0.41 0.00 0.00 32.23 32.17 1y4p h LYS 8 CO 0.00 0.24 -1.06 1.03 -2.27 0.00 0.00 179.45 177.40 1y4p h SER 9 N 0.38 0.91 -0.53 4.20 0.87 -1.19 -2.19 113.55 116.00 1y4p h SER 9 Ca 0.16 -0.73 0.02 0.00 -1.23 0.00 0.00 61.79 60.01 1y4p h SER 9 Cb 0.18 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 61.82 1y4p h SER 9 CO -0.04 1.53 0.32 0.00 -0.53 0.00 0.00 176.83 178.12 1y4p h ALA 10 N 0.41 0.67 -0.08 6.23 0.00 -0.50 0.14 119.26 126.13 1y4p h ALA 10 Ca -0.13 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1y4p h ALA 10 Cb 1.71 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.33 1y4p h ALA 10 CO 0.21 0.04 0.01 0.28 0.00 0.00 0.00 179.25 179.79 1y4p h VAL 11 N 0.64 1.22 -0.58 0.00 2.07 -1.13 -2.75 116.25 115.73 1y4p h VAL 11 Ca 0.21 -0.69 -0.04 0.00 0.82 0.00 0.00 66.70 67.00 1y4p h VAL 11 Cb 0.00 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 1y4p h VAL 11 CO -0.08 0.19 0.21 0.74 0.02 0.00 0.00 177.57 178.65 1y4p h THR 12 N -0.12 1.23 0.26 2.57 2.02 -1.29 -2.24 112.91 115.35 1y4p h THR 12 Ca 0.02 -0.76 0.01 0.00 0.77 0.00 0.00 66.41 66.45 1y4p h THR 12 Cb 0.30 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 1y4p h THR 12 CO 0.00 0.29 -0.39 0.00 0.37 0.00 0.00 175.52 175.79 1y4p h ALA 13 N 1.06 -0.77 -0.85 6.16 0.00 -0.64 -2.32 119.26 121.91 1y4p h ALA 13 Ca 0.19 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1y4p h ALA 13 Cb 0.24 0.60 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 1y4p h ALA 13 CO -0.01 -0.98 0.56 1.25 0.00 0.00 0.00 179.25 180.06 1y4p h LEU 14 N -0.72 0.95 -1.92 0.00 5.85 -1.50 -2.62 115.31 115.36 1y4p h LEU 14 Ca -0.01 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 1y4p h LEU 14 Cb 0.68 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.48 1y4p h LEU 14 CO -0.14 0.68 -0.12 -0.25 -0.34 0.00 0.00 178.44 178.27 1y4p h TRP 15 N 1.12 0.00 -0.06 1.25 2.91 -1.00 -1.04 115.95 119.14 1y4p h TRP 15 Ca 0.32 0.00 0.02 0.00 1.13 0.00 0.00 58.89 60.36 1y4p h TRP 15 Cb -0.09 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 28.56 1y4p h TRP 15 CO -0.02 0.12 0.06 0.78 -1.03 0.00 0.00 178.44 178.36 1y4p h GLY 16 N 0.70 0.00 -1.43 2.65 0.00 -1.02 -2.13 103.07 101.84 1y4p h GLY 16 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1y4p h GLY 16 CO 0.02 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.84 1y4p n LYS 17 N -3.85 2.08 -3.10 4.80 5.02 -0.39 -4.94 118.16 117.78 1y4p n LYS 17 Ca -0.02 -1.60 -0.39 0.00 -2.02 0.00 0.00 58.31 54.28 1y4p n LYS 17 Cb 0.16 -1.46 -0.05 0.00 -0.02 0.00 0.00 35.03 33.66 1y4p n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1y4p s VAL 18 N -1.82 5.05 -0.60 -0.18 1.01 -0.80 -5.01 120.40 118.04 1y4p s VAL 18 Ca 0.34 1.36 -0.24 0.00 0.00 0.00 0.00 61.98 63.44 1y4p s VAL 18 Cb 0.20 -4.00 0.05 0.00 0.00 0.00 0.00 36.38 32.63 1y4p s VAL 18 CO 0.30 0.28 0.99 0.21 0.00 0.00 0.00 175.10 176.88 1y4p s ASN 19 N 0.67 6.27 0.26 3.32 3.84 -1.26 -4.92 114.94 123.12 1y4p s ASN 19 Ca 0.35 -0.56 -0.04 0.00 0.21 0.00 0.00 52.86 52.83 1y4p s ASN 19 Cb -0.17 -2.44 0.32 0.00 -0.55 0.00 0.00 41.25 38.40 1y4p s ASN 19 CO 0.17 -1.36 1.84 -0.37 -2.79 0.00 0.00 177.10 174.59 1y4p h VAL 20 N 6.01 1.24 -0.13 -5.21 -1.51 -1.95 -1.48 116.25 113.22 1y4p h VAL 20 Ca -0.27 -0.73 0.04 0.00 -1.23 0.00 0.00 66.70 64.51 1y4p h VAL 20 Cb 1.07 0.41 -0.05 0.00 -2.13 0.00 0.00 31.29 30.59 1y4p h VAL 20 CO 1.14 0.30 -0.15 0.44 -1.23 0.00 0.00 177.57 178.07 1y4p h ASP 21 N 1.00 -0.46 -0.17 4.19 5.19 -1.91 0.18 116.42 124.43 1y4p h ASP 21 Ca 0.23 0.09 -0.08 0.00 -0.62 0.00 0.00 57.03 56.65 1y4p h ASP 21 Cb 0.18 0.22 -0.00 0.00 0.18 0.00 0.00 39.33 39.91 1y4p h ASP 21 CO -0.02 -0.19 -0.22 -0.08 -3.12 0.00 0.00 179.24 175.60 1y4p h GLU 22 N -0.18 0.46 -0.14 3.56 4.81 -1.88 -2.43 114.58 118.78 1y4p h GLU 22 Ca 0.09 -0.26 -0.08 0.00 -0.13 0.00 0.00 59.36 58.98 1y4p h GLU 22 Cb 0.32 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1y4p h GLU 22 CO -0.24 0.84 -0.28 0.28 -0.73 0.00 0.00 179.01 178.88 1y4p h VAL 23 N 0.10 1.25 -0.21 0.32 2.07 -1.25 -1.67 116.25 116.87 1y4p h VAL 23 Ca 0.02 -1.20 -0.01 0.00 0.82 0.00 0.00 66.70 66.33 1y4p h VAL 23 Cb 0.78 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 1y4p h VAL 23 CO 0.05 0.37 0.10 1.23 0.02 0.00 0.00 177.57 179.33 1y4p h GLY 24 N 1.02 0.33 1.00 2.17 0.00 -0.57 -0.68 103.07 106.33 1y4p h GLY 24 Ca 0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 1y4p h GLY 24 CO 0.05 0.16 0.39 -1.33 0.00 0.00 0.00 176.54 175.81 1y4p h GLY 25 N 0.20 0.97 1.07 4.60 0.00 -1.21 -2.40 103.07 106.30 1y4p h GLY 25 Ca 0.07 -0.41 -0.09 0.00 0.00 0.00 0.00 47.33 46.90 1y4p h GLY 25 CO -0.01 0.40 0.04 0.83 0.00 0.00 0.00 176.54 177.80 1y4p h GLU 26 N 0.90 1.06 -0.13 4.80 4.39 -1.07 -1.96 114.58 122.57 1y4p h GLU 26 Ca 0.24 -0.32 -0.08 0.00 0.34 0.00 0.00 59.36 59.54 1y4p h GLU 26 Cb -0.01 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.53 1y4p h GLU 26 CO -0.04 1.02 -0.22 0.00 -1.16 0.00 0.00 179.01 178.61 1y4p h ALA 27 N 1.00 0.20 -0.32 3.43 0.00 -1.04 -1.42 119.26 121.12 1y4p h ALA 27 Ca 0.18 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1y4p h ALA 27 Cb 0.51 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1y4p h ALA 27 CO 0.02 0.16 0.15 1.25 0.00 0.00 0.00 179.25 180.83 1y4p h LEU 28 N -0.02 0.42 -0.18 0.00 5.85 -1.47 -1.91 115.31 118.00 1y4p h LEU 28 Ca 0.01 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1y4p h LEU 28 Cb 0.79 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 1y4p h LEU 28 CO 0.05 0.43 0.12 1.23 -0.34 0.00 0.00 178.44 179.93 1y4p h GLY 29 N 0.38 0.25 1.38 3.75 0.00 -1.35 -2.38 103.07 105.11 1y4p h GLY 29 Ca 0.11 -0.09 0.02 0.00 0.00 0.00 0.00 47.33 47.36 1y4p h GLY 29 CO -0.01 0.09 0.39 3.21 0.00 0.00 0.00 176.54 180.22 1y4p h ARG 30 N 0.24 0.74 -0.45 4.80 3.08 -1.23 -1.76 114.38 119.80 1y4p h ARG 30 Ca 0.07 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.12 1y4p h ARG 30 Cb -0.03 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 29.81 1y4p h ARG 30 CO -0.01 0.49 0.20 1.25 -1.07 0.00 0.00 179.97 180.82 1y4p h LEU 31 N 0.76 0.26 -0.88 3.04 5.85 -0.86 0.91 115.31 124.39 1y4p h LEU 31 Ca 0.22 0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.88 1y4p h LEU 31 Cb -0.03 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 1y4p h LEU 31 CO -0.05 0.19 -0.45 -0.07 -0.34 0.00 0.00 178.44 177.72 1y4p h LEU 32 N 0.40 0.00 0.04 2.25 3.38 -1.00 -1.25 115.31 119.14 1y4p h LEU 32 Ca 0.20 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.04 1y4p h LEU 32 Cb 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1y4p h LEU 32 CO -0.17 0.45 -0.66 0.58 0.09 0.00 0.00 178.44 178.73 1y4p h VAL 33 N 0.00 1.41 0.00 1.22 2.07 -1.16 -3.30 116.25 116.49 1y4p h VAL 33 Ca -0.00 -2.34 -0.13 0.00 0.82 0.00 0.00 66.70 65.05 1y4p h VAL 33 Cb 0.96 2.96 -0.02 0.00 -1.52 0.00 0.00 31.29 33.67 1y4p h VAL 33 CO 0.06 0.56 -0.62 0.58 0.02 0.00 0.00 177.57 178.18 1y4p h VAL 34 N -0.80 1.38 -2.26 2.57 2.07 -0.86 -3.36 116.25 114.98 1y4p h VAL 34 Ca -0.16 -2.16 -0.59 0.00 0.82 0.00 0.00 66.70 64.62 1y4p h VAL 34 Cb 1.29 2.18 -0.40 0.00 -1.52 0.00 0.00 31.29 32.84 1y4p h VAL 34 CO -0.02 0.60 -0.82 -1.22 0.02 0.00 0.00 177.57 176.13 1y4p n TYR 35 N -3.71 1.64 0.32 1.57 4.01 -0.47 -4.97 117.16 115.55 1y4p n TYR 35 Ca -0.01 -3.87 0.19 0.00 -0.16 0.00 0.00 57.90 54.05 1y4p n TYR 35 Cb 0.63 -0.40 0.99 0.00 -0.31 0.00 0.00 39.34 40.25 1y4p n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1y4p h PRO 36 N 4.45 0.00 0.00 -0.72 0.11 -1.72 -1.33 132.00 132.80 1y4p h PRO 36 Ca 0.16 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.24 1y4p h PRO 36 Cb 0.78 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.89 1y4p h PRO 36 CO 0.63 0.00 -0.10 1.05 -0.21 0.00 0.00 178.00 179.37 1y4p h GLU 37 N 0.00 0.00 0.00 1.05 9.09 -1.91 -1.10 114.58 121.71 1y4p h GLU 37 Ca 0.01 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.42 1y4p h GLU 37 Cb 0.37 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.47 1y4p h GLU 37 CO -0.00 0.10 0.00 0.25 0.05 0.00 0.00 179.01 179.41 1y4p n THR 38 N -4.08 0.92 0.54 -1.06 -2.24 -0.50 -2.20 114.28 105.66 1y4p n THR 38 Ca -0.02 0.23 0.08 0.00 -2.27 0.00 0.00 64.05 62.07 1y4p n THR 38 Cb 0.19 -1.07 0.37 0.00 -2.10 0.00 0.00 70.33 67.71 1y4p n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1y4p n GLN 39 N -1.34 0.03 0.31 -0.78 6.02 -0.42 -3.34 117.38 117.86 1y4p n GLN 39 Ca 0.04 0.24 0.19 0.00 -0.01 0.00 0.00 57.00 57.47 1y4p n GLN 39 Cb 0.09 -1.55 1.02 0.00 1.02 0.00 0.00 30.24 30.81 1y4p n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1y4p h ARG 40 N 0.00 0.00 -0.00 -1.09 0.11 -1.67 -1.45 114.38 110.28 1y4p h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1y4p h ARG 40 Cb 0.30 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.38 1y4p h ARG 40 CO 0.00 0.00 -0.62 1.19 0.10 0.00 0.00 179.97 180.64 1y4p n PHE 41 N -3.27 0.00 -2.34 4.08 3.72 -1.21 -4.49 117.46 113.95 1y4p n PHE 41 Ca -0.02 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.21 1y4p n PHE 41 Cb 0.20 -0.13 0.03 0.00 -0.94 0.00 0.00 39.48 38.63 1y4p n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1y4p n PHE 42 N -1.27 2.36 0.19 1.38 3.72 -0.55 -4.82 117.46 118.47 1y4p n PHE 42 Ca 0.06 -2.36 0.05 0.00 -0.05 0.00 0.00 57.45 55.15 1y4p n PHE 42 Cb 0.35 -0.28 0.35 0.00 -0.94 0.00 0.00 39.48 38.96 1y4p n PHE 42 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 1y4p h GLU 43 N 2.40 0.00 0.00 -1.08 4.11 -1.79 -1.75 114.58 116.47 1y4p h GLU 43 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.63 1y4p h GLU 43 Cb 1.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.61 1y4p h GLU 43 CO 0.61 0.37 0.00 -1.13 0.07 0.00 0.00 179.01 178.93 1y4p n SER 44 N -3.61 0.00 -0.55 3.06 3.41 -1.26 -3.22 113.62 111.44 1y4p n SER 44 Ca -0.01 -0.51 0.13 0.00 -0.26 0.00 0.00 58.87 58.23 1y4p n SER 44 Cb 0.49 0.00 0.42 0.00 -0.26 0.00 0.00 64.21 64.86 1y4p n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1y4p n PHE 45 N -0.95 0.00 -2.35 7.33 3.01 -0.66 -5.04 117.46 118.80 1y4p n PHE 45 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.56 1y4p n PHE 45 Cb 0.05 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.51 1y4p n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1y4p n GLY 46 N 1.23 0.56 3.63 1.37 0.00 -1.20 -4.85 105.19 105.93 1y4p n GLY 46 Ca 0.17 -1.12 -0.43 0.00 0.00 0.00 0.00 46.02 44.65 1y4p n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1y4p s ASP 47 N -4.00 6.53 -0.10 1.61 2.15 -1.26 -4.85 116.67 116.76 1y4p s ASP 47 Ca 0.00 1.39 0.17 0.00 0.43 0.00 0.00 52.55 54.54 1y4p s ASP 47 Cb 0.00 -2.54 0.38 0.00 -0.30 0.00 0.00 42.92 40.46 1y4p s ASP 47 CO 0.00 -1.17 1.17 0.18 -0.17 0.00 0.00 175.17 175.19 1y4p n LEU 48 N 8.02 1.73 0.11 -1.34 4.77 -1.26 -4.27 117.00 124.77 1y4p n LEU 48 Ca 0.17 -2.79 -0.02 0.00 -0.03 0.00 0.00 56.01 53.34 1y4p n LEU 48 Cb 0.46 -0.26 0.02 0.00 -2.33 0.00 0.00 43.42 41.31 1y4p n LEU 48 CO 0.64 0.87 0.36 0.77 -1.33 0.00 0.00 177.39 178.70 1y4p h SER 49 N 0.82 0.00 -4.15 -1.43 4.64 -1.91 -3.44 113.55 108.07 1y4p h SER 49 Ca -0.09 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.87 1y4p h SER 49 Cb 1.41 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.35 1y4p h SER 49 CO 0.04 0.71 -0.65 0.42 -0.87 0.00 0.00 176.83 176.48 1y4p s THR 50 N -3.00 0.84 0.15 2.95 -4.23 -1.26 -5.03 115.64 106.06 1y4p s THR 50 Ca 0.02 -2.01 -0.20 0.00 -1.18 0.00 0.00 61.69 58.32 1y4p s THR 50 Cb 0.10 -2.36 0.04 0.00 1.34 0.00 0.00 72.50 71.62 1y4p s THR 50 CO 0.77 -0.29 1.66 -0.65 -0.54 0.00 0.00 174.62 175.57 1y4p h PRO 51 N 2.50 -0.11 -1.00 3.99 0.11 -1.99 -1.65 132.00 133.85 1y4p h PRO 51 Ca -0.38 0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.78 1y4p h PRO 51 Cb 1.22 0.03 -0.06 0.00 0.11 0.00 0.00 31.00 32.30 1y4p h PRO 51 CO 0.63 -0.07 0.66 -0.44 -0.21 0.00 0.00 178.00 178.57 1y4p h ASP 52 N -0.11 1.09 -0.75 -2.05 3.32 -1.98 0.16 116.42 116.10 1y4p h ASP 52 Ca 0.15 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 1y4p h ASP 52 Cb 0.34 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.61 1y4p h ASP 52 CO -0.36 0.74 0.47 0.00 -1.72 0.00 0.00 179.24 178.37 1y4p h ALA 53 N 1.42 1.41 0.01 3.45 0.00 -1.65 -2.05 119.26 121.84 1y4p h ALA 53 Ca 0.40 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 1y4p h ALA 53 Cb 0.02 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.51 1y4p h ALA 53 CO -0.13 0.52 -0.00 0.28 0.00 0.00 0.00 179.25 179.92 1y4p h VAL 54 N 1.03 1.58 -0.37 0.00 2.07 -0.66 -2.99 116.25 116.91 1y4p h VAL 54 Ca 0.27 -1.82 -0.06 0.00 0.82 0.00 0.00 66.70 65.91 1y4p h VAL 54 Cb -0.07 2.80 -0.02 0.00 -1.52 0.00 0.00 31.29 32.48 1y4p h VAL 54 CO -0.05 0.47 -0.03 0.24 0.02 0.00 0.00 177.57 178.21 1y4p h MET 55 N -0.80 0.59 -0.15 1.57 2.07 -0.64 -2.68 114.93 114.88 1y4p h MET 55 Ca -0.00 -0.14 0.00 0.00 -2.07 0.00 0.00 59.70 57.48 1y4p h MET 55 Cb 0.77 -0.08 0.00 0.00 -1.87 0.00 0.00 31.60 30.42 1y4p h MET 55 CO 0.00 0.63 0.00 0.41 1.07 0.00 0.00 176.91 179.02 1y4p n GLY 56 N -0.76 0.84 3.66 8.32 0.00 -0.78 -4.82 105.19 111.65 1y4p n GLY 56 Ca 0.02 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 1y4p n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1y4p s ASN 57 N -1.77 6.72 0.49 1.61 3.84 -1.01 -4.88 114.94 119.93 1y4p s ASN 57 Ca 0.34 2.14 0.24 0.00 0.21 0.00 0.00 52.86 55.79 1y4p s ASN 57 Cb 0.20 -2.53 1.25 0.00 -0.55 0.00 0.00 41.25 39.62 1y4p s ASN 57 CO 0.30 -0.89 2.00 -0.65 -2.79 0.00 0.00 177.10 175.07 1y4p h PRO 58 N 9.27 0.00 -0.08 0.43 0.11 -1.90 -1.44 132.00 138.39 1y4p h PRO 58 Ca -0.37 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.53 1y4p h PRO 58 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1y4p h PRO 58 CO 0.96 0.17 -0.79 0.87 -0.21 0.00 0.00 178.00 178.99 1y4p h LYS 59 N 0.00 0.51 -0.44 1.05 1.57 -1.89 -1.56 116.57 115.81 1y4p h LYS 59 Ca -0.00 -0.45 -0.01 0.00 -1.87 0.00 0.00 60.65 58.32 1y4p h LYS 59 Cb 0.42 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 1y4p h LYS 59 CO 0.02 1.08 0.23 0.28 -0.57 0.00 0.00 179.45 180.49 1y4p h VAL 60 N 0.34 1.17 -0.48 0.50 2.07 -1.67 -0.75 116.25 117.43 1y4p h VAL 60 Ca -0.05 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 1y4p h VAL 60 Cb 1.40 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 1y4p h VAL 60 CO 0.14 0.18 0.29 0.11 0.02 0.00 0.00 177.57 178.31 1y4p h LYS 61 N 0.57 0.66 -0.38 1.57 1.57 -1.26 0.66 116.57 119.96 1y4p h LYS 61 Ca 0.15 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.75 1y4p h LYS 61 Cb 0.09 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1y4p h LYS 61 CO -0.02 0.49 -0.23 0.00 -0.57 0.00 0.00 179.45 179.11 1y4p h ALA 62 N 1.13 0.88 -0.24 3.86 0.00 -1.17 -2.33 119.26 121.39 1y4p h ALA 62 Ca 0.17 -0.37 -0.17 0.00 0.00 0.00 0.00 54.91 54.54 1y4p h ALA 62 Cb 0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1y4p h ALA 62 CO -0.03 0.63 -0.54 1.25 0.00 0.00 0.00 179.25 180.56 1y4p h HIS 63 N 0.66 0.91 -0.94 0.00 -0.00 -0.88 -2.81 115.15 112.08 1y4p h HIS 63 Ca 0.09 -0.32 0.09 0.00 -0.00 0.00 0.00 60.37 60.23 1y4p h HIS 63 Cb 0.74 -0.17 -0.07 0.00 -0.00 0.00 0.00 27.41 27.91 1y4p h HIS 63 CO 0.04 1.10 0.61 0.78 -0.00 0.00 0.00 177.93 180.45 1y4p h GLY 64 N 0.88 1.41 1.01 5.26 0.00 -0.77 0.50 103.07 111.37 1y4p h GLY 64 Ca 0.01 -0.41 -0.07 0.00 0.00 0.00 0.00 47.33 46.86 1y4p h GLY 64 CO 0.11 0.25 0.05 1.70 0.00 0.00 0.00 176.54 178.65 1y4p h LYS 65 N 1.00 0.90 -0.37 4.80 3.64 -1.29 -1.58 116.57 123.68 1y4p h LYS 65 Ca 0.43 -0.26 -0.06 0.00 -1.27 0.00 0.00 60.65 59.49 1y4p h LYS 65 Cb 0.33 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1y4p h LYS 65 CO -0.18 0.90 0.01 -0.22 -2.27 0.00 0.00 179.45 177.68 1y4p h LYS 66 N 0.78 0.65 -0.35 1.90 3.64 -1.11 -0.41 116.57 121.67 1y4p h LYS 66 Ca 0.16 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1y4p h LYS 66 Cb 0.45 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 1y4p h LYS 66 CO 0.02 0.75 0.18 0.28 -2.27 0.00 0.00 179.45 178.41 1y4p h VAL 67 N 0.47 1.15 0.00 2.00 2.07 -0.80 -2.51 116.25 118.64 1y4p h VAL 67 Ca 0.11 -0.42 -0.11 0.00 0.82 0.00 0.00 66.70 67.10 1y4p h VAL 67 Cb 0.45 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1y4p h VAL 67 CO 0.02 0.16 -0.50 -0.07 0.02 0.00 0.00 177.57 177.20 1y4p h LEU 68 N 0.44 0.00 -0.34 2.57 3.38 -1.22 -2.00 115.31 118.14 1y4p h LEU 68 Ca 0.12 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 1y4p h LEU 68 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1y4p h LEU 68 CO -0.02 0.50 0.06 1.23 0.09 0.00 0.00 178.44 180.31 1y4p h GLY 69 N 2.66 0.59 1.13 0.83 0.00 -0.94 -0.18 103.07 107.16 1y4p h GLY 69 Ca -0.01 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 1y4p h GLY 69 CO 0.07 0.36 0.46 0.00 0.00 0.00 0.00 176.54 177.42 1y4p h ALA 70 N 0.90 1.25 -0.56 3.60 0.00 -1.15 -1.65 119.26 121.66 1y4p h ALA 70 Ca 0.10 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1y4p h ALA 70 Cb 0.33 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1y4p h ALA 70 CO 0.00 0.61 0.28 0.35 0.00 0.00 0.00 179.25 180.49 1y4p h PHE 71 N 1.15 0.79 -0.60 0.00 3.04 -1.13 -2.20 116.94 117.99 1y4p h PHE 71 Ca 0.29 -0.03 0.02 0.00 3.98 0.00 0.00 57.97 62.23 1y4p h PHE 71 Cb 0.02 -0.25 -0.04 0.00 2.56 0.00 0.00 35.95 38.24 1y4p h PHE 71 CO 0.01 0.60 0.37 0.77 -2.02 0.00 0.00 178.31 178.04 1y4p h SER 72 N 0.75 0.61 -0.44 0.41 0.02 -0.76 -1.97 113.55 112.18 1y4p h SER 72 Ca 0.19 -0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.15 1y4p h SER 72 Cb 0.10 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 1y4p h SER 72 CO -0.03 0.43 0.29 0.44 -1.14 0.00 0.00 176.83 176.82 1y4p h ASP 73 N 0.74 0.48 0.25 3.07 5.19 -0.87 0.42 116.42 125.70 1y4p h ASP 73 Ca 0.24 -0.01 -0.08 0.00 -0.62 0.00 0.00 57.03 56.56 1y4p h ASP 73 Cb 0.01 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.39 1y4p h ASP 73 CO -0.09 0.35 -0.32 1.23 -3.12 0.00 0.00 179.24 177.28 1y4p h GLY 74 N 0.57 0.11 2.00 2.75 0.00 -0.77 -2.04 103.07 105.69 1y4p h GLY 74 Ca 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1y4p h GLY 74 CO -0.04 0.08 0.00 1.41 0.00 0.00 0.00 176.54 177.99 1y4p h LEU 75 N 0.09 0.00 -0.89 3.11 3.38 -0.47 -1.18 115.31 119.35 1y4p h LEU 75 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1y4p h LEU 75 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1y4p h LEU 75 CO 0.04 0.00 -0.12 0.00 0.09 0.00 0.00 178.44 178.45 1y4p n ALA 76 N -1.80 2.80 -2.65 1.53 0.00 -0.77 -4.13 120.51 115.49 1y4p n ALA 76 Ca 0.01 -0.46 -0.09 0.00 0.00 0.00 0.00 53.44 52.90 1y4p n ALA 76 Cb 0.20 -1.10 0.03 0.00 0.00 0.00 0.00 19.45 18.58 1y4p n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1y4p n HIS 77 N -0.02 1.58 0.28 0.00 8.25 -0.46 -4.94 115.22 119.91 1y4p n HIS 77 Ca 0.16 -2.54 0.18 0.00 -0.26 0.00 0.00 57.72 55.25 1y4p n HIS 77 Cb 0.38 -0.29 0.90 0.00 1.12 0.00 0.00 29.99 32.10 1y4p n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1y4p h LEU 78 N 2.74 0.00 -0.48 2.41 3.38 -1.69 -0.93 115.31 120.74 1y4p h LEU 78 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1y4p h LEU 78 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1y4p h LEU 78 CO 0.45 0.00 -0.15 0.47 0.09 0.00 0.00 178.44 179.30 1y4p n ASP 79 N -3.26 0.90 -3.00 -0.43 8.00 -1.26 -4.31 116.55 113.19 1y4p n ASP 79 Ca -0.00 -0.91 -0.15 0.00 0.71 0.00 0.00 54.79 54.44 1y4p n ASP 79 Cb 0.33 0.04 0.01 0.00 -0.02 0.00 0.00 41.12 41.48 1y4p n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1y4p n ASN 80 N -0.60 -0.64 -0.17 -2.24 5.15 -0.35 -4.95 115.26 111.46 1y4p n ASN 80 Ca 0.15 -3.24 -0.10 0.00 -0.60 0.00 0.00 54.58 50.79 1y4p n ASN 80 Cb 0.32 0.46 0.02 0.00 -0.53 0.00 0.00 39.78 40.04 1y4p n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1y4p h LEU 81 N 3.19 1.02 -0.70 1.20 3.38 -1.75 -1.97 115.31 119.69 1y4p h LEU 81 Ca 0.01 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.61 1y4p h LEU 81 Cb 1.01 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 1y4p h LEU 81 CO 0.36 1.14 0.35 0.11 0.09 0.00 0.00 178.44 180.49 1y4p h LYS 82 N 0.89 0.99 -0.14 1.13 1.57 -1.92 -1.77 116.57 117.33 1y4p h LYS 82 Ca 0.13 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1y4p h LYS 82 Cb 0.70 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 1y4p h LYS 82 CO 0.05 0.77 -0.14 0.78 -0.57 0.00 0.00 179.45 180.35 1y4p h GLY 83 N 0.97 0.38 0.16 3.86 0.00 -1.92 -2.37 103.07 104.14 1y4p h GLY 83 Ca 0.24 -0.38 0.14 0.00 0.00 0.00 0.00 47.33 47.33 1y4p h GLY 83 CO -0.03 0.35 0.32 -0.84 0.00 0.00 0.00 176.54 176.34 1y4p h THR 84 N -0.03 0.67 -0.55 4.70 2.02 -1.22 -2.63 112.91 115.87 1y4p h THR 84 Ca 0.02 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.04 1y4p h THR 84 Cb 0.67 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 1y4p h THR 84 CO 0.03 0.09 0.00 0.49 0.37 0.00 0.00 175.52 176.50 1y4p n PHE 85 N -4.98 0.72 -0.03 3.16 3.72 -0.68 -4.67 117.46 114.70 1y4p n PHE 85 Ca 0.15 -0.36 -0.08 0.00 -0.05 0.00 0.00 57.45 57.10 1y4p n PHE 85 Cb 0.42 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.94 1y4p n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1y4p h ALA 86 N 4.42 -0.03 -0.21 4.37 0.00 -1.03 0.15 119.26 126.93 1y4p h ALA 86 Ca 0.00 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1y4p h ALA 86 Cb 0.97 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1y4p h ALA 86 CO 0.00 -0.59 -0.19 1.79 0.00 0.00 0.00 179.25 180.26 1y4p h THR 87 N -0.17 1.23 -0.23 0.00 1.35 -1.83 -2.06 112.91 111.20 1y4p h THR 87 Ca 0.12 -1.06 -0.17 0.00 -0.55 0.00 0.00 66.41 64.75 1y4p h THR 87 Cb 0.34 1.29 -0.00 0.00 -1.73 0.00 0.00 68.15 68.05 1y4p h THR 87 CO -0.29 0.33 -0.53 0.25 -0.25 0.00 0.00 175.52 175.04 1y4p h LEU 88 N 0.33 0.73 -0.12 3.87 5.85 -1.74 -2.14 115.31 122.10 1y4p h LEU 88 Ca 0.06 -0.38 0.01 0.00 0.84 0.00 0.00 57.88 58.40 1y4p h LEU 88 Cb 0.53 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1y4p h LEU 88 CO 0.04 1.12 0.05 -1.28 -0.34 0.00 0.00 178.44 178.03 1y4p h SER 89 N 0.52 0.07 -0.61 1.25 0.87 -0.22 -0.47 113.55 114.96 1y4p h SER 89 Ca 0.02 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1y4p h SER 89 Cb 1.09 -0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.01 1y4p h SER 89 CO 0.11 0.06 0.38 -0.33 -0.53 0.00 0.00 176.83 176.52 1y4p h GLU 90 N 0.12 0.82 -0.09 2.24 5.08 -1.38 -1.53 114.58 119.83 1y4p h GLU 90 Ca 0.05 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1y4p h GLU 90 Cb 0.02 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 1y4p h GLU 90 CO -0.04 0.57 -0.08 1.25 -1.00 0.00 0.00 179.01 179.71 1y4p h LEU 91 N 0.82 -0.24 -1.11 1.33 5.85 -1.14 0.76 115.31 121.59 1y4p h LEU 91 Ca 0.22 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.97 1y4p h LEU 91 Cb -0.05 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1y4p h LEU 91 CO -0.04 -0.11 0.34 0.45 -0.34 0.00 0.00 178.44 178.74 1y4p h HIS 92 N -0.09 0.96 0.27 1.25 3.86 -0.66 -0.95 115.15 119.79 1y4p h HIS 92 Ca 0.06 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 1y4p h HIS 92 Cb 0.18 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.35 1y4p h HIS 92 CO -0.19 0.69 -0.13 0.00 0.86 0.00 0.00 177.93 179.16 1y4p h ASP 94 N -0.83 0.23 0.00 0.00 3.32 -0.87 -2.99 116.42 115.28 1y4p h ASP 94 Ca -0.04 -0.18 -0.34 0.00 0.02 0.00 0.00 57.03 56.50 1y4p h ASP 94 Cb 0.27 -0.07 -0.06 0.00 0.22 0.00 0.00 39.33 39.69 1y4p h ASP 94 CO 0.06 0.94 -2.29 0.29 -1.72 0.00 0.00 179.24 176.52 1y4p n LYS 95 N -3.70 0.61 0.01 3.56 4.01 -0.40 -4.67 118.16 117.58 1y4p n LYS 95 Ca -0.03 0.12 0.11 0.00 -0.51 0.00 0.00 58.31 58.00 1y4p n LYS 95 Cb 0.76 -1.45 -0.11 0.00 -0.51 0.00 0.00 35.03 33.71 1y4p n LYS 95 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1y4p n LEU 96 N -3.13 0.37 -3.74 -0.35 4.77 -0.99 -5.00 117.00 108.94 1y4p n LEU 96 Ca -0.39 -0.06 -0.26 0.00 -0.03 0.00 0.00 56.01 55.27 1y4p n LEU 96 Cb 0.94 -0.02 0.05 0.00 -2.33 0.00 0.00 43.42 42.06 1y4p n LEU 96 CO 0.24 0.03 0.16 1.41 -1.33 0.00 0.00 177.39 177.89 1y4p n HIS 97 N -2.12 -2.52 -3.10 -1.77 8.25 -0.37 -4.94 115.22 108.65 1y4p n HIS 97 Ca -0.01 0.95 -0.41 0.00 -0.26 0.00 0.00 57.72 57.99 1y4p n HIS 97 Cb 0.50 -4.54 -0.06 0.00 1.12 0.00 0.00 29.99 27.01 1y4p n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1y4p s VAL 98 N -3.34 4.94 -0.08 1.59 1.01 -0.82 -5.02 120.40 118.67 1y4p s VAL 98 Ca 0.54 0.96 -0.32 0.00 0.00 0.00 0.00 61.98 63.16 1y4p s VAL 98 Cb -0.26 -4.00 -0.10 0.00 0.00 0.00 0.00 36.38 32.03 1y4p s VAL 98 CO 0.78 -0.11 1.99 -0.67 0.00 0.00 0.00 175.10 177.09 1y4p n ASP 99 N 5.87 3.60 0.32 3.32 -0.08 -1.26 -4.75 116.55 123.57 1y4p n ASP 99 Ca -0.00 0.79 0.15 0.00 -1.51 0.00 0.00 54.79 54.22 1y4p n ASP 99 Cb 0.49 -1.45 0.82 0.00 2.34 0.00 0.00 41.12 43.32 1y4p n ASP 99 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1y4p h PRO 100 N 10.84 0.00 -0.52 -0.67 0.11 -1.97 -0.56 132.00 139.24 1y4p h PRO 100 Ca -0.46 0.00 0.15 0.00 0.11 0.00 0.00 66.00 65.80 1y4p h PRO 100 Cb 1.26 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 1y4p h PRO 100 CO 0.95 0.00 0.39 1.49 -0.21 0.00 0.00 178.00 180.62 1y4p h GLU 101 N 0.00 0.00 -0.02 1.05 4.57 -1.99 -0.58 114.58 117.61 1y4p h GLU 101 Ca 0.00 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 1y4p h GLU 101 Cb 0.59 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.18 1y4p h GLU 101 CO 0.00 0.00 -0.16 -0.91 -1.18 0.00 0.00 179.01 176.76 1y4p h ASN 102 N 0.00 0.03 0.07 1.04 4.21 -1.46 -2.17 115.58 117.30 1y4p h ASN 102 Ca 0.25 -0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.67 1y4p h ASN 102 Cb 1.02 -0.01 -0.01 0.00 -1.12 0.00 0.00 38.32 38.20 1y4p h ASN 102 CO -0.00 0.19 -0.26 -0.26 -1.29 0.00 0.00 177.43 175.80 1y4p h PHE 103 N 0.03 0.35 -0.19 1.19 0.04 -1.30 -1.83 116.94 115.23 1y4p h PHE 103 Ca 0.00 -0.07 -0.19 0.00 2.80 0.00 0.00 57.97 60.51 1y4p h PHE 103 Cb 0.30 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.36 1y4p h PHE 103 CO 0.00 0.56 -0.65 0.00 -0.60 0.00 0.00 178.31 177.62 1y4p h ARG 104 N 0.28 0.71 -0.39 1.51 3.08 -1.45 -2.17 114.38 115.95 1y4p h ARG 104 Ca 0.04 -0.50 -0.02 0.00 0.07 0.00 0.00 59.98 59.57 1y4p h ARG 104 Cb 0.62 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.73 1y4p h ARG 104 CO 0.04 1.13 0.17 -0.07 -1.07 0.00 0.00 179.97 180.16 1y4p h LEU 105 N 0.52 0.53 -1.07 3.04 3.38 -1.15 -2.40 115.31 118.15 1y4p h LEU 105 Ca -0.01 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1y4p h LEU 105 Cb 1.24 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.82 1y4p h LEU 105 CO 0.13 0.54 0.52 0.25 0.09 0.00 0.00 178.44 179.96 1y4p h LEU 106 N 0.48 1.02 -0.32 1.67 5.85 -1.28 -0.85 115.31 121.88 1y4p h LEU 106 Ca 0.13 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.81 1y4p h LEU 106 Cb 0.17 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 1y4p h LEU 106 CO -0.01 0.78 0.16 1.23 -0.34 0.00 0.00 178.44 180.26 1y4p h GLY 107 N 1.19 0.43 1.48 3.75 0.00 -1.02 0.28 103.07 109.17 1y4p h GLY 107 Ca 0.31 -0.12 -0.14 0.00 0.00 0.00 0.00 47.33 47.38 1y4p h GLY 107 CO -0.06 0.10 -0.44 3.43 0.00 0.00 0.00 176.54 179.56 1y4p h ASN 108 N 0.34 0.61 -0.52 0.19 2.35 -1.12 -1.89 115.58 115.54 1y4p h ASN 108 Ca 0.13 -0.29 -0.04 0.00 -0.55 0.00 0.00 56.30 55.55 1y4p h ASN 108 Cb 0.03 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 1y4p h ASN 108 CO -0.08 0.97 0.15 0.58 -1.65 0.00 0.00 177.43 177.40 1y4p h VAL 109 N 0.46 1.24 -0.97 2.81 2.07 -0.57 -2.11 116.25 119.17 1y4p h VAL 109 Ca 0.03 -0.80 0.06 0.00 0.82 0.00 0.00 66.70 66.81 1y4p h VAL 109 Cb 0.96 0.77 -0.07 0.00 -1.52 0.00 0.00 31.29 31.44 1y4p h VAL 109 CO 0.09 0.30 0.62 0.25 0.02 0.00 0.00 177.57 178.84 1y4p h LEU 110 N 0.72 0.99 -0.86 2.57 5.85 -0.16 -0.54 115.31 123.88 1y4p h LEU 110 Ca 0.17 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.85 1y4p h LEU 110 Cb 0.29 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 1y4p h LEU 110 CO -0.00 0.64 0.25 0.58 -0.34 0.00 0.00 178.44 179.56 1y4p h VAL 111 N 1.13 1.25 -0.59 1.05 2.07 -1.05 -0.27 116.25 119.84 1y4p h VAL 111 Ca 0.42 -0.85 -0.06 0.00 0.82 0.00 0.00 66.70 67.03 1y4p h VAL 111 Cb 0.16 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 1y4p h VAL 111 CO -0.17 0.34 0.11 0.00 0.02 0.00 0.00 177.57 177.87 1y4p h VAL 113 N 0.89 1.24 -0.27 0.00 2.07 -0.58 -0.27 116.25 119.33 1y4p h VAL 113 Ca 0.19 -0.86 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 1y4p h VAL 113 Cb 0.36 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1y4p h VAL 113 CO 0.00 0.32 0.15 -0.07 0.02 0.00 0.00 177.57 177.99 1y4p h LEU 114 N 0.80 0.35 -0.81 2.57 3.38 -0.86 0.28 115.31 121.02 1y4p h LEU 114 Ca 0.18 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.07 1y4p h LEU 114 Cb 0.32 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 1y4p h LEU 114 CO -0.00 0.34 0.53 0.00 0.09 0.00 0.00 178.44 179.40 1y4p h ALA 115 N 1.02 1.04 -0.56 1.53 0.00 -1.18 -0.24 119.26 120.87 1y4p h ALA 115 Ca 0.10 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1y4p h ALA 115 Cb 0.07 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1y4p h ALA 115 CO -0.01 0.39 0.30 1.25 0.00 0.00 0.00 179.25 181.18 1y4p h HIS 116 N 1.06 0.78 -0.05 0.00 -0.00 -0.43 0.24 115.15 116.75 1y4p h HIS 116 Ca 0.31 -0.02 -0.20 0.00 -0.00 0.00 0.00 60.37 60.45 1y4p h HIS 116 Cb -0.07 -0.25 -0.00 0.00 -0.00 0.00 0.00 27.41 27.09 1y4p h HIS 116 CO -0.02 0.58 -0.81 0.45 -0.00 0.00 0.00 177.93 178.13 1y4p h HIS 117 N 0.76 0.60 -0.01 5.26 -0.00 -0.49 -3.35 115.15 117.92 1y4p h HIS 117 Ca 0.20 -0.29 0.00 0.00 -0.00 0.00 0.00 60.37 60.28 1y4p h HIS 117 Cb 0.07 -0.08 0.00 0.00 -0.00 0.00 0.00 27.41 27.39 1y4p h HIS 117 CO -0.01 1.07 -0.62 1.19 -0.00 0.00 0.00 177.93 179.56 1y4p n PHE 118 N -3.81 0.00 0.00 2.45 3.72 -0.14 -5.03 117.46 114.65 1y4p n PHE 118 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 1y4p n PHE 118 Cb 0.76 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.30 1y4p n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1y4p n GLY 119 N 1.33 3.04 0.30 1.37 0.00 0.06 -2.22 105.19 109.08 1y4p n GLY 119 Ca 0.05 0.07 0.07 0.00 0.00 0.00 0.00 46.02 46.22 1y4p n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1y4p h LYS 120 N 0.00 0.09 0.00 1.61 -0.00 -1.96 -0.76 116.57 115.55 1y4p h LYS 120 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 60.65 60.64 1y4p h LYS 120 Cb 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 32.23 32.21 1y4p h LYS 120 CO 0.00 0.06 0.19 1.49 -0.00 0.00 0.00 179.45 181.19 1y4p h GLU 121 N 0.09 0.00 -3.77 0.07 4.81 -1.85 -3.18 114.58 110.75 1y4p h GLU 121 Ca 0.46 0.00 -0.77 0.00 -0.13 0.00 0.00 59.36 58.92 1y4p h GLU 121 Cb 0.85 0.00 -0.20 0.00 0.63 0.00 0.00 28.75 30.03 1y4p h GLU 121 CO -0.73 0.00 1.40 0.34 -0.73 0.00 0.00 179.01 179.29 1y4p n PHE 122 N -2.94 3.72 -1.44 0.92 7.35 -0.29 -4.93 117.46 119.85 1y4p n PHE 122 Ca -0.02 -3.07 -0.30 0.00 -0.76 0.00 0.00 57.45 53.30 1y4p n PHE 122 Cb 0.25 -1.86 0.11 0.00 0.35 0.00 0.00 39.48 38.33 1y4p n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1y4p s THR 123 N -0.07 2.79 0.19 -2.13 -4.23 -1.20 -4.73 115.64 106.25 1y4p s THR 123 Ca 0.38 0.26 -0.16 0.00 -1.18 0.00 0.00 61.69 60.98 1y4p s THR 123 Cb 0.03 -2.92 0.15 0.00 1.34 0.00 0.00 72.50 71.10 1y4p s THR 123 CO 0.01 -0.34 1.64 -0.65 -0.54 0.00 0.00 174.62 174.75 1y4p h PRO 124 N -1.30 -0.04 -0.50 3.99 0.11 -1.94 0.26 132.00 132.58 1y4p h PRO 124 Ca -0.48 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 1y4p h PRO 124 Cb 1.28 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 1y4p h PRO 124 CO 0.58 -0.03 0.31 -1.35 -0.21 0.00 0.00 178.00 177.31 1y4p h PRO 125 N -0.04 0.67 -0.27 1.05 0.11 -2.00 -0.99 132.00 130.53 1y4p h PRO 125 Ca 0.24 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 66.14 1y4p h PRO 125 Cb 0.41 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.37 1y4p h PRO 125 CO -0.54 0.46 -0.49 0.28 -0.21 0.00 0.00 178.00 177.51 1y4p h VAL 126 N 0.68 1.29 -0.46 3.15 2.07 -1.70 -2.61 116.25 118.67 1y4p h VAL 126 Ca 0.18 -1.68 -0.05 0.00 0.82 0.00 0.00 66.70 65.97 1y4p h VAL 126 Cb -0.04 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 1y4p h VAL 126 CO -0.04 0.54 0.10 -0.61 0.02 0.00 0.00 177.57 177.58 1y4p h GLN 127 N 0.59 0.74 -0.75 1.57 4.15 -0.41 -2.17 115.11 118.84 1y4p h GLN 127 Ca 0.03 -0.19 0.08 0.00 0.77 0.00 0.00 58.65 59.34 1y4p h GLN 127 Cb 1.05 -0.09 -0.05 0.00 0.21 0.00 0.00 27.48 28.60 1y4p h GLN 127 CO 0.10 0.75 0.49 0.00 -1.93 0.00 0.00 178.83 178.24 1y4p h ALA 128 N 0.96 1.74 -0.12 3.38 0.00 -1.08 0.29 119.26 124.42 1y4p h ALA 128 Ca 0.14 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.81 1y4p h ALA 128 Cb 0.35 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.97 1y4p h ALA 128 CO 0.00 0.13 -0.80 0.00 0.00 0.00 0.00 179.25 178.58 1y4p h ALA 129 N 1.61 0.34 -0.45 0.00 0.00 -1.11 -2.80 119.26 116.85 1y4p h ALA 129 Ca 0.33 -0.62 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 1y4p h ALA 129 Cb 0.34 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1y4p h ALA 129 CO -0.12 0.70 -0.04 1.88 0.00 0.00 0.00 179.25 181.67 1y4p h TYR 130 N 0.47 0.83 -0.71 0.00 0.05 -0.74 -2.23 116.97 114.64 1y4p h TYR 130 Ca -0.06 -0.13 0.01 0.00 0.05 0.00 0.00 58.73 58.61 1y4p h TYR 130 Cb 1.43 -0.22 -0.04 0.00 1.01 0.00 0.00 36.73 38.91 1y4p h TYR 130 CO 0.08 0.79 0.46 1.96 -1.05 0.00 0.00 178.16 180.41 1y4p h GLN 131 N 0.71 0.91 -0.66 4.88 1.08 -0.94 0.16 115.11 121.24 1y4p h GLN 131 Ca 0.13 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.26 1y4p h GLN 131 Cb 0.50 -0.21 -0.03 0.00 -0.05 0.00 0.00 27.48 27.69 1y4p h GLN 131 CO 0.03 0.60 0.34 0.87 -0.95 0.00 0.00 178.83 179.72 1y4p h LYS 132 N 0.94 0.94 -0.26 1.46 1.57 -1.21 -2.12 116.57 117.89 1y4p h LYS 132 Ca 0.27 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.89 1y4p h LYS 132 Cb -0.08 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.05 1y4p h LYS 132 CO -0.07 0.72 0.03 0.28 -0.57 0.00 0.00 179.45 179.84 1y4p h VAL 133 N 0.91 1.24 -0.63 0.50 2.07 -0.87 -0.41 116.25 119.05 1y4p h VAL 133 Ca 0.23 -0.82 -0.06 0.00 0.82 0.00 0.00 66.70 66.88 1y4p h VAL 133 Cb 0.08 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 1y4p h VAL 133 CO -0.03 0.26 0.17 -0.37 0.02 0.00 0.00 177.57 177.62 1y4p h VAL 134 N 0.24 1.24 -0.64 2.57 -1.51 -0.65 -1.16 116.25 116.33 1y4p h VAL 134 Ca 0.08 -0.86 -0.07 0.00 -1.23 0.00 0.00 66.70 64.61 1y4p h VAL 134 Cb 0.36 0.57 -0.03 0.00 -2.13 0.00 0.00 31.29 30.06 1y4p h VAL 134 CO 0.01 0.33 0.13 0.00 -1.23 0.00 0.00 177.57 176.81 1y4p h ALA 135 N 1.25 0.85 -0.31 5.19 0.00 -1.29 -0.62 119.26 124.33 1y4p h ALA 135 Ca 0.20 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1y4p h ALA 135 Cb 0.30 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1y4p h ALA 135 CO -0.00 0.59 0.16 0.78 0.00 0.00 0.00 179.25 180.78 1y4p h GLY 136 N 0.97 0.46 0.98 0.00 0.00 -0.80 0.46 103.07 105.14 1y4p h GLY 136 Ca 0.20 -0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.29 1y4p h GLY 136 CO 0.01 0.21 0.25 -2.08 0.00 0.00 0.00 176.54 174.92 1y4p h VAL 137 N 0.38 1.21 -0.77 4.60 2.07 -1.00 -0.80 116.25 121.94 1y4p h VAL 137 Ca 0.11 -0.63 -0.00 0.00 0.82 0.00 0.00 66.70 67.00 1y4p h VAL 137 Cb 0.07 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 1y4p h VAL 137 CO -0.02 0.25 0.48 0.00 0.02 0.00 0.00 177.57 178.30 1y4p h ALA 138 N 1.09 0.98 -0.64 1.67 0.00 -0.85 -0.53 119.26 120.98 1y4p h ALA 138 Ca 0.19 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1y4p h ALA 138 Cb 0.16 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1y4p h ALA 138 CO -0.02 0.43 0.10 -0.91 0.00 0.00 0.00 179.25 178.85 1y4p h ASN 139 N 1.05 1.00 -0.30 0.00 2.35 -0.55 -2.38 115.58 116.74 1y4p h ASN 139 Ca 0.28 -0.23 -0.11 0.00 -0.55 0.00 0.00 56.30 55.69 1y4p h ASN 139 Cb -0.07 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.02 1y4p h ASN 139 CO -0.05 0.99 -0.20 0.00 -1.65 0.00 0.00 177.43 176.51 1y4p h ALA 140 N 1.13 0.90 0.00 -0.83 0.00 -0.81 -2.58 119.26 117.07 1y4p h ALA 140 Ca 0.20 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1y4p h ALA 140 Cb 0.42 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1y4p h ALA 140 CO 0.01 0.62 0.00 -0.07 0.00 0.00 0.00 179.25 179.81 1y4p h LEU 141 N 0.67 0.00 -0.78 0.00 3.38 -0.85 -2.68 115.31 115.05 1y4p h LEU 141 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1y4p h LEU 141 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1y4p h LEU 141 CO 0.05 0.00 -0.25 0.00 0.09 0.00 0.00 178.44 178.33 1y4p n ALA 142 N -2.07 3.08 0.12 1.53 0.00 -0.92 -4.41 120.51 117.83 1y4p n ALA 142 Ca 0.01 -0.49 -0.02 0.00 0.00 0.00 0.00 53.44 52.95 1y4p n ALA 142 Cb 0.35 -1.04 0.22 0.00 0.00 0.00 0.00 19.45 18.98 1y4p n ALA 142 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1y4p h HIS 143 N 1.91 0.16 -0.41 0.00 2.07 -1.11 -2.55 115.15 115.22 1y4p h HIS 143 Ca 0.00 -0.05 0.00 0.00 -2.85 0.00 0.00 60.37 57.47 1y4p h HIS 143 Cb 0.60 -0.03 0.00 0.00 2.57 0.00 0.00 27.41 30.55 1y4p h HIS 143 CO 0.00 0.60 0.00 1.63 -3.07 0.00 0.00 177.93 177.09 1y4p n LYS 144 N -3.95 1.99 -2.40 5.12 4.76 -1.26 -4.92 118.16 117.49 1y4p n LYS 144 Ca -0.02 -1.50 -0.37 0.00 -2.87 0.00 0.00 58.31 53.56 1y4p n LYS 144 Cb 0.53 -1.34 -0.02 0.00 -1.84 0.00 0.00 35.03 32.36 1y4p n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1y4p s TYR 145 N -1.46 3.07 0.00 2.13 1.51 -0.96 -4.72 117.35 116.92 1y4p s TYR 145 Ca 0.28 1.59 0.00 0.00 -1.01 0.00 0.00 57.07 57.92 1y4p s TYR 145 Cb 0.15 -3.26 0.00 0.00 -0.11 0.00 0.00 41.96 38.74 1y4p s TYR 145 CO 0.19 -1.08 0.00 -2.39 -1.11 0.00 0.00 175.55 171.16