#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 4.44 0.39 7.52 1.43 -1.26 -5.06 118.68 126.14 1y4p s LEU 2 Ca 0.00 2.51 0.07 0.00 -1.03 0.00 0.00 54.13 55.69 1y4p s LEU 2 Cb 0.00 -3.69 0.00 0.00 0.03 0.00 0.00 46.19 42.54 1y4p s LEU 2 CO 0.00 -0.42 0.53 -0.94 0.23 0.00 0.00 176.35 175.75 1y4p s SER 3 N -0.69 5.77 0.23 2.29 1.04 -1.26 -4.96 113.70 116.12 1y4p s SER 3 Ca 0.48 -0.34 -0.06 0.00 0.48 0.00 0.00 55.95 56.52 1y4p s SER 3 Cb -0.36 -0.86 0.39 0.00 0.10 0.00 0.00 66.02 65.29 1y4p s SER 3 CO 0.47 -0.64 1.75 -0.65 0.98 0.00 0.00 173.24 175.15 1y4p h PRO 4 N 0.73 0.49 -0.73 4.02 0.11 -2.00 -1.61 132.00 133.01 1y4p h PRO 4 Ca -0.42 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.61 1y4p h PRO 4 Cb 1.27 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 1y4p h PRO 4 CO 0.48 0.33 0.26 0.00 -0.21 0.00 0.00 178.00 178.86 1y4p h ALA 5 N 1.48 1.09 -0.51 -0.75 0.00 -2.00 -2.39 119.26 116.18 1y4p h ALA 5 Ca 0.38 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1y4p h ALA 5 Cb 0.49 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1y4p h ALA 5 CO -0.34 0.64 0.31 -0.44 0.00 0.00 0.00 179.25 179.43 1y4p h ASP 6 N 1.07 0.52 -0.40 0.00 3.32 -1.70 0.12 116.42 119.35 1y4p h ASP 6 Ca 0.24 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.29 1y4p h ASP 6 Cb 0.24 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 1y4p h ASP 6 CO -0.02 0.37 0.23 0.11 -1.72 0.00 0.00 179.24 178.21 1y4p h LYS 7 N 0.63 0.54 -0.52 3.56 1.57 -1.12 -0.13 116.57 121.10 1y4p h LYS 7 Ca 0.20 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.94 1y4p h LYS 7 Cb -0.00 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 1y4p h LYS 7 CO -0.08 0.43 0.33 1.15 -0.57 0.00 0.00 179.45 180.70 1y4p h THR 8 N 0.51 1.09 -0.91 -0.16 2.02 -1.03 -1.37 112.91 113.07 1y4p h THR 8 Ca 0.14 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 1y4p h THR 8 Cb 0.03 0.38 -0.04 0.00 -1.74 0.00 0.00 68.15 66.78 1y4p h THR 8 CO -0.02 0.12 0.52 0.78 0.37 0.00 0.00 175.52 177.28 1y4p h ASN 9 N 0.66 1.12 -0.23 4.18 -0.26 -0.13 -1.92 115.58 119.00 1y4p h ASN 9 Ca 0.20 -0.09 -0.16 0.00 -0.56 0.00 0.00 56.30 55.69 1y4p h ASN 9 Cb -0.03 -0.28 0.00 0.00 -1.06 0.00 0.00 38.32 36.95 1y4p h ASN 9 CO -0.07 0.88 -0.49 0.58 -1.06 0.00 0.00 177.43 177.27 1y4p h VAL 10 N 1.27 1.30 -0.66 2.81 2.07 -0.54 -2.24 116.25 120.26 1y4p h VAL 10 Ca 0.32 -1.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.13 1y4p h VAL 10 Cb -0.00 1.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 1y4p h VAL 10 CO -0.06 0.54 0.38 0.11 0.02 0.00 0.00 177.57 178.56 1y4p h LYS 11 N 0.46 0.91 -0.19 1.57 1.57 -1.18 0.68 116.57 120.38 1y4p h LYS 11 Ca 0.00 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 1y4p h LYS 11 Cb 1.10 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.22 1y4p h LYS 11 CO 0.11 0.67 0.05 0.00 -0.57 0.00 0.00 179.45 179.71 1y4p h ALA 12 N 1.19 0.25 -0.16 3.86 0.00 -1.31 0.87 119.26 123.96 1y4p h ALA 12 Ca 0.23 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1y4p h ALA 12 Cb 0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1y4p h ALA 12 CO -0.04 -0.12 0.01 0.00 0.00 0.00 0.00 179.25 179.11 1y4p h ALA 13 N 0.87 0.21 -0.24 0.00 0.00 -1.31 -2.11 119.26 116.68 1y4p h ALA 13 Ca 0.06 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1y4p h ALA 13 Cb 0.25 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1y4p h ALA 13 CO -0.00 -0.10 -0.24 2.35 0.00 0.00 0.00 179.25 181.26 1y4p h TRP 14 N 0.04 0.49 -0.87 0.00 2.91 -0.82 -2.04 115.95 115.66 1y4p h TRP 14 Ca 0.05 -0.10 0.01 0.00 1.13 0.00 0.00 58.89 59.97 1y4p h TRP 14 Cb 0.34 -0.12 -0.04 0.00 -0.51 0.00 0.00 29.16 28.82 1y4p h TRP 14 CO 0.03 0.65 0.57 0.78 -1.03 0.00 0.00 178.44 179.44 1y4p h GLY 15 N 1.01 1.24 2.00 2.65 0.00 -0.63 -1.60 103.07 107.73 1y4p h GLY 15 Ca 0.06 -0.47 -0.07 0.00 0.00 0.00 0.00 47.33 46.85 1y4p h GLY 15 CO 0.05 0.46 -0.32 0.50 0.00 0.00 0.00 176.54 177.23 1y4p h LYS 16 N 1.19 0.00 -0.20 4.80 1.79 -0.68 -2.53 116.57 120.94 1y4p h LYS 16 Ca 0.32 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.76 1y4p h LYS 16 Cb -0.12 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.52 1y4p h LYS 16 CO -0.07 0.32 0.02 0.28 -1.08 0.00 0.00 179.45 178.92 1y4p h VAL 17 N 0.00 1.24 0.00 0.50 2.07 -0.91 -3.46 116.25 115.68 1y4p h VAL 17 Ca -0.00 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.72 1y4p h VAL 17 Cb 0.70 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1y4p h VAL 17 CO 0.04 0.24 0.00 0.61 0.02 0.00 0.00 177.57 178.48 1y4p n GLY 18 N -0.38 2.83 1.12 2.17 0.00 -0.82 -1.60 105.19 108.51 1y4p n GLY 18 Ca -0.04 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 8.96 2.52 0.16 4.61 0.00 -1.26 -2.67 120.51 132.83 1y4p n ALA 19 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1y4p n ALA 19 Cb 0.00 -1.04 -0.01 0.00 0.00 0.00 0.00 19.45 18.40 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 0.81 0.00 -0.28 0.00 -0.00 -0.63 -4.80 115.22 110.32 1y4p n HIS 20 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.60 1y4p n HIS 20 Cb 0.39 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.28 1y4p n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1y4p h ALA 21 N 0.58 -0.66 -0.65 -1.41 0.00 -1.66 0.68 119.26 116.14 1y4p h ALA 21 Ca 0.00 0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.06 1y4p h ALA 21 Cb 0.11 1.26 -0.11 0.00 0.00 0.00 0.00 17.79 19.04 1y4p h ALA 21 CO 0.00 -1.00 -0.47 0.78 0.00 0.00 0.00 179.25 178.55 1y4p h GLY 22 N -0.19 -0.55 0.79 0.00 0.00 -1.86 0.46 103.07 101.71 1y4p h GLY 22 Ca 0.12 0.62 0.06 0.00 0.00 0.00 0.00 47.33 48.12 1y4p h GLY 22 CO -0.77 -0.13 0.64 -2.09 0.00 0.00 0.00 176.54 174.20 1y4p h GLU 23 N -0.20 1.14 -0.07 4.80 4.81 -1.58 -2.06 114.58 121.43 1y4p h GLU 23 Ca 0.18 -0.07 -0.18 0.00 -0.13 0.00 0.00 59.36 59.16 1y4p h GLU 23 Cb 0.55 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 1y4p h GLU 23 CO -0.74 0.75 -0.73 1.88 -0.73 0.00 0.00 179.01 179.45 1y4p h TYR 24 N 1.17 0.47 -0.86 0.92 0.05 0.16 -2.30 116.97 116.58 1y4p h TYR 24 Ca 0.42 -0.21 -0.00 0.00 0.05 0.00 0.00 58.73 58.98 1y4p h TYR 24 Cb 0.13 -0.07 -0.04 0.00 1.01 0.00 0.00 36.73 37.76 1y4p h TYR 24 CO -0.00 0.96 0.52 0.78 -1.05 0.00 0.00 178.16 179.37 1y4p h GLY 25 N 1.38 1.24 1.04 3.88 0.00 0.14 0.03 103.07 110.79 1y4p h GLY 25 Ca -0.03 -0.51 -0.14 0.00 0.00 0.00 0.00 47.33 46.65 1y4p h GLY 25 CO 0.12 0.50 -0.32 0.00 0.00 0.00 0.00 176.54 176.83 1y4p h ALA 26 N 1.28 0.50 -0.82 3.60 0.00 -1.27 -1.76 119.26 120.79 1y4p h ALA 26 Ca 0.31 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1y4p h ALA 26 Cb -0.05 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 1y4p h ALA 26 CO -0.06 0.55 0.47 1.49 0.00 0.00 0.00 179.25 181.70 1y4p h GLU 27 N 0.60 1.13 -0.79 0.00 4.81 -1.17 -0.97 114.58 118.18 1y4p h GLU 27 Ca 0.06 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.12 1y4p h GLU 27 Cb 0.91 -0.23 -0.04 0.00 0.63 0.00 0.00 28.75 30.02 1y4p h GLU 27 CO 0.08 0.82 0.33 0.00 -0.73 0.00 0.00 179.01 179.50 1y4p h ALA 28 N 1.25 1.03 -0.32 2.92 0.00 -0.70 0.21 119.26 123.65 1y4p h ALA 28 Ca 0.29 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1y4p h ALA 28 Cb -0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1y4p h ALA 28 CO -0.05 0.64 0.16 -0.07 0.00 0.00 0.00 179.25 179.93 1y4p h LEU 29 N 1.15 0.41 -0.41 0.00 3.38 -0.92 -0.85 115.31 118.07 1y4p h LEU 29 Ca 0.27 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1y4p h LEU 29 Cb 0.20 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1y4p h LEU 29 CO -0.02 0.41 0.25 -0.08 0.09 0.00 0.00 178.44 179.08 1y4p h GLU 30 N 0.38 0.56 -0.82 1.13 4.81 -0.65 -0.60 114.58 119.38 1y4p h GLU 30 Ca 0.11 -0.05 0.09 0.00 -0.13 0.00 0.00 59.36 59.38 1y4p h GLU 30 Cb 0.11 -0.12 -0.07 0.00 0.63 0.00 0.00 28.75 29.30 1y4p h GLU 30 CO -0.01 0.42 0.47 0.00 -0.73 0.00 0.00 179.01 179.16 1y4p h ARG 31 N 0.54 0.79 -0.37 1.92 3.08 -0.84 -2.10 114.38 117.40 1y4p h ARG 31 Ca 0.15 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 60.07 1y4p h ARG 31 Cb 0.01 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 1y4p h ARG 31 CO -0.03 0.52 -0.08 1.98 -1.07 0.00 0.00 179.97 181.29 1y4p h MET 32 N 0.81 0.71 -0.38 0.04 4.05 -0.28 -0.40 114.93 119.47 1y4p h MET 32 Ca 0.39 -0.27 -0.07 0.00 -0.28 0.00 0.00 59.70 59.47 1y4p h MET 32 Cb 0.33 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.07 1y4p h MET 32 CO -0.23 0.86 -0.06 0.74 0.23 0.00 0.00 176.91 178.44 1y4p h PHE 33 N 0.51 0.68 0.16 1.39 0.04 -0.84 0.68 116.94 119.56 1y4p h PHE 33 Ca 0.10 -0.10 -0.29 0.00 2.80 0.00 0.00 57.97 60.47 1y4p h PHE 33 Cb 0.59 -0.19 0.02 0.00 2.20 0.00 0.00 35.95 38.57 1y4p h PHE 33 CO 0.05 0.68 -1.31 -0.07 -0.60 0.00 0.00 178.31 177.07 1y4p h LEU 34 N 0.60 0.59 0.08 1.54 3.38 -1.32 -3.23 115.31 116.94 1y4p h LEU 34 Ca 0.11 -0.62 -0.27 0.00 0.09 0.00 0.00 57.88 57.20 1y4p h LEU 34 Cb 0.46 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1y4p h LEU 34 CO 0.02 1.48 -1.31 0.28 0.09 0.00 0.00 178.44 179.00 1y4p h SER 35 N 0.12 0.25 -2.70 -0.43 0.02 -0.93 -3.40 113.55 106.47 1y4p h SER 35 Ca -0.17 -0.31 -0.60 0.00 -0.84 0.00 0.00 61.79 59.87 1y4p h SER 35 Cb 2.02 -0.08 -0.40 0.00 0.14 0.00 0.00 62.40 64.07 1y4p h SER 35 CO 0.23 1.25 -0.77 0.49 -1.14 0.00 0.00 176.83 176.89 1y4p n PHE 36 N -3.41 1.33 0.30 3.45 3.72 0.22 -5.00 117.46 118.08 1y4p n PHE 36 Ca -0.09 -3.84 0.16 0.00 -0.05 0.00 0.00 57.45 53.62 1y4p n PHE 36 Cb 1.01 -0.23 0.95 0.00 -0.94 0.00 0.00 39.48 40.27 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 5.40 0.00 0.00 -1.08 0.11 -1.73 -1.50 132.00 133.20 1y4p h PRO 37 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 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 0.00 1.79 -0.21 0.00 0.00 178.00 180.14 1y4p h THR 38 N 0.00 0.00 0.00 -1.15 1.35 -1.92 -2.25 112.91 108.95 1y4p h THR 38 Ca -0.00 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 1y4p h THR 38 Cb 0.00 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.46 1y4p h THR 38 CO 0.00 0.00 0.00 0.71 -0.25 0.00 0.00 175.52 175.98 1y4p h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.60 -2.69 112.91 116.79 1y4p h THR 39 Ca 0.00 -0.47 -0.03 0.00 -0.55 0.00 0.00 66.41 65.35 1y4p h THR 39 Cb 0.08 1.45 -0.00 0.00 -1.73 0.00 0.00 68.15 67.95 1y4p h THR 39 CO 0.00 0.00 -0.16 0.11 -0.25 0.00 0.00 175.52 175.22 1y4p h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.61 -2.94 116.57 118.31 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 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1y4p h LYS 40 CO 0.00 0.16 0.15 1.79 -0.57 0.00 0.00 179.45 180.99 1y4p h THR 41 N 0.00 0.00 -0.01 -0.16 1.35 -1.66 0.16 112.91 112.60 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 0.58 0.70 0.00 0.00 -1.73 0.00 0.00 68.15 67.70 1y4p h THR 41 CO 0.02 0.00 -0.33 -1.22 -0.25 0.00 0.00 175.52 173.74 1y4p n TYR 42 N -2.73 0.00 -2.55 4.73 4.01 -1.11 -4.34 117.16 115.17 1y4p n TYR 42 Ca -0.02 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.54 1y4p n TYR 42 Cb 0.20 -0.10 0.02 0.00 -0.31 0.00 0.00 39.34 39.15 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 -0.56 2.33 0.28 -0.72 3.01 0.57 -4.86 117.46 117.52 1y4p n PHE 43 Ca 0.11 -2.92 0.17 0.00 1.01 0.00 0.00 57.45 55.82 1y4p n PHE 43 Cb 0.37 -0.23 0.65 0.00 -0.01 0.00 0.00 39.48 40.26 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 2.75 0.00 -0.00 -1.08 0.13 -1.75 -2.44 132.00 129.61 1y4p h PRO 44 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1y4p h PRO 44 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1y4p h PRO 44 CO 0.67 0.00 -0.33 -2.39 -0.23 0.00 0.00 178.00 175.72 1y4p n HIS 45 N -3.04 0.00 -3.22 1.56 1.44 -1.26 -4.90 115.22 105.80 1y4p n HIS 45 Ca 0.01 0.00 -0.28 0.00 -2.01 0.00 0.00 57.72 55.44 1y4p n HIS 45 Cb 0.31 -0.22 -0.03 0.00 0.12 0.00 0.00 29.99 30.18 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 -2.76 3.48 -0.23 -1.40 0.40 -0.92 -5.07 117.98 111.48 1y4p s PHE 46 Ca 0.18 0.68 -0.23 0.00 -0.60 0.00 0.00 56.93 56.97 1y4p s PHE 46 Cb 0.19 -2.15 -0.01 0.00 0.51 0.00 0.00 43.02 41.56 1y4p s PHE 46 CO 0.60 0.10 0.73 0.34 0.70 0.00 0.00 175.22 177.68 1y4p s ASP 47 N -3.31 6.73 -0.26 1.36 2.15 -1.26 -4.96 116.67 117.12 1y4p s ASP 47 Ca 0.45 0.90 0.12 0.00 0.43 0.00 0.00 52.55 54.45 1y4p s ASP 47 Cb -0.10 -2.39 0.58 0.00 -0.30 0.00 0.00 42.92 40.70 1y4p s ASP 47 CO 0.32 -0.42 1.54 0.18 -0.17 0.00 0.00 175.17 176.62 1y4p n LEU 48 N 5.68 4.56 -4.79 -1.34 4.77 -1.26 -4.45 117.00 120.17 1y4p n LEU 48 Ca 0.02 -3.31 -0.35 0.00 -0.03 0.00 0.00 56.01 52.34 1y4p n LEU 48 Cb 0.48 -0.63 -0.03 0.00 -2.33 0.00 0.00 43.42 40.92 1y4p n LEU 48 CO 0.45 0.89 0.74 -0.94 -1.33 0.00 0.00 177.39 177.20 1y4p s SER 49 N -1.90 6.37 0.08 -1.43 1.04 -1.26 -4.94 113.70 111.67 1y4p s SER 49 Ca 0.46 2.02 -0.37 0.00 0.48 0.00 0.00 55.95 58.54 1y4p s SER 49 Cb 0.39 -2.57 -0.17 0.00 0.10 0.00 0.00 66.02 63.76 1y4p s SER 49 CO 0.07 -0.76 1.26 1.57 0.98 0.00 0.00 173.24 176.36 1y4p n HIS 50 N -0.72 1.31 -0.96 5.02 -0.00 -1.26 -0.61 115.22 118.00 1y4p n HIS 50 Ca 0.08 0.72 0.00 0.00 0.46 0.00 0.00 57.72 58.98 1y4p n HIS 50 Cb 0.51 -2.28 0.00 0.00 -0.12 0.00 0.00 29.99 28.10 1y4p n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1y4p n GLY 51 N 2.27 0.76 3.46 1.57 0.00 -1.26 -4.99 105.19 107.01 1y4p n GLY 51 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1y4p n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1y4p n SER 52 N -0.03 -0.86 0.09 1.61 2.88 0.22 -4.85 113.62 112.68 1y4p n SER 52 Ca 0.00 0.87 -0.04 0.00 -1.33 0.00 0.00 58.87 58.37 1y4p n SER 52 Cb 0.02 -1.14 -0.03 0.00 -0.75 0.00 0.00 64.21 62.31 1y4p n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1y4p h ALA 53 N 0.69 0.53 -0.29 -1.46 0.00 -1.89 -2.32 119.26 114.53 1y4p h ALA 53 Ca -0.42 -0.75 -0.16 0.00 0.00 0.00 0.00 54.91 53.58 1y4p h ALA 53 Cb 1.40 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1y4p h ALA 53 CO 0.50 1.03 -0.46 1.96 0.00 0.00 0.00 179.25 182.28 1y4p h GLN 54 N 0.00 0.75 0.32 0.00 4.20 -1.90 -1.28 115.11 117.20 1y4p h GLN 54 Ca -0.01 -0.43 -0.02 0.00 0.06 0.00 0.00 58.65 58.26 1y4p h GLN 54 Cb 1.56 0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.37 1y4p h GLN 54 CO 0.11 1.05 -0.15 0.28 -0.67 0.00 0.00 178.83 179.45 1y4p h VAL 55 N 0.60 0.70 -0.36 -0.54 2.07 -1.77 -0.27 116.25 116.68 1y4p h VAL 55 Ca 0.03 -0.16 0.07 0.00 0.82 0.00 0.00 66.70 67.46 1y4p h VAL 55 Cb 1.03 0.79 -0.07 0.00 -1.52 0.00 0.00 31.29 31.52 1y4p h VAL 55 CO 0.10 0.03 -0.07 0.11 0.02 0.00 0.00 177.57 177.76 1y4p h LYS 56 N -0.52 0.02 -0.82 1.57 1.79 -1.42 -0.63 116.57 116.57 1y4p h LYS 56 Ca -0.04 -0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.43 1y4p h LYS 56 Cb 0.39 -0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.99 1y4p h LYS 56 CO 0.07 0.01 0.53 0.78 -1.08 0.00 0.00 179.45 179.77 1y4p h GLY 57 N 0.02 1.15 1.92 3.86 0.00 -1.09 -1.78 103.07 107.14 1y4p h GLY 57 Ca 0.17 -0.44 -0.19 0.00 0.00 0.00 0.00 47.33 46.87 1y4p h GLY 57 CO -0.35 0.43 -0.90 0.84 0.00 0.00 0.00 176.54 176.55 1y4p h HIS 58 N 1.11 0.11 -0.49 5.60 -0.00 -0.72 -2.89 115.15 117.87 1y4p h HIS 58 Ca 0.30 -0.07 0.02 0.00 -0.00 0.00 0.00 60.37 60.62 1y4p h HIS 58 Cb -0.12 -0.01 -0.03 0.00 -0.00 0.00 0.00 27.41 27.25 1y4p h HIS 58 CO 0.00 0.93 0.29 0.78 -0.00 0.00 0.00 177.93 179.93 1y4p h GLY 59 N 2.37 0.68 0.99 5.26 0.00 -0.48 -1.75 103.07 110.15 1y4p h GLY 59 Ca -0.03 -0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 1y4p h GLY 59 CO 0.13 0.19 0.27 1.70 0.00 0.00 0.00 176.54 178.82 1y4p h LYS 60 N 0.58 0.86 -0.48 4.80 3.64 -1.25 -1.61 116.57 123.10 1y4p h LYS 60 Ca 0.19 -0.14 -0.09 0.00 -1.27 0.00 0.00 60.65 59.35 1y4p h LYS 60 Cb 0.01 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 1y4p h LYS 60 CO -0.09 0.71 -0.05 0.87 -2.27 0.00 0.00 179.45 178.62 1y4p h LYS 61 N 0.81 0.84 -0.34 1.90 1.57 -1.24 0.17 116.57 120.27 1y4p h LYS 61 Ca 0.20 -0.26 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 1y4p h LYS 61 Cb 0.14 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1y4p h LYS 61 CO -0.02 0.87 -0.01 0.28 -0.57 0.00 0.00 179.45 180.00 1y4p h VAL 62 N 0.77 1.26 -0.57 0.50 2.07 -1.16 -2.08 116.25 117.04 1y4p h VAL 62 Ca 0.14 -0.99 -0.08 0.00 0.82 0.00 0.00 66.70 66.59 1y4p h VAL 62 Cb 0.54 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 1y4p h VAL 62 CO 0.03 0.33 0.06 0.00 0.02 0.00 0.00 177.57 178.00 1y4p h ALA 63 N 0.85 0.76 -0.78 1.67 0.00 -0.97 -1.82 119.26 118.98 1y4p h ALA 63 Ca 0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1y4p h ALA 63 Cb 0.47 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1y4p h ALA 63 CO 0.02 0.55 0.46 -0.44 0.00 0.00 0.00 179.25 179.84 1y4p h ASP 64 N 0.86 0.93 0.31 0.00 3.32 -0.54 -0.89 116.42 120.41 1y4p h ASP 64 Ca 0.17 -0.05 -0.12 0.00 0.02 0.00 0.00 57.03 57.05 1y4p h ASP 64 Cb 0.47 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1y4p h ASP 64 CO 0.02 0.72 -0.48 0.00 -1.72 0.00 0.00 179.24 177.78 1y4p h ALA 65 N 1.44 1.05 -0.29 3.45 0.00 -0.90 -1.05 119.26 122.96 1y4p h ALA 65 Ca 0.28 -0.45 -0.16 0.00 0.00 0.00 0.00 54.91 54.58 1y4p h ALA 65 Cb -0.04 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1y4p h ALA 65 CO -0.05 0.63 -0.43 -0.07 0.00 0.00 0.00 179.25 179.33 1y4p h LEU 66 N 0.16 0.87 -0.53 0.00 3.38 -0.80 -0.95 115.31 117.44 1y4p h LEU 66 Ca 0.01 -0.51 0.05 0.00 0.09 0.00 0.00 57.88 57.51 1y4p h LEU 66 Cb 0.90 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.36 1y4p h LEU 66 CO 0.07 1.22 0.27 0.74 0.09 0.00 0.00 178.44 180.83 1y4p h THR 67 N 0.56 0.94 -0.79 0.22 2.02 -0.99 -1.10 112.91 113.77 1y4p h THR 67 Ca 0.03 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 1y4p h THR 67 Cb 1.03 0.39 -0.04 0.00 -1.74 0.00 0.00 68.15 67.79 1y4p h THR 67 CO 0.10 0.09 0.40 -1.13 0.37 0.00 0.00 175.52 175.36 1y4p h ASN 68 N 0.51 1.00 -0.21 4.18 -1.24 -1.03 -1.00 115.58 117.79 1y4p h ASN 68 Ca 0.24 -0.10 -0.08 0.00 0.71 0.00 0.00 56.30 57.07 1y4p h ASN 68 Cb 0.15 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 38.93 1y4p h ASN 68 CO -0.17 0.83 -0.11 0.00 -1.29 0.00 0.00 177.43 176.68 1y4p h ALA 69 N 1.33 1.17 -0.37 1.57 0.00 -0.65 -2.14 119.26 120.18 1y4p h ALA 69 Ca 0.28 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1y4p h ALA 69 Cb 0.07 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1y4p h ALA 69 CO -0.04 0.53 -0.31 0.28 0.00 0.00 0.00 179.25 179.71 1y4p h VAL 70 N 0.54 1.28 0.00 0.00 2.07 -0.86 -2.05 116.25 117.23 1y4p h VAL 70 Ca 0.10 -1.46 0.00 0.00 0.82 0.00 0.00 66.70 66.16 1y4p h VAL 70 Cb 0.52 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1y4p h VAL 70 CO 0.03 0.48 0.00 0.00 0.02 0.00 0.00 177.57 178.10 1y4p h ALA 71 N 0.97 1.00 -0.86 1.67 0.00 -0.77 -3.16 119.26 118.10 1y4p h ALA 71 Ca 0.08 0.00 -0.44 0.00 0.00 0.00 0.00 54.91 54.54 1y4p h ALA 71 Cb 0.85 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 18.23 1y4p h ALA 71 CO 0.07 0.00 -0.94 0.72 0.00 0.00 0.00 179.25 179.10 1y4p n HIS 72 N -3.00 2.22 0.31 0.00 8.25 -0.84 -4.90 115.22 117.26 1y4p n HIS 72 Ca 0.00 -2.47 0.18 0.00 -0.26 0.00 0.00 57.72 55.17 1y4p n HIS 72 Cb 0.26 -0.26 1.01 0.00 1.12 0.00 0.00 29.99 32.11 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 3.34 0.32 -0.29 1.59 3.04 -1.35 0.26 116.25 123.17 1y4p h VAL 73 Ca 0.14 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.76 1y4p h VAL 73 Cb 1.28 1.05 0.00 0.00 -2.01 0.00 0.00 31.29 31.62 1y4p h VAL 73 CO 0.58 0.01 0.00 0.47 -1.01 0.00 0.00 177.57 177.62 1y4p n ASP 74 N -3.51 2.13 -2.01 3.17 8.00 -1.26 -4.27 116.55 118.79 1y4p n ASP 74 Ca -0.03 -1.85 -0.01 0.00 0.71 0.00 0.00 54.79 53.61 1y4p n ASP 74 Cb 0.10 -0.19 0.03 0.00 -0.02 0.00 0.00 41.12 41.05 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 0.63 -0.00 -0.26 -2.24 2.03 0.86 -5.01 116.55 112.56 1y4p n ASP 75 Ca 0.16 -2.06 0.03 0.00 0.52 0.00 0.00 54.79 53.44 1y4p n ASP 75 Cb 0.38 0.06 0.16 0.00 -0.72 0.00 0.00 41.12 41.00 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 1.15 0.62 -0.60 -0.67 2.86 -1.57 -0.88 114.93 115.83 1y4p h MET 76 Ca -0.35 -0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.30 1y4p h MET 76 Cb 1.46 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 32.95 1y4p h MET 76 CO -0.05 0.41 0.40 -1.35 1.06 0.00 0.00 176.91 177.37 1y4p h PRO 77 N 0.64 0.62 0.19 -0.22 0.11 -1.95 0.40 132.00 131.80 1y4p h PRO 77 Ca 0.38 -0.04 -0.33 0.00 0.11 0.00 0.00 66.00 66.13 1y4p h PRO 77 Cb 0.43 -0.14 0.02 0.00 0.11 0.00 0.00 31.00 31.42 1y4p h PRO 77 CO -0.29 0.41 -1.57 -0.91 -0.21 0.00 0.00 178.00 175.43 1y4p h ASN 78 N 0.64 0.64 -0.01 -2.05 2.35 -1.80 -2.73 115.58 112.62 1y4p h ASN 78 Ca 0.25 -0.92 0.00 0.00 -0.55 0.00 0.00 56.30 55.08 1y4p h ASN 78 Cb 0.18 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.34 1y4p h ASN 78 CO -0.07 1.72 0.01 0.00 -1.65 0.00 0.00 177.43 177.44 1y4p h ALA 79 N 0.09 1.96 -0.49 -0.83 0.00 -0.83 -2.84 119.26 116.33 1y4p h ALA 79 Ca -0.30 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1y4p h ALA 79 Cb 2.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.83 1y4p h ALA 79 CO 0.19 -0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.70 1y4p n LEU 80 N -4.46 3.31 -0.25 0.00 4.77 0.10 -4.73 117.00 115.75 1y4p n LEU 80 Ca -0.03 -1.96 0.05 0.00 -0.03 0.00 0.00 56.01 54.04 1y4p n LEU 80 Cb 0.10 -0.33 0.16 0.00 -2.33 0.00 0.00 43.42 41.03 1y4p n LEU 80 CO 0.33 0.82 0.85 -1.28 -1.33 0.00 0.00 177.39 176.79 1y4p h SER 81 N 2.97 -0.24 -0.89 -1.43 0.87 -1.22 -0.95 113.55 112.65 1y4p h SER 81 Ca 0.00 0.18 -0.00 0.00 -1.23 0.00 0.00 61.79 60.74 1y4p h SER 81 Cb 0.83 0.30 -0.04 0.00 -0.44 0.00 0.00 62.40 63.05 1y4p h SER 81 CO 0.00 -0.14 0.56 0.00 -0.53 0.00 0.00 176.83 176.72 1y4p h ALA 82 N 1.67 1.14 -0.12 6.23 0.00 -1.85 -1.21 119.26 125.12 1y4p h ALA 82 Ca 0.41 -0.09 -0.18 0.00 0.00 0.00 0.00 54.91 55.05 1y4p h ALA 82 Cb 0.71 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1y4p h ALA 82 CO -0.61 0.58 -0.68 -0.07 0.00 0.00 0.00 179.25 178.47 1y4p h LEU 83 N 1.22 0.59 -0.42 0.00 3.38 -1.58 -2.04 115.31 116.47 1y4p h LEU 83 Ca 0.32 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1y4p h LEU 83 Cb -0.08 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1y4p h LEU 83 CO -0.06 1.10 0.27 -1.28 0.09 0.00 0.00 178.44 178.56 1y4p h SER 84 N 0.36 0.49 -0.60 -0.43 0.87 -0.81 -0.52 113.55 112.91 1y4p h SER 84 Ca -0.02 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.50 1y4p h SER 84 Cb 1.25 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 63.06 1y4p h SER 84 CO 0.12 0.37 0.33 0.44 -0.53 0.00 0.00 176.83 177.56 1y4p h ASP 85 N 0.57 0.75 -0.04 6.23 3.32 -1.08 -1.73 116.42 124.44 1y4p h ASP 85 Ca 0.15 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1y4p h ASP 85 Cb -0.05 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.31 1y4p h ASP 85 CO -0.03 0.62 0.01 0.25 -1.72 0.00 0.00 179.24 178.37 1y4p h LEU 86 N 0.81 0.00 -0.85 1.55 6.46 -1.12 -0.63 115.31 121.53 1y4p h LEU 86 Ca 0.21 0.01 -0.10 0.00 -0.12 0.00 0.00 57.88 57.88 1y4p h LEU 86 Cb 0.04 0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 39.96 1y4p h LEU 86 CO -0.03 0.01 -0.17 0.45 -0.62 0.00 0.00 178.44 178.07 1y4p h HIS 87 N 0.02 0.74 -0.07 1.25 3.86 -0.97 -1.64 115.15 118.35 1y4p h HIS 87 Ca 0.02 -0.15 -0.09 0.00 -1.16 0.00 0.00 60.37 58.99 1y4p h HIS 87 Cb 0.01 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 28.30 1y4p h HIS 87 CO -0.09 0.80 -0.30 0.00 0.86 0.00 0.00 177.93 179.20 1y4p h ALA 88 N 1.21 0.13 0.01 2.45 0.00 -1.00 0.56 119.26 122.63 1y4p h ALA 88 Ca 0.09 -0.43 -0.33 0.00 0.00 0.00 0.00 54.91 54.25 1y4p h ALA 88 Cb 0.63 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 1y4p h ALA 88 CO 0.04 0.17 -1.97 0.72 0.00 0.00 0.00 179.25 178.21 1y4p n HIS 89 N -4.45 0.68 -0.05 0.00 8.25 -0.27 -4.38 115.22 115.00 1y4p n HIS 89 Ca -0.08 0.23 -0.09 0.00 -0.26 0.00 0.00 57.72 57.52 1y4p n HIS 89 Cb 0.49 -1.12 -0.03 0.00 1.12 0.00 0.00 29.99 30.45 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 -3.00 0.37 -0.03 -0.41 4.81 -0.68 -4.81 118.16 114.40 1y4p n LYS 90 Ca -0.24 0.15 -0.17 0.00 -0.87 0.00 0.00 58.31 57.18 1y4p n LYS 90 Cb 1.08 -1.14 -0.07 0.00 0.02 0.00 0.00 35.03 34.92 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 -0.68 0.85 -1.65 3.14 3.38 -1.46 -3.48 115.31 115.42 1y4p h LEU 91 Ca -0.09 -0.63 -0.46 0.00 0.09 0.00 0.00 57.88 56.80 1y4p h LEU 91 Cb 0.81 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 1y4p h LEU 91 CO -0.05 1.34 -0.83 0.54 0.09 0.00 0.00 178.44 179.52 1y4p n ARG 92 N -4.04 -4.49 -2.52 1.13 1.74 0.20 -4.91 116.66 103.77 1y4p n ARG 92 Ca -0.08 0.54 -0.42 0.00 -0.77 0.00 0.00 57.85 57.13 1y4p n ARG 92 Cb 0.69 -5.05 -0.03 0.00 -1.02 0.00 0.00 32.46 27.06 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 -3.67 4.31 0.26 1.55 1.01 -1.26 -4.99 120.40 117.62 1y4p s VAL 93 Ca 0.15 1.67 -0.30 0.00 0.00 0.00 0.00 61.98 63.50 1y4p s VAL 93 Cb -0.08 -4.07 -0.10 0.00 0.00 0.00 0.00 36.38 32.13 1y4p s VAL 93 CO 0.84 0.13 1.46 -0.62 0.00 0.00 0.00 175.10 176.91 1y4p s ASP 94 N 1.03 6.61 0.56 3.32 -1.08 -1.26 -4.88 116.67 120.96 1y4p s ASP 94 Ca 0.56 2.72 0.28 0.00 -0.52 0.00 0.00 52.55 55.59 1y4p s ASP 94 Cb -0.27 -2.63 1.48 0.00 -1.46 0.00 0.00 42.92 40.05 1y4p s ASP 94 CO 0.29 -0.73 1.97 -0.65 0.52 0.00 0.00 175.17 176.57 1y4p h PRO 95 N 4.91 0.00 0.00 4.34 0.11 -2.00 -1.34 132.00 138.02 1y4p h PRO 95 Ca -0.46 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1y4p h PRO 95 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1y4p h PRO 95 CO 0.77 0.00 -0.04 -0.39 -0.21 0.00 0.00 178.00 178.14 1y4p h VAL 96 N 0.00 0.76 0.00 3.15 -1.51 -2.02 -1.53 116.25 115.09 1y4p h VAL 96 Ca 0.23 -0.14 -0.05 0.00 -1.23 0.00 0.00 66.70 65.51 1y4p h VAL 96 Cb 1.04 1.08 -0.01 0.00 -2.13 0.00 0.00 31.29 31.28 1y4p h VAL 96 CO -0.00 0.04 -0.22 0.78 -1.23 0.00 0.00 177.57 176.93 1y4p h ASN 97 N 0.00 0.00 -0.29 4.19 4.21 -1.60 -2.03 115.58 120.06 1y4p h ASN 97 Ca -0.00 0.00 -0.11 0.00 1.21 0.00 0.00 56.30 57.40 1y4p h ASN 97 Cb 0.08 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.26 1y4p h ASN 97 CO 0.00 0.22 -0.19 -0.26 -1.29 0.00 0.00 177.43 175.92 1y4p h PHE 98 N 0.00 0.84 -0.20 1.19 -1.00 -1.45 -2.06 116.94 114.26 1y4p h PHE 98 Ca -0.00 -0.18 -0.05 0.00 2.81 0.00 0.00 57.97 60.55 1y4p h PHE 98 Cb 0.55 -0.21 -0.01 0.00 3.61 0.00 0.00 35.95 39.89 1y4p h PHE 98 CO 0.00 0.88 -0.09 0.87 -1.61 0.00 0.00 178.31 178.36 1y4p h LYS 99 N 0.66 0.31 -0.03 1.51 1.57 -1.45 -1.55 116.57 117.60 1y4p h LYS 99 Ca 0.10 -0.07 -0.24 0.00 -1.87 0.00 0.00 60.65 58.58 1y4p h LYS 99 Cb 0.68 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.95 1y4p h LYS 99 CO 0.05 0.41 -0.94 -0.07 -0.57 0.00 0.00 179.45 178.33 1y4p h LEU 100 N 0.30 0.73 -0.58 2.94 3.38 -1.30 -2.05 115.31 118.73 1y4p h LEU 100 Ca 0.06 -0.56 -0.11 0.00 0.09 0.00 0.00 57.88 57.37 1y4p h LEU 100 Cb 0.35 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1y4p h LEU 100 CO 0.02 1.35 -0.05 0.25 0.09 0.00 0.00 178.44 180.10 1y4p h LEU 101 N 0.34 1.06 -0.20 1.67 5.85 -1.24 -2.50 115.31 120.28 1y4p h LEU 101 Ca -0.09 -0.33 -0.01 0.00 0.84 0.00 0.00 57.88 58.29 1y4p h LEU 101 Cb 1.57 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 42.31 1y4p h LEU 101 CO 0.18 1.13 0.09 0.28 -0.34 0.00 0.00 178.44 179.78 1y4p h SER 102 N 0.96 0.27 -0.50 1.25 0.02 -1.19 -0.15 113.55 114.21 1y4p h SER 102 Ca 0.16 -0.14 0.08 0.00 -0.84 0.00 0.00 61.79 61.05 1y4p h SER 102 Cb 0.62 -0.07 -0.07 0.00 0.14 0.00 0.00 62.40 63.02 1y4p h SER 102 CO 0.04 0.34 0.10 -0.74 -1.14 0.00 0.00 176.83 175.43 1y4p h HIS 103 N 0.19 0.17 -0.15 3.45 -0.00 -1.34 -1.03 115.15 116.43 1y4p h HIS 103 Ca 0.07 0.03 -0.08 0.00 -0.00 0.00 0.00 60.37 60.39 1y4p h HIS 103 Cb 0.15 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.55 1y4p h HIS 103 CO -0.02 -0.00 -0.26 0.00 -0.00 0.00 0.00 177.93 177.65 1y4p h LEU 105 N 0.25 0.41 -0.50 0.00 3.38 -0.74 -0.40 115.31 117.70 1y4p h LEU 105 Ca 0.04 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 57.80 1y4p h LEU 105 Cb 0.59 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1y4p h LEU 105 CO 0.04 0.53 0.30 -0.07 0.09 0.00 0.00 178.44 179.33 1y4p h LEU 106 N 0.27 0.48 -0.85 1.67 3.38 -0.62 0.08 115.31 119.72 1y4p h LEU 106 Ca 0.08 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.10 1y4p h LEU 106 Cb 0.28 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 1y4p h LEU 106 CO 0.00 0.34 0.54 0.58 0.09 0.00 0.00 178.44 180.00 1y4p h VAL 107 N 0.60 1.12 -0.69 1.22 2.07 -0.66 -0.67 116.25 119.23 1y4p h VAL 107 Ca 0.20 -0.36 -0.06 0.00 0.82 0.00 0.00 66.70 67.30 1y4p h VAL 107 Cb 0.01 -0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 29.74 1y4p h VAL 107 CO -0.09 0.19 0.18 0.74 0.02 0.00 0.00 177.57 178.62 1y4p h THR 108 N 1.05 1.26 -0.38 2.57 2.02 0.12 -1.97 112.91 117.57 1y4p h THR 108 Ca 0.35 -0.94 -0.11 0.00 0.77 0.00 0.00 66.41 66.48 1y4p h THR 108 Cb 0.04 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 1y4p h THR 108 CO -0.13 0.36 -0.18 -0.07 0.37 0.00 0.00 175.52 175.87 1y4p h LEU 109 N 1.03 0.83 -1.07 2.58 3.38 -0.69 -2.81 115.31 118.55 1y4p h LEU 109 Ca 0.22 -0.40 0.04 0.00 0.09 0.00 0.00 57.88 57.83 1y4p h LEU 109 Cb 0.35 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 1y4p h LEU 109 CO -0.00 1.05 0.63 0.00 0.09 0.00 0.00 178.44 180.20 1y4p h ALA 110 N 0.81 1.40 0.00 1.53 0.00 -0.90 -0.13 119.26 121.96 1y4p h ALA 110 Ca 0.09 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1y4p h ALA 110 Cb 0.73 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1y4p h ALA 110 CO 0.06 0.49 -0.28 0.00 0.00 0.00 0.00 179.25 179.52 1y4p h ALA 111 N 1.45 1.03 0.00 0.00 0.00 -1.12 -3.29 119.26 117.33 1y4p h ALA 111 Ca 0.39 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1y4p h ALA 111 Cb 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1y4p h ALA 111 CO -0.13 0.35 -0.68 0.72 0.00 0.00 0.00 179.25 179.51 1y4p n HIS 112 N -3.46 0.00 -3.08 0.00 8.25 -1.01 -4.77 115.22 111.15 1y4p n HIS 112 Ca -0.00 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.23 1y4p n HIS 112 Cb 0.45 -0.04 -0.04 0.00 1.12 0.00 0.00 29.99 31.48 1y4p n HIS 112 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1y4p n LEU 113 N -1.36 2.58 -0.19 2.41 4.32 -0.09 -4.96 117.00 119.70 1y4p n LEU 113 Ca 0.01 -5.33 -0.00 0.00 -0.02 0.00 0.00 56.01 50.67 1y4p n LEU 113 Cb 0.19 0.09 0.10 0.00 -1.62 0.00 0.00 43.42 42.18 1y4p n LEU 113 CO 0.22 2.31 0.96 -0.65 -1.22 0.00 0.00 177.39 179.01 1y4p h PRO 114 N 3.05 0.33 -0.02 3.23 0.10 -1.81 -1.03 132.00 135.85 1y4p h PRO 114 Ca 0.12 -0.02 -0.15 0.00 0.10 0.00 0.00 66.00 66.05 1y4p h PRO 114 Cb 0.74 -0.07 -0.02 0.00 0.10 0.00 0.00 31.00 31.75 1y4p h PRO 114 CO 0.65 0.22 -0.67 0.00 0.10 0.00 0.00 178.00 178.30 1y4p h ALA 115 N 1.42 0.86 0.00 -0.75 0.00 -1.94 -3.18 119.26 115.67 1y4p h ALA 115 Ca 0.30 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1y4p h ALA 115 Cb 0.39 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1y4p h ALA 115 CO -0.33 0.81 -0.71 1.05 0.00 0.00 0.00 179.25 180.07 1y4p h GLU 116 N 0.05 0.00 -3.03 0.00 9.09 -1.85 -3.40 114.58 115.44 1y4p h GLU 116 Ca -0.01 0.00 -0.72 0.00 0.05 0.00 0.00 59.36 58.68 1y4p h GLU 116 Cb 1.19 0.00 -0.08 0.00 -1.65 0.00 0.00 28.75 28.20 1y4p h GLU 116 CO 0.09 0.00 2.80 0.34 0.05 0.00 0.00 179.01 182.29 1y4p n PHE 117 N -2.73 2.71 -2.13 2.06 7.35 -0.44 -4.76 117.46 119.51 1y4p n PHE 117 Ca 0.01 -2.90 -0.27 0.00 -0.76 0.00 0.00 57.45 53.53 1y4p n PHE 117 Cb 0.53 -2.10 0.06 0.00 0.35 0.00 0.00 39.48 38.32 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 0.46 2.73 0.19 -2.13 -4.23 -1.26 -4.80 115.64 106.59 1y4p s THR 118 Ca 0.55 -0.03 -0.14 0.00 -1.18 0.00 0.00 61.69 60.89 1y4p s THR 118 Cb 0.16 -3.18 0.12 0.00 1.34 0.00 0.00 72.50 70.94 1y4p s THR 118 CO -0.07 -0.21 1.69 -0.65 -0.54 0.00 0.00 174.62 174.85 1y4p h PRO 119 N -0.61 0.15 -0.84 3.99 0.11 -1.99 -0.16 132.00 132.65 1y4p h PRO 119 Ca -0.45 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 1y4p h PRO 119 Cb 1.30 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.33 1y4p h PRO 119 CO 0.62 0.10 0.46 0.00 -0.21 0.00 0.00 178.00 178.97 1y4p h ALA 120 N 1.42 1.23 -0.19 -0.75 0.00 -1.96 -1.02 119.26 117.98 1y4p h ALA 120 Ca 0.25 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 1y4p h ALA 120 Cb 0.36 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1y4p h ALA 120 CO -0.38 0.63 -0.46 0.28 0.00 0.00 0.00 179.25 179.32 1y4p h VAL 121 N 1.18 1.32 -0.66 0.00 2.07 -1.72 -1.66 116.25 116.78 1y4p h VAL 121 Ca 0.30 -1.69 0.09 0.00 0.82 0.00 0.00 66.70 66.22 1y4p h VAL 121 Cb 0.02 1.89 -0.07 0.00 -1.52 0.00 0.00 31.29 31.62 1y4p h VAL 121 CO -0.05 0.53 0.29 -0.74 0.02 0.00 0.00 177.57 177.62 1y4p h HIS 122 N 0.33 0.52 -0.21 1.57 6.17 -0.82 0.61 115.15 123.32 1y4p h HIS 122 Ca -0.00 0.03 -0.02 0.00 0.71 0.00 0.00 60.37 61.09 1y4p h HIS 122 Cb 1.07 -0.13 -0.01 0.00 2.52 0.00 0.00 27.41 30.85 1y4p h HIS 122 CO 0.09 0.17 0.06 0.00 0.71 0.00 0.00 177.93 178.96 1y4p h ALA 123 N 1.42 0.28 -0.50 5.26 0.00 -0.99 -1.19 119.26 123.54 1y4p h ALA 123 Ca 0.33 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1y4p h ALA 123 Cb 0.37 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1y4p h ALA 123 CO -0.28 -0.08 0.24 0.77 0.00 0.00 0.00 179.25 179.89 1y4p h SER 124 N 0.16 0.65 -1.00 0.00 0.02 -0.75 -2.38 113.55 110.26 1y4p h SER 124 Ca 0.07 -0.13 0.02 0.00 -0.84 0.00 0.00 61.79 60.91 1y4p h SER 124 Cb 0.26 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 62.58 1y4p h SER 124 CO -0.00 0.60 0.66 -0.07 -1.14 0.00 0.00 176.83 176.88 1y4p h LEU 125 N 0.66 1.12 -0.72 5.07 3.38 -0.78 -0.05 115.31 123.99 1y4p h LEU 125 Ca 0.17 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.02 1y4p h LEU 125 Cb 0.13 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1y4p h LEU 125 CO -0.02 0.79 -0.13 -0.78 0.09 0.00 0.00 178.44 178.39 1y4p h ASP 126 N 1.31 0.85 -0.39 -0.43 3.58 -1.05 -0.23 116.42 120.06 1y4p h ASP 126 Ca 0.38 -0.27 -0.11 0.00 0.42 0.00 0.00 57.03 57.45 1y4p h ASP 126 Cb -0.08 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 40.73 1y4p h ASP 126 CO -0.10 0.99 -0.19 0.11 -2.88 0.00 0.00 179.24 177.16 1y4p h LYS 127 N 0.76 0.82 -0.54 0.28 1.57 -0.89 -1.78 116.57 116.79 1y4p h LYS 127 Ca 0.12 -0.36 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1y4p h LYS 127 Cb 0.64 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.90 1y4p h LYS 127 CO 0.04 0.99 0.35 0.35 -0.57 0.00 0.00 179.45 180.61 1y4p h PHE 128 N 0.62 0.68 0.00 -1.35 3.57 -0.84 -1.05 116.94 118.57 1y4p h PHE 128 Ca 0.09 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.51 1y4p h PHE 128 Cb 0.75 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 1y4p h PHE 128 CO 0.06 0.44 -0.42 -0.07 -2.23 0.00 0.00 178.31 176.08 1y4p h LEU 129 N 0.72 0.00 -0.67 0.59 3.38 -0.92 -1.01 115.31 117.40 1y4p h LEU 129 Ca 0.20 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.02 1y4p h LEU 129 Cb -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1y4p h LEU 129 CO -0.04 0.42 -0.58 0.00 0.09 0.00 0.00 178.44 178.34 1y4p h ALA 130 N 1.58 0.86 -0.16 1.53 0.00 -1.00 -0.92 119.26 121.14 1y4p h ALA 130 Ca -0.00 -0.52 -0.19 0.00 0.00 0.00 0.00 54.91 54.19 1y4p h ALA 130 Cb 0.83 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.55 1y4p h ALA 130 CO 0.05 0.71 -0.64 0.77 0.00 0.00 0.00 179.25 180.14 1y4p h SER 131 N 0.21 0.85 -0.58 0.00 0.02 -0.60 -1.63 113.55 111.81 1y4p h SER 131 Ca -0.00 -0.61 0.00 0.00 -0.84 0.00 0.00 61.79 60.34 1y4p h SER 131 Cb 1.07 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 63.33 1y4p h SER 131 CO 0.09 1.32 0.38 0.58 -1.14 0.00 0.00 176.83 178.06 1y4p h VAL 132 N 0.43 1.15 -0.57 2.27 2.07 -1.10 -1.92 116.25 118.58 1y4p h VAL 132 Ca -0.03 -0.28 -0.06 0.00 0.82 0.00 0.00 66.70 67.14 1y4p h VAL 132 Cb 1.27 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1y4p h VAL 132 CO 0.13 0.15 0.12 0.28 0.02 0.00 0.00 177.57 178.27 1y4p h SER 133 N 0.79 0.83 -0.65 0.57 0.02 -1.12 -1.66 113.55 112.33 1y4p h SER 133 Ca 0.21 -0.16 -0.07 0.00 -0.84 0.00 0.00 61.79 60.93 1y4p h SER 133 Cb -0.08 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.21 1y4p h SER 133 CO -0.05 0.83 0.12 0.74 -1.14 0.00 0.00 176.83 177.33 1y4p h THR 134 N 0.85 1.26 -0.19 -2.27 2.02 -1.00 -2.73 112.91 110.85 1y4p h THR 134 Ca 0.18 -1.01 -0.02 0.00 0.77 0.00 0.00 66.41 66.34 1y4p h THR 134 Cb 0.33 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 1y4p h THR 134 CO 0.00 0.38 0.05 0.58 0.37 0.00 0.00 175.52 176.91 1y4p h VAL 135 N 1.02 1.19 0.00 3.16 2.07 -1.00 -1.03 116.25 121.66 1y4p h VAL 135 Ca 0.21 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1y4p h VAL 135 Cb 0.41 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1y4p h VAL 135 CO 0.01 0.19 0.00 -0.07 0.02 0.00 0.00 177.57 177.72 1y4p h LEU 136 N 0.12 0.00 -0.57 2.57 3.38 -1.13 -2.43 115.31 117.25 1y4p h LEU 136 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1y4p h LEU 136 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1y4p h LEU 136 CO -0.00 0.00 -0.08 0.41 0.09 0.00 0.00 178.44 178.85 1y4p n THR 137 N -2.31 0.00 0.27 0.22 -1.04 -1.05 -4.47 114.28 105.90 1y4p n THR 137 Ca -0.01 -0.46 0.14 0.00 -2.04 0.00 0.00 64.05 61.69 1y4p n THR 137 Cb 0.09 1.04 0.76 0.00 -1.82 0.00 0.00 70.33 70.40 1y4p n THR 137 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1y4p h SER 138 N 0.38 0.00 -0.41 8.00 4.64 -0.67 -3.02 113.55 122.47 1y4p h SER 138 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1y4p h SER 138 Cb 0.12 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.19 1y4p h SER 138 CO 0.00 0.10 0.03 0.29 -0.87 0.00 0.00 176.83 176.38 1y4p n LYS 139 N -3.56 3.56 0.21 4.77 5.02 -1.26 -4.71 118.16 122.19 1y4p n LYS 139 Ca -0.02 -2.99 0.04 0.00 -2.02 0.00 0.00 58.31 53.33 1y4p n LYS 139 Cb 0.23 -2.02 0.45 0.00 -0.02 0.00 0.00 35.03 33.67 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 2.53 0.00 0.00 2.13 -1.99 -1.87 -3.47 116.97 114.29 1y4p h TYR 140 Ca 0.04 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.77 1y4p h TYR 140 Cb 1.72 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.45 1y4p h TYR 140 CO 0.80 0.26 0.00 2.89 -0.00 0.00 0.00 178.16 182.11