#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yzi s LEU 2 N 0.00 4.33 0.99 7.52 1.02 -1.26 -5.00 118.68 126.28 1yzi s LEU 2 Ca 0.00 2.29 -0.16 0.00 0.02 0.00 0.00 54.13 56.28 1yzi s LEU 2 Cb 0.00 -3.55 0.20 0.00 0.02 0.00 0.00 46.19 42.86 1yzi s LEU 2 CO 0.00 -0.85 1.25 -0.94 0.02 0.00 0.00 176.35 175.83 1yzi s SER 3 N 2.53 2.87 0.17 2.29 1.04 -1.26 -4.81 113.70 116.53 1yzi s SER 3 Ca 0.71 0.45 -0.12 0.00 0.48 0.00 0.00 55.95 57.47 1yzi s SER 3 Cb -0.35 -0.63 0.08 0.00 0.10 0.00 0.00 66.02 65.22 1yzi s SER 3 CO 0.29 -2.90 1.75 -0.65 0.98 0.00 0.00 173.24 172.72 1yzi h PRO 4 N -1.75 0.87 -0.78 4.02 0.11 -2.00 -1.96 132.00 130.50 1yzi h PRO 4 Ca -0.45 -0.14 -0.02 0.00 0.11 0.00 0.00 66.00 65.50 1yzi h PRO 4 Cb 1.26 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 1yzi h PRO 4 CO 0.42 0.71 0.41 0.00 -0.21 0.00 0.00 178.00 179.33 1yzi h ALA 5 N 1.11 1.01 -0.74 -0.75 0.00 -1.99 -1.82 119.26 116.07 1yzi h ALA 5 Ca 0.20 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1yzi h ALA 5 Cb 0.14 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1yzi h ALA 5 CO -0.02 0.54 0.48 -0.44 0.00 0.00 0.00 179.25 179.80 1yzi h ASP 6 N 1.09 0.80 -0.69 0.00 3.45 -1.80 0.93 116.42 120.20 1yzi h ASP 6 Ca 0.27 -0.01 -0.06 0.00 0.43 0.00 0.00 57.03 57.66 1yzi h ASP 6 Cb 0.07 -0.18 -0.03 0.00 -0.56 0.00 0.00 39.33 38.63 1yzi h ASP 6 CO -0.04 0.56 0.18 0.11 -1.57 0.00 0.00 179.24 178.48 1yzi h LYS 7 N 0.94 1.11 -0.04 3.56 1.57 -1.03 -0.17 116.57 122.50 1yzi h LYS 7 Ca 0.29 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1yzi h LYS 7 Cb -0.02 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.13 1yzi h LYS 7 CO -0.10 0.97 0.01 1.15 -0.57 0.00 0.00 179.45 180.91 1yzi h THR 8 N 1.05 1.16 -0.35 -0.16 2.02 -0.75 -0.01 112.91 115.87 1yzi h THR 8 Ca 0.22 -0.47 0.02 0.00 0.77 0.00 0.00 66.41 66.95 1yzi h THR 8 Cb 0.35 1.40 -0.03 0.00 -1.74 0.00 0.00 68.15 68.13 1yzi h THR 8 CO -0.00 0.13 0.18 0.78 0.37 0.00 0.00 175.52 176.98 1yzi h ASN 9 N -0.12 0.28 0.21 4.18 2.35 -0.60 0.25 115.58 122.13 1yzi h ASN 9 Ca 0.01 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 1yzi h ASN 9 Cb 0.20 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.52 1yzi h ASN 9 CO -0.00 0.20 -0.12 0.58 -1.65 0.00 0.00 177.43 176.44 1yzi h VAL 10 N 0.37 0.75 -0.29 2.81 2.07 -0.95 0.28 116.25 121.29 1yzi h VAL 10 Ca 0.14 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.61 1yzi h VAL 10 Cb 0.04 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1yzi h VAL 10 CO -0.09 0.00 -0.05 0.11 0.02 0.00 0.00 177.57 177.56 1yzi h LYS 11 N -0.31 0.45 -0.45 1.57 1.57 -0.70 -0.95 116.57 117.75 1yzi h LYS 11 Ca -0.02 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 1yzi h LYS 11 Cb 0.25 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1yzi h LYS 11 CO 0.03 0.52 0.16 0.00 -0.57 0.00 0.00 179.45 179.58 1yzi h ALA 12 N 1.53 0.59 -0.51 3.86 0.00 -0.00 0.43 119.26 125.16 1yzi h ALA 12 Ca 0.09 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1yzi h ALA 12 Cb 0.36 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1yzi h ALA 12 CO 0.02 0.22 0.30 0.00 0.00 0.00 0.00 179.25 179.79 1yzi h ALA 13 N 1.01 0.65 -0.72 0.00 0.00 -0.57 -0.64 119.26 118.98 1yzi h ALA 13 Ca 0.15 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1yzi h ALA 13 Cb 0.24 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1yzi h ALA 13 CO -0.01 0.00 0.47 2.35 0.00 0.00 0.00 179.25 182.06 1yzi h TRP 14 N 0.60 0.91 -0.32 0.00 7.01 -0.88 0.29 115.95 123.55 1yzi h TRP 14 Ca 0.20 0.02 -0.06 0.00 2.11 0.00 0.00 58.89 61.17 1yzi h TRP 14 Cb 0.03 -0.31 -0.01 0.00 -2.10 0.00 0.00 29.16 26.77 1yzi h TRP 14 CO -0.07 0.58 -0.02 0.78 -2.79 0.00 0.00 178.44 176.93 1yzi h GLY 15 N 0.98 0.63 0.96 2.65 0.00 -0.59 -1.71 103.07 106.00 1yzi h GLY 15 Ca 0.26 -0.48 -0.04 0.00 0.00 0.00 0.00 47.33 47.08 1yzi h GLY 15 CO -0.06 0.44 0.15 1.70 0.00 0.00 0.00 176.54 178.78 1yzi h LYS 16 N 0.38 0.74 -0.86 4.80 1.63 -0.77 -2.37 116.57 120.12 1yzi h LYS 16 Ca 0.09 -0.16 0.05 0.00 -0.85 0.00 0.00 60.65 59.78 1yzi h LYS 16 Cb 0.47 -0.11 -0.05 0.00 -0.60 0.00 0.00 32.23 31.94 1yzi h LYS 16 CO 0.02 0.70 0.56 0.28 -3.45 0.00 0.00 179.45 177.56 1yzi h VAL 17 N 0.64 1.09 0.00 2.00 2.07 -0.85 -3.45 116.25 117.74 1yzi h VAL 17 Ca 0.15 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1yzi h VAL 17 Cb 0.27 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.03 1yzi h VAL 17 CO -0.01 0.18 0.00 0.61 0.02 0.00 0.00 177.57 178.38 1yzi n GLY 18 N -1.41 3.10 0.09 2.17 0.00 -0.65 -1.62 105.19 106.88 1yzi n GLY 18 Ca 0.12 -0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.23 1yzi n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yzi n ALA 19 N 9.71 1.40 1.70 4.61 0.00 -1.26 -2.35 120.51 134.32 1yzi n ALA 19 Ca 0.00 0.07 0.15 0.00 0.00 0.00 0.00 53.44 53.66 1yzi n ALA 19 Cb 0.00 -1.27 0.85 0.00 0.00 0.00 0.00 19.45 19.02 1yzi n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1yzi n HIS 20 N -1.97 0.00 0.10 0.00 -0.00 -0.64 -4.38 115.22 108.33 1yzi n HIS 20 Ca 0.01 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.59 1yzi n HIS 20 Cb 0.13 -0.13 -0.07 0.00 -0.00 0.00 0.00 29.99 29.92 1yzi n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1yzi h ALA 21 N 3.70 -0.69 -0.54 -1.41 0.00 -1.62 -0.42 119.26 118.29 1yzi h ALA 21 Ca 0.00 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.93 1yzi h ALA 21 Cb 0.13 0.69 -0.07 0.00 0.00 0.00 0.00 17.79 18.54 1yzi h ALA 21 CO 0.00 -0.96 0.17 0.78 0.00 0.00 0.00 179.25 179.24 1yzi h GLY 22 N -0.61 0.71 1.02 0.00 0.00 -1.83 -0.19 103.07 102.18 1yzi h GLY 22 Ca 0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 1yzi h GLY 22 CO -0.26 -0.03 0.52 -2.09 0.00 0.00 0.00 176.54 174.68 1yzi h GLU 23 N 0.33 1.19 -0.13 4.80 4.81 -1.73 0.12 114.58 123.97 1yzi h GLU 23 Ca 0.27 -0.11 -0.13 0.00 -0.13 0.00 0.00 59.36 59.26 1yzi h GLU 23 Cb 0.33 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1yzi h GLU 23 CO -0.30 0.84 -0.48 1.88 -0.73 0.00 0.00 179.01 180.23 1yzi h TYR 24 N 1.20 0.41 -0.29 0.92 0.99 -0.34 0.48 116.97 120.35 1yzi h TYR 24 Ca 0.31 -0.13 -0.06 0.00 2.00 0.00 0.00 58.73 60.86 1yzi h TYR 24 Cb -0.04 -0.08 -0.01 0.00 1.00 0.00 0.00 36.73 37.60 1yzi h TYR 24 CO 0.00 0.76 -0.04 0.78 -0.00 0.00 0.00 178.16 179.66 1yzi h GLY 25 N 1.24 0.58 1.32 3.88 0.00 -0.53 0.13 103.07 109.68 1yzi h GLY 25 Ca 0.02 -0.45 -0.06 0.00 0.00 0.00 0.00 47.33 46.84 1yzi h GLY 25 CO 0.08 0.42 0.11 0.00 0.00 0.00 0.00 176.54 177.15 1yzi h ALA 26 N 0.80 1.17 -0.71 3.60 0.00 -0.36 -0.43 119.26 123.33 1yzi h ALA 26 Ca 0.08 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1yzi h ALA 26 Cb 0.49 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1yzi h ALA 26 CO 0.02 0.56 0.20 1.49 0.00 0.00 0.00 179.25 181.53 1yzi h GLU 27 N 0.82 1.12 -0.47 0.00 4.81 -0.58 -0.75 114.58 119.54 1yzi h GLU 27 Ca 0.18 -0.25 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 1yzi h GLU 27 Cb 0.33 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1yzi h GLU 27 CO 0.00 0.97 0.18 0.00 -0.73 0.00 0.00 179.01 179.43 1yzi h ALA 28 N 1.10 0.61 -0.95 2.92 0.00 -0.16 0.03 119.26 122.81 1yzi h ALA 28 Ca 0.23 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1yzi h ALA 28 Cb 0.33 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1yzi h ALA 28 CO -0.00 0.23 0.63 -0.07 0.00 0.00 0.00 179.25 180.03 1yzi h LEU 29 N 0.62 1.06 -0.70 0.00 3.38 -0.74 -0.07 115.31 118.86 1yzi h LEU 29 Ca 0.15 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 58.00 1yzi h LEU 29 Cb 0.21 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1yzi h LEU 29 CO -0.01 0.74 -0.13 -0.08 0.09 0.00 0.00 178.44 179.05 1yzi h GLU 30 N 1.24 0.86 -0.55 1.13 4.81 -0.44 -0.66 114.58 120.98 1yzi h GLU 30 Ca 0.37 -0.31 -0.05 0.00 -0.13 0.00 0.00 59.36 59.23 1yzi h GLU 30 Cb -0.06 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 1yzi h GLU 30 CO -0.10 0.94 0.13 0.00 -0.73 0.00 0.00 179.01 179.25 1yzi h ARG 31 N 0.77 0.88 0.25 1.92 3.08 -0.42 -1.82 114.38 119.03 1yzi h ARG 31 Ca 0.12 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 1yzi h ARG 31 Cb 0.65 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1yzi h ARG 31 CO 0.05 0.83 -0.12 1.98 -1.07 0.00 0.00 179.97 181.64 1yzi h MET 32 N 0.78 -0.33 -0.72 0.04 4.05 -0.67 0.63 114.93 118.71 1yzi h MET 32 Ca 0.17 0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.63 1yzi h MET 32 Cb 0.35 0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 31.19 1yzi h MET 32 CO 0.00 -0.13 0.47 0.74 0.23 0.00 0.00 176.91 178.23 1yzi h PHE 33 N -0.46 0.89 0.06 1.39 0.04 -1.09 0.26 116.94 118.02 1yzi h PHE 33 Ca -0.03 0.02 -0.21 0.00 2.80 0.00 0.00 57.97 60.55 1yzi h PHE 33 Cb 0.35 -0.30 0.02 0.00 2.20 0.00 0.00 35.95 38.22 1yzi h PHE 33 CO -0.03 0.55 -0.85 1.25 -0.60 0.00 0.00 178.31 178.63 1yzi h LEU 34 N 0.95 0.64 -0.12 1.54 5.85 -1.27 -3.17 115.31 119.73 1yzi h LEU 34 Ca 0.27 -0.82 -0.16 0.00 0.84 0.00 0.00 57.88 58.01 1yzi h LEU 34 Cb -0.07 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.73 1yzi h LEU 34 CO -0.06 1.39 -0.76 0.28 -0.34 0.00 0.00 178.44 178.94 1yzi h SER 35 N -0.02 0.00 -2.40 1.25 0.02 -0.75 -3.39 113.55 108.26 1yzi h SER 35 Ca -0.12 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.24 1yzi h SER 35 Cb 1.57 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 63.72 1yzi h SER 35 CO 0.16 0.76 -0.89 0.49 -1.14 0.00 0.00 176.83 176.22 1yzi n PHE 36 N -3.35 0.50 -0.51 3.45 3.01 0.90 -4.99 117.46 116.46 1yzi n PHE 36 Ca 0.01 -3.65 0.42 0.00 1.01 0.00 0.00 57.45 55.23 1yzi n PHE 36 Cb 0.82 -0.14 0.71 0.00 -0.01 0.00 0.00 39.48 40.85 1yzi n PHE 36 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1yzi h PRO 37 N 5.04 0.04 -1.00 -1.08 0.11 -1.73 -1.00 132.00 132.38 1yzi h PRO 37 Ca 0.19 -0.00 0.19 0.00 0.11 0.00 0.00 66.00 66.49 1yzi h PRO 37 Cb 0.85 -0.01 -0.11 0.00 0.11 0.00 0.00 31.00 31.84 1yzi h PRO 37 CO 0.51 0.03 0.61 0.00 -0.21 0.00 0.00 178.00 178.94 1yzi h THR 38 N 0.05 0.70 0.00 -1.15 1.03 -1.91 -0.66 112.91 110.97 1yzi h THR 38 Ca 0.85 -0.26 -0.00 0.00 -0.01 0.00 0.00 66.41 66.99 1yzi h THR 38 Cb 2.91 -0.12 -0.00 0.00 -1.07 0.00 0.00 68.15 69.87 1yzi h THR 38 CO -0.30 0.14 -0.01 0.71 -0.01 0.00 0.00 175.52 176.05 1yzi h THR 39 N 0.76 0.80 -0.56 0.00 1.35 -1.50 -2.60 112.91 111.16 1yzi h THR 39 Ca 0.58 -0.04 0.03 0.00 -0.55 0.00 0.00 66.41 66.43 1yzi h THR 39 Cb 0.91 1.02 -0.03 0.00 -1.73 0.00 0.00 68.15 68.32 1yzi h THR 39 CO -0.38 0.01 0.37 0.11 -0.25 0.00 0.00 175.52 175.38 1yzi h LYS 40 N 0.00 0.63 0.00 4.72 1.57 -1.30 -0.76 116.57 121.42 1yzi h LYS 40 Ca -0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1yzi h LYS 40 Cb 0.02 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.19 1yzi h LYS 40 CO 0.00 0.42 0.01 0.25 -0.57 0.00 0.00 179.45 179.56 1yzi n THR 41 N -4.47 1.33 0.92 -0.16 -2.24 -0.98 -0.81 114.28 107.88 1yzi n THR 41 Ca 0.07 0.66 0.13 0.00 -2.27 0.00 0.00 64.05 62.64 1yzi n THR 41 Cb 0.14 -1.66 0.43 0.00 -2.10 0.00 0.00 70.33 67.14 1yzi n THR 41 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1yzi n TYR 42 N -2.00 0.15 -3.17 4.78 4.01 -0.29 -4.17 117.16 116.46 1yzi n TYR 42 Ca -0.01 0.04 -0.24 0.00 -0.16 0.00 0.00 57.90 57.54 1yzi n TYR 42 Cb 0.03 -0.48 -0.05 0.00 -0.31 0.00 0.00 39.34 38.53 1yzi n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1yzi n PHE 43 N -1.64 1.78 0.00 -0.72 3.01 0.01 -4.98 117.46 114.94 1yzi n PHE 43 Ca 0.06 -3.88 -0.10 0.00 1.01 0.00 0.00 57.45 54.54 1yzi n PHE 43 Cb 0.36 -0.45 -0.03 0.00 -0.01 0.00 0.00 39.48 39.34 1yzi n PHE 43 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1yzi h PRO 44 N 3.46 -0.33 -0.92 -1.08 0.11 -1.73 -2.65 132.00 128.87 1yzi h PRO 44 Ca 0.12 0.02 -0.09 0.00 0.11 0.00 0.00 66.00 66.17 1yzi h PRO 44 Cb 0.76 0.07 -0.05 0.00 0.11 0.00 0.00 31.00 31.90 1yzi h PRO 44 CO 0.64 -0.22 0.11 0.72 -0.21 0.00 0.00 178.00 179.04 1yzi n HIS 45 N -5.38 0.93 -3.80 0.65 8.25 -1.26 -4.86 115.22 109.74 1yzi n HIS 45 Ca -0.03 -0.60 -0.34 0.00 -0.26 0.00 0.00 57.72 56.49 1yzi n HIS 45 Cb 0.30 -0.37 -0.05 0.00 1.12 0.00 0.00 29.99 30.99 1yzi n HIS 45 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1yzi s PHE 46 N -1.44 3.57 -0.61 4.41 2.99 -1.00 -5.02 117.98 120.89 1yzi s PHE 46 Ca 0.20 0.51 -0.27 0.00 0.00 0.00 0.00 56.93 57.37 1yzi s PHE 46 Cb 0.16 -1.94 0.03 0.00 0.00 0.00 0.00 43.02 41.27 1yzi s PHE 46 CO 0.05 0.63 1.17 0.34 -0.00 0.00 0.00 175.22 177.41 1yzi s ASP 47 N -1.72 6.37 -0.18 1.36 3.68 -1.26 -4.87 116.67 120.05 1yzi s ASP 47 Ca 0.27 -0.08 0.13 0.00 2.13 0.00 0.00 52.55 54.99 1yzi s ASP 47 Cb -0.13 -2.53 0.69 0.00 -1.45 0.00 0.00 42.92 39.50 1yzi s ASP 47 CO 0.16 -1.51 1.56 0.18 0.13 0.00 0.00 175.17 175.69 1yzi n LEU 48 N 8.46 4.91 -4.82 -1.34 4.32 -1.26 -4.29 117.00 122.98 1yzi n LEU 48 Ca 0.06 -2.49 -0.32 0.00 -0.02 0.00 0.00 56.01 53.24 1yzi n LEU 48 Cb 0.49 -0.64 0.00 0.00 -1.62 0.00 0.00 43.42 41.65 1yzi n LEU 48 CO 0.70 0.60 0.71 -0.94 -1.22 0.00 0.00 177.39 177.24 1yzi s SER 49 N -0.70 6.02 0.02 -1.43 1.04 -1.26 -4.94 113.70 112.46 1yzi s SER 49 Ca 0.46 1.71 -0.04 0.00 0.48 0.00 0.00 55.95 58.57 1yzi s SER 49 Cb 0.34 -2.52 -0.01 0.00 0.10 0.00 0.00 66.02 63.94 1yzi s SER 49 CO 0.15 -1.00 0.65 1.57 0.98 0.00 0.00 173.24 175.59 1yzi n HIS 50 N -2.01 -0.05 0.75 5.02 -0.00 -1.26 -0.09 115.22 117.58 1yzi n HIS 50 Ca 0.08 0.14 0.04 0.00 0.46 0.00 0.00 57.72 58.44 1yzi n HIS 50 Cb 0.53 -0.34 0.15 0.00 -0.12 0.00 0.00 29.99 30.21 1yzi n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1yzi n GLY 51 N -1.03 1.00 2.61 1.57 0.00 -1.26 -4.96 105.19 103.13 1yzi n GLY 51 Ca 0.00 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 1yzi n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1yzi n SER 52 N 0.35 -0.28 0.07 1.61 2.88 0.86 -4.82 113.62 114.29 1yzi n SER 52 Ca 0.11 0.87 -0.06 0.00 -1.33 0.00 0.00 58.87 58.45 1yzi n SER 52 Cb 0.39 -0.70 -0.08 0.00 -0.75 0.00 0.00 64.21 63.07 1yzi n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1yzi h ALA 53 N 1.81 0.43 -0.08 -1.46 0.00 -1.88 -2.38 119.26 115.71 1yzi h ALA 53 Ca -0.33 -0.85 -0.15 0.00 0.00 0.00 0.00 54.91 53.58 1yzi h ALA 53 Cb 1.08 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1yzi h ALA 53 CO 0.47 1.16 -0.62 0.37 0.00 0.00 0.00 179.25 180.64 1yzi h GLN 54 N 0.00 0.28 -0.03 0.00 4.15 -1.88 0.54 115.11 118.18 1yzi h GLN 54 Ca -0.01 -0.20 -0.25 0.00 0.77 0.00 0.00 58.65 58.96 1yzi h GLN 54 Cb 1.68 0.03 0.02 0.00 0.21 0.00 0.00 27.48 29.42 1yzi h GLN 54 CO 0.12 0.81 -0.95 0.28 -1.93 0.00 0.00 178.83 177.16 1yzi h VAL 55 N 0.21 1.29 -0.32 2.39 2.07 -1.73 -0.14 116.25 120.02 1yzi h VAL 55 Ca -0.01 -2.17 0.07 0.00 0.82 0.00 0.00 66.70 65.41 1yzi h VAL 55 Cb 1.13 2.33 -0.06 0.00 -1.52 0.00 0.00 31.29 33.17 1yzi h VAL 55 CO 0.10 0.67 -0.10 0.50 0.02 0.00 0.00 177.57 178.76 1yzi h LYS 56 N 0.37 -0.03 -0.61 1.57 3.64 -1.29 0.25 116.57 120.48 1yzi h LYS 56 Ca -0.11 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 1yzi h LYS 56 Cb 1.60 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.40 1yzi h LYS 56 CO 0.19 -0.02 0.33 0.78 -2.27 0.00 0.00 179.45 178.45 1yzi h GLY 57 N -0.03 0.91 1.70 5.01 0.00 -0.87 -2.61 103.07 107.18 1yzi h GLY 57 Ca 0.16 -0.42 -0.09 0.00 0.00 0.00 0.00 47.33 46.97 1yzi h GLY 57 CO -0.34 0.40 -0.28 0.84 0.00 0.00 0.00 176.54 177.16 1yzi h HIS 58 N 0.82 0.40 -0.83 5.60 -0.00 -0.10 -2.74 115.15 118.30 1yzi h HIS 58 Ca 0.21 -0.08 0.02 0.00 -0.00 0.00 0.00 60.37 60.52 1yzi h HIS 58 Cb 0.06 -0.10 -0.05 0.00 -0.00 0.00 0.00 27.41 27.33 1yzi h HIS 58 CO -0.01 0.61 0.55 0.78 -0.00 0.00 0.00 177.93 179.86 1yzi h GLY 59 N 1.04 1.18 1.13 5.26 0.00 -0.19 -1.72 103.07 109.77 1yzi h GLY 59 Ca 0.04 -0.42 -0.15 0.00 0.00 0.00 0.00 47.33 46.81 1yzi h GLY 59 CO 0.05 0.38 -0.32 1.70 0.00 0.00 0.00 176.54 178.35 1yzi h LYS 60 N 1.07 0.96 -0.90 4.80 3.64 -1.18 -1.30 116.57 123.66 1yzi h LYS 60 Ca 0.32 -0.47 -0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1yzi h LYS 60 Cb -0.03 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.74 1yzi h LYS 60 CO -0.09 1.13 0.54 0.87 -2.27 0.00 0.00 179.45 179.64 1yzi h LYS 61 N 0.80 1.22 0.03 1.90 1.57 -1.21 -0.04 116.57 120.84 1yzi h LYS 61 Ca 0.08 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1yzi h LYS 61 Cb 0.91 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.96 1yzi h LYS 61 CO 0.08 0.85 -0.02 0.28 -0.57 0.00 0.00 179.45 180.08 1yzi h VAL 62 N 1.24 1.22 -0.81 0.50 2.07 -1.19 -1.13 116.25 118.15 1yzi h VAL 62 Ca 0.32 -0.84 0.10 0.00 0.82 0.00 0.00 66.70 67.11 1yzi h VAL 62 Cb -0.06 1.78 -0.08 0.00 -1.52 0.00 0.00 31.29 31.42 1yzi h VAL 62 CO -0.06 0.21 0.45 0.00 0.02 0.00 0.00 177.57 178.19 1yzi h ALA 63 N 0.53 1.17 -0.34 1.67 0.00 -1.06 0.33 119.26 121.57 1yzi h ALA 63 Ca -0.00 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1yzi h ALA 63 Cb 0.38 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1yzi h ALA 63 CO 0.01 0.04 -0.20 -0.44 0.00 0.00 0.00 179.25 178.66 1yzi h ASP 64 N 0.73 0.64 -0.44 0.00 3.32 -0.90 0.18 116.42 119.95 1yzi h ASP 64 Ca 0.40 -0.21 -0.11 0.00 0.02 0.00 0.00 57.03 57.13 1yzi h ASP 64 Cb 0.42 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1yzi h ASP 64 CO -0.27 0.84 -0.15 0.00 -1.72 0.00 0.00 179.24 177.93 1yzi h ALA 65 N 1.22 0.81 -0.69 3.45 0.00 -0.05 -1.01 119.26 122.99 1yzi h ALA 65 Ca 0.09 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1yzi h ALA 65 Cb 0.66 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1yzi h ALA 65 CO 0.05 0.65 0.34 -0.07 0.00 0.00 0.00 179.25 180.22 1yzi h LEU 66 N 0.82 0.89 -1.11 0.00 3.38 -0.37 0.86 115.31 119.78 1yzi h LEU 66 Ca 0.12 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1yzi h LEU 66 Cb 0.70 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 1yzi h LEU 66 CO 0.05 0.77 0.60 0.74 0.09 0.00 0.00 178.44 180.69 1yzi h THR 67 N 0.95 1.20 -0.48 0.22 2.02 -0.43 0.11 112.91 116.50 1yzi h THR 67 Ca 0.24 -0.41 -0.10 0.00 0.77 0.00 0.00 66.41 66.90 1yzi h THR 67 Cb 0.10 -0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.39 1yzi h THR 67 CO -0.03 0.22 -0.12 -1.13 0.37 0.00 0.00 175.52 174.83 1yzi h ASN 68 N 1.21 0.88 -0.27 4.18 -1.24 0.11 -1.81 115.58 118.64 1yzi h ASN 68 Ca 0.35 -0.28 -0.04 0.00 0.71 0.00 0.00 56.30 57.04 1yzi h ASN 68 Cb -0.08 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 38.72 1yzi h ASN 68 CO -0.09 1.01 0.01 0.00 -1.29 0.00 0.00 177.43 177.08 1yzi h ALA 69 N 1.07 0.37 -0.97 1.57 0.00 -0.20 -2.23 119.26 118.87 1yzi h ALA 69 Ca 0.13 -0.21 0.21 0.00 0.00 0.00 0.00 54.91 55.03 1yzi h ALA 69 Cb 0.64 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.24 1yzi h ALA 69 CO 0.04 0.09 0.62 0.28 0.00 0.00 0.00 179.25 180.28 1yzi h VAL 70 N 0.27 0.66 0.00 0.00 2.07 -0.49 -0.34 116.25 118.43 1yzi h VAL 70 Ca 0.08 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1yzi h VAL 70 Cb 0.40 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1yzi h VAL 70 CO 0.01 0.10 -0.11 0.00 0.02 0.00 0.00 177.57 177.59 1yzi n ALA 71 N -2.44 2.49 -2.54 1.67 0.00 -0.71 -4.02 120.51 114.96 1yzi n ALA 71 Ca 0.22 -0.11 -0.16 0.00 0.00 0.00 0.00 53.44 53.39 1yzi n ALA 71 Cb 0.68 -1.41 0.02 0.00 0.00 0.00 0.00 19.45 18.74 1yzi n ALA 71 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1yzi n HIS 72 N -1.84 2.12 -0.33 0.00 8.25 -0.18 -4.92 115.22 118.33 1yzi n HIS 72 Ca 0.06 -2.72 0.16 0.00 -0.26 0.00 0.00 57.72 54.95 1yzi n HIS 72 Cb 0.38 -0.25 0.39 0.00 1.12 0.00 0.00 29.99 31.63 1yzi n HIS 72 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1yzi h VAL 73 N 3.15 0.66 -0.36 1.59 2.07 -1.60 0.56 116.25 122.33 1yzi h VAL 73 Ca 0.09 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1yzi h VAL 73 Cb 1.16 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1yzi h VAL 73 CO 0.60 0.12 0.00 0.47 0.02 0.00 0.00 177.57 178.78 1yzi n ASP 74 N -4.70 3.33 -0.72 0.57 9.92 -1.26 -4.16 116.55 119.53 1yzi n ASP 74 Ca 0.23 -1.98 0.03 0.00 -0.53 0.00 0.00 54.79 52.55 1yzi n ASP 74 Cb 0.65 -0.23 0.05 0.00 -0.64 0.00 0.00 41.12 40.95 1yzi n ASP 74 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1yzi n ASP 75 N 1.41 0.87 -0.16 -2.24 4.64 -0.01 -4.94 116.55 116.13 1yzi n ASP 75 Ca 0.19 -2.40 -0.02 0.00 -1.38 0.00 0.00 54.79 51.18 1yzi n ASP 75 Cb 0.59 -0.30 0.07 0.00 -1.04 0.00 0.00 41.12 40.43 1yzi n ASP 75 CO 0.00 0.00 0.00 0.24 -0.82 0.00 0.00 177.20 176.62 1yzi h MET 76 N 0.39 0.27 -0.22 -0.67 2.86 -1.18 0.34 114.93 116.72 1yzi h MET 76 Ca -0.07 -0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 57.50 1yzi h MET 76 Cb 1.43 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 33.02 1yzi h MET 76 CO 0.03 0.18 -0.13 -1.00 1.06 0.00 0.00 176.91 177.05 1yzi h PRO 77 N 0.28 0.36 -0.15 -0.22 0.13 -1.92 0.21 132.00 130.69 1yzi h PRO 77 Ca 0.25 -0.09 -0.11 0.00 -0.87 0.00 0.00 66.00 65.18 1yzi h PRO 77 Cb 0.32 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.40 1yzi h PRO 77 CO -0.30 0.49 -0.33 -0.97 -0.23 0.00 0.00 178.00 176.66 1yzi h ASN 78 N 0.33 0.54 -0.86 1.44 -1.24 -1.82 -1.97 115.58 112.00 1yzi h ASN 78 Ca 0.07 -0.57 0.12 0.00 0.71 0.00 0.00 56.30 56.62 1yzi h ASN 78 Cb 0.43 -0.16 -0.08 0.00 0.73 0.00 0.00 38.32 39.25 1yzi h ASN 78 CO 0.02 1.01 0.49 0.00 -1.29 0.00 0.00 177.43 177.66 1yzi h ALA 79 N 0.55 1.27 -0.31 1.57 0.00 -0.22 -3.07 119.26 119.05 1yzi h ALA 79 Ca 0.00 0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 1yzi h ALA 79 Cb 0.93 -0.11 -0.11 0.00 0.00 0.00 0.00 17.79 18.50 1yzi h ALA 79 CO 0.07 0.06 -0.19 1.28 0.00 0.00 0.00 179.25 180.47 1yzi n LEU 80 N -4.76 3.96 0.14 0.00 4.77 0.66 -4.82 117.00 116.95 1yzi n LEU 80 Ca 0.16 -3.88 -0.16 0.00 -0.03 0.00 0.00 56.01 52.10 1yzi n LEU 80 Cb 0.34 -0.61 -0.09 0.00 -2.33 0.00 0.00 43.42 40.73 1yzi n LEU 80 CO 0.25 1.35 0.51 -1.28 -1.33 0.00 0.00 177.39 176.90 1yzi h SER 81 N 1.08 -1.44 -0.19 -1.43 0.87 -1.25 0.81 113.55 112.00 1yzi h SER 81 Ca 0.20 0.14 0.05 0.00 -1.23 0.00 0.00 61.79 60.95 1yzi h SER 81 Cb 1.51 0.52 -0.07 0.00 -0.44 0.00 0.00 62.40 63.92 1yzi h SER 81 CO 0.35 -0.55 -0.29 0.00 -0.53 0.00 0.00 176.83 175.82 1yzi h ALA 82 N -0.70 -0.27 -0.86 6.23 0.00 -1.87 -0.53 119.26 121.27 1yzi h ALA 82 Ca -0.02 0.05 0.18 0.00 0.00 0.00 0.00 54.91 55.11 1yzi h ALA 82 Cb 0.73 0.57 -0.06 0.00 0.00 0.00 0.00 17.79 19.03 1yzi h ALA 82 CO -0.22 -0.74 0.57 -0.07 0.00 0.00 0.00 179.25 178.78 1yzi h LEU 83 N -0.33 0.45 -0.12 0.00 3.38 -1.83 0.27 115.31 117.13 1yzi h LEU 83 Ca 0.12 0.04 -0.12 0.00 0.09 0.00 0.00 57.88 58.01 1yzi h LEU 83 Cb 0.51 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1yzi h LEU 83 CO -0.37 0.20 -0.38 -1.28 0.09 0.00 0.00 178.44 176.70 1yzi h SER 84 N 0.46 0.54 -0.78 -0.43 0.87 0.11 -2.08 113.55 112.24 1yzi h SER 84 Ca 0.44 -0.61 -0.05 0.00 -1.23 0.00 0.00 61.79 60.34 1yzi h SER 84 Cb 0.99 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.76 1yzi h SER 84 CO -0.17 1.05 0.29 0.44 -0.53 0.00 0.00 176.83 177.92 1yzi h ASP 85 N 0.06 1.10 0.14 6.23 3.32 0.49 0.20 116.42 127.95 1yzi h ASP 85 Ca -0.01 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.85 1yzi h ASP 85 Cb 1.01 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 1yzi h ASP 85 CO 0.08 0.99 -0.14 0.25 -1.72 0.00 0.00 179.24 178.70 1yzi h LEU 86 N 1.15 -0.36 0.08 1.55 6.46 -0.48 -0.35 115.31 123.35 1yzi h LEU 86 Ca 0.26 0.04 -0.28 0.00 -0.12 0.00 0.00 57.88 57.77 1yzi h LEU 86 Cb 0.25 0.13 0.02 0.00 -0.73 0.00 0.00 40.66 40.32 1yzi h LEU 86 CO -0.02 -0.21 -1.22 0.45 -0.62 0.00 0.00 178.44 176.83 1yzi h HIS 87 N -0.30 0.74 0.00 1.25 3.86 -1.21 -2.10 115.15 117.39 1yzi h HIS 87 Ca 0.00 -0.49 -0.06 0.00 -1.16 0.00 0.00 60.37 58.66 1yzi h HIS 87 Cb 0.29 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.70 1yzi h HIS 87 CO -0.13 1.35 -0.37 0.00 0.86 0.00 0.00 177.93 179.64 1yzi h ALA 88 N 0.47 0.07 -1.57 2.45 0.00 -0.65 0.82 119.26 120.85 1yzi h ALA 88 Ca -0.16 -0.66 -0.70 0.00 0.00 0.00 0.00 54.91 53.40 1yzi h ALA 88 Cb 1.90 0.23 -0.34 0.00 0.00 0.00 0.00 17.79 19.58 1yzi h ALA 88 CO 0.22 0.22 0.25 0.72 0.00 0.00 0.00 179.25 180.66 1yzi n HIS 89 N -4.58 3.31 0.01 0.00 8.25 -0.14 -3.70 115.22 118.36 1yzi n HIS 89 Ca -0.15 -3.05 0.00 0.00 -0.26 0.00 0.00 57.72 54.26 1yzi n HIS 89 Cb 0.49 -0.81 0.00 0.00 1.12 0.00 0.00 29.99 30.79 1yzi n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1yzi n LYS 90 N -0.27 0.00 0.07 -0.41 3.00 -1.23 -4.78 118.16 114.54 1yzi n LYS 90 Ca 0.42 0.00 0.11 0.00 -0.00 0.00 0.00 58.31 58.84 1yzi n LYS 90 Cb 0.36 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.34 1yzi n LYS 90 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1yzi n LEU 91 N -2.51 0.60 -3.70 3.14 4.77 -0.79 -4.99 117.00 113.51 1yzi n LEU 91 Ca 0.00 0.22 -0.31 0.00 -0.03 0.00 0.00 56.01 55.90 1yzi n LEU 91 Cb 0.00 -0.04 0.03 0.00 -2.33 0.00 0.00 43.42 41.08 1yzi n LEU 91 CO 0.00 -0.13 -0.07 0.54 -1.33 0.00 0.00 177.39 176.40 1yzi n ARG 92 N -2.54 -1.12 -2.31 3.23 5.12 -0.72 -4.90 116.66 113.43 1yzi n ARG 92 Ca -0.01 0.52 -0.42 0.00 -1.93 0.00 0.00 57.85 56.01 1yzi n ARG 92 Cb 0.55 -3.83 -0.03 0.00 -1.16 0.00 0.00 32.46 27.99 1yzi n ARG 92 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1yzi s VAL 93 N -3.38 3.68 0.10 1.55 1.01 0.20 -4.95 120.40 118.61 1yzi s VAL 93 Ca 0.39 1.22 -0.31 0.00 0.00 0.00 0.00 61.98 63.29 1yzi s VAL 93 Cb -0.15 -3.78 -0.10 0.00 0.00 0.00 0.00 36.38 32.35 1yzi s VAL 93 CO 0.87 0.10 1.79 -0.62 0.00 0.00 0.00 175.10 177.25 1yzi s ASP 94 N 1.00 6.47 0.40 3.32 -1.08 -1.26 -4.86 116.67 120.67 1yzi s ASP 94 Ca 0.61 2.68 0.18 0.00 -0.52 0.00 0.00 52.55 55.50 1yzi s ASP 94 Cb -0.33 -2.56 1.10 0.00 -1.46 0.00 0.00 42.92 39.66 1yzi s ASP 94 CO 0.30 -0.98 1.79 -0.65 0.52 0.00 0.00 175.17 176.16 1yzi h PRO 95 N 8.66 0.39 -0.96 4.34 0.11 -1.99 0.12 132.00 142.67 1yzi h PRO 95 Ca -0.45 -0.02 0.16 0.00 0.11 0.00 0.00 66.00 65.79 1yzi h PRO 95 Cb 1.21 -0.09 -0.10 0.00 0.11 0.00 0.00 31.00 32.14 1yzi h PRO 95 CO 0.94 0.26 0.57 0.28 -0.21 0.00 0.00 178.00 179.84 1yzi h VAL 96 N 0.40 0.78 -0.47 3.15 2.07 -2.01 -1.04 116.25 119.13 1yzi h VAL 96 Ca 0.56 -0.27 0.10 0.00 0.82 0.00 0.00 66.70 67.91 1yzi h VAL 96 Cb 1.42 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1yzi h VAL 96 CO -0.26 0.15 0.32 0.78 0.02 0.00 0.00 177.57 178.58 1yzi h ASN 97 N 0.79 0.15 -0.43 0.57 2.35 -1.12 -0.26 115.58 117.64 1yzi h ASN 97 Ca 0.52 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 56.21 1yzi h ASN 97 Cb 0.70 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 39.03 1yzi h ASN 97 CO -0.34 0.09 0.00 -0.26 -1.65 0.00 0.00 177.43 175.28 1yzi h PHE 98 N 0.17 0.82 -0.72 1.19 0.04 -1.28 -0.26 116.94 116.90 1yzi h PHE 98 Ca 0.22 -0.14 -0.00 0.00 2.80 0.00 0.00 57.97 60.85 1yzi h PHE 98 Cb 0.64 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 38.54 1yzi h PHE 98 CO -0.00 0.81 0.44 0.87 -0.60 0.00 0.00 178.31 179.83 1yzi h LYS 99 N 0.59 0.97 -0.49 1.51 1.57 -1.08 0.87 116.57 120.52 1yzi h LYS 99 Ca 0.12 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1yzi h LYS 99 Cb 0.48 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1yzi h LYS 99 CO 0.02 0.68 0.22 -0.07 -0.57 0.00 0.00 179.45 179.73 1yzi h LEU 100 N 0.98 0.65 -0.43 2.94 3.38 -0.99 -0.68 115.31 121.15 1yzi h LEU 100 Ca 0.26 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 1yzi h LEU 100 Cb -0.04 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1yzi h LEU 100 CO -0.05 0.61 -0.12 0.25 0.09 0.00 0.00 178.44 179.22 1yzi h LEU 101 N 0.64 0.86 -0.53 1.67 5.85 -0.78 -2.10 115.31 120.91 1yzi h LEU 101 Ca 0.17 -0.37 0.08 0.00 0.84 0.00 0.00 57.88 58.60 1yzi h LEU 101 Cb 0.15 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 40.87 1yzi h LEU 101 CO -0.02 1.03 0.16 0.28 -0.34 0.00 0.00 178.44 179.55 1yzi h SER 102 N 0.68 0.11 -0.40 1.25 0.02 -0.62 0.92 113.55 115.51 1yzi h SER 102 Ca 0.11 0.08 0.01 0.00 -0.84 0.00 0.00 61.79 61.15 1yzi h SER 102 Cb 0.67 0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.27 1yzi h SER 102 CO 0.05 0.08 0.25 -0.74 -1.14 0.00 0.00 176.83 175.33 1yzi h HIS 103 N 0.31 0.48 0.00 3.45 -0.00 -0.99 -1.31 115.15 117.09 1yzi h HIS 103 Ca 0.27 0.01 -0.06 0.00 -0.00 0.00 0.00 60.37 60.58 1yzi h HIS 103 Cb 0.34 -0.16 -0.01 0.00 -0.00 0.00 0.00 27.41 27.58 1yzi h HIS 103 CO -0.20 0.29 -0.31 0.00 -0.00 0.00 0.00 177.93 177.72 1yzi h LEU 105 N 0.00 0.58 -0.60 0.00 4.07 -0.54 -0.80 115.31 118.02 1yzi h LEU 105 Ca -0.00 -0.42 -0.13 0.00 0.08 0.00 0.00 57.88 57.40 1yzi h LEU 105 Cb 0.65 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 42.22 1yzi h LEU 105 CO 0.04 0.87 -0.34 -0.07 -1.08 0.00 0.00 178.44 177.86 1yzi h LEU 106 N 0.29 0.77 -0.62 1.67 3.38 -0.55 -2.05 115.31 118.19 1yzi h LEU 106 Ca 0.06 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 1yzi h LEU 106 Cb 0.66 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1yzi h LEU 106 CO 0.04 1.04 0.34 0.58 0.09 0.00 0.00 178.44 180.53 1yzi h VAL 107 N 0.61 1.20 -0.27 1.22 2.07 -0.88 0.59 116.25 120.79 1yzi h VAL 107 Ca 0.06 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1yzi h VAL 107 Cb 0.87 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1yzi h VAL 107 CO 0.08 0.22 0.17 0.74 0.02 0.00 0.00 177.57 178.79 1yzi h THR 108 N 0.85 1.09 -0.37 2.57 2.02 -0.91 -0.45 112.91 117.70 1yzi h THR 108 Ca 0.22 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 67.20 1yzi h THR 108 Cb 0.05 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 1yzi h THR 108 CO -0.03 0.08 0.20 -0.07 0.37 0.00 0.00 175.52 176.07 1yzi h LEU 109 N 0.35 0.47 -1.60 2.58 3.38 -1.13 -2.51 115.31 116.86 1yzi h LEU 109 Ca 0.10 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1yzi h LEU 109 Cb -0.01 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1yzi h LEU 109 CO -0.02 0.44 0.11 0.00 0.09 0.00 0.00 178.44 179.05 1yzi h ALA 110 N 1.05 1.69 0.00 1.53 0.00 -0.58 0.15 119.26 123.11 1yzi h ALA 110 Ca 0.13 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1yzi h ALA 110 Cb 0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1yzi h ALA 110 CO -0.02 0.25 -0.38 0.00 0.00 0.00 0.00 179.25 179.10 1yzi h ALA 111 N 1.75 1.06 0.00 0.00 0.00 -0.67 -3.10 119.26 118.30 1yzi h ALA 111 Ca 0.09 -0.35 -0.28 0.00 0.00 0.00 0.00 54.91 54.38 1yzi h ALA 111 Cb 0.08 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1yzi h ALA 111 CO -0.01 0.47 -2.22 0.72 0.00 0.00 0.00 179.25 178.21 1yzi n HIS 112 N -3.64 0.10 -3.05 0.00 -0.00 -0.96 -4.70 115.22 102.98 1yzi n HIS 112 Ca -0.01 0.03 -0.22 0.00 -0.00 0.00 0.00 57.72 57.53 1yzi n HIS 112 Cb 0.49 -0.91 -0.03 0.00 -0.00 0.00 0.00 29.99 29.54 1yzi n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1yzi n LEU 113 N -2.67 2.46 -0.23 2.41 4.77 0.48 -4.93 117.00 119.28 1yzi n LEU 113 Ca -0.25 -5.24 -0.02 0.00 -0.03 0.00 0.00 56.01 50.47 1yzi n LEU 113 Cb 1.01 0.15 0.10 0.00 -2.33 0.00 0.00 43.42 42.35 1yzi n LEU 113 CO 0.44 2.29 1.09 1.55 -1.33 0.00 0.00 177.39 181.43 1yzi h PRO 114 N 2.98 0.67 -0.43 3.23 0.14 -1.74 -0.36 132.00 136.49 1yzi h PRO 114 Ca 0.11 -0.04 -0.07 0.00 0.14 0.00 0.00 66.00 66.14 1yzi h PRO 114 Cb 0.79 -0.15 -0.02 0.00 0.14 0.00 0.00 31.00 31.75 1yzi h PRO 114 CO 0.64 0.44 -0.02 0.00 0.14 0.00 0.00 178.00 179.20 1yzi h ALA 115 N 1.35 1.16 0.00 -0.56 0.00 -1.91 -3.03 119.26 116.26 1yzi h ALA 115 Ca 0.30 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1yzi h ALA 115 Cb 0.18 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1yzi h ALA 115 CO -0.18 0.54 -0.79 1.05 0.00 0.00 0.00 179.25 179.87 1yzi h GLU 116 N 0.67 0.00 -3.70 0.00 9.09 -1.87 -3.41 114.58 115.36 1yzi h GLU 116 Ca 0.13 0.00 -0.71 0.00 0.05 0.00 0.00 59.36 58.83 1yzi h GLU 116 Cb 0.44 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.50 1yzi h GLU 116 CO 0.02 0.00 3.11 0.34 0.05 0.00 0.00 179.01 182.53 1yzi n PHE 117 N -2.36 3.22 -1.95 2.06 7.35 -0.18 -4.82 117.46 120.78 1yzi n PHE 117 Ca 0.02 -2.97 -0.29 0.00 -0.76 0.00 0.00 57.45 53.44 1yzi n PHE 117 Cb 0.49 -2.45 0.05 0.00 0.35 0.00 0.00 39.48 37.92 1yzi n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1yzi s THR 118 N 2.50 3.25 0.23 -2.13 -4.23 -1.26 -4.77 115.64 109.23 1yzi s THR 118 Ca 0.51 0.34 -0.07 0.00 -1.18 0.00 0.00 61.69 61.29 1yzi s THR 118 Cb 0.14 -3.39 0.19 0.00 1.34 0.00 0.00 72.50 70.78 1yzi s THR 118 CO -0.07 -0.50 1.72 -0.65 -0.54 0.00 0.00 174.62 174.58 1yzi h PRO 119 N -0.67 0.37 -0.50 3.99 0.11 -1.98 0.16 132.00 133.48 1yzi h PRO 119 Ca -0.45 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 1yzi h PRO 119 Cb 1.27 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1yzi h PRO 119 CO 0.64 0.24 0.23 0.00 -0.21 0.00 0.00 178.00 178.90 1yzi h ALA 120 N 1.50 1.47 0.03 -0.75 0.00 -1.97 0.26 119.26 119.80 1yzi h ALA 120 Ca 0.36 -0.11 -0.26 0.00 0.00 0.00 0.00 54.91 54.90 1yzi h ALA 120 Cb 0.53 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.13 1yzi h ALA 120 CO -0.38 0.42 -1.06 0.28 0.00 0.00 0.00 179.25 178.51 1yzi h VAL 121 N 0.70 1.34 -0.63 0.00 2.07 -1.37 -1.95 116.25 116.42 1yzi h VAL 121 Ca 0.17 -2.43 -0.00 0.00 0.82 0.00 0.00 66.70 65.26 1yzi h VAL 121 Cb 0.09 2.50 -0.03 0.00 -1.52 0.00 0.00 31.29 32.32 1yzi h VAL 121 CO -0.02 0.73 0.38 -0.74 0.02 0.00 0.00 177.57 177.94 1yzi h HIS 122 N 0.28 0.83 -0.50 1.57 6.17 -0.34 0.14 115.15 123.30 1yzi h HIS 122 Ca -0.12 -0.00 -0.11 0.00 0.71 0.00 0.00 60.37 60.85 1yzi h HIS 122 Cb 1.71 -0.27 -0.02 0.00 2.52 0.00 0.00 27.41 31.35 1yzi h HIS 122 CO 0.08 0.57 -0.10 0.00 0.71 0.00 0.00 177.93 179.19 1yzi h ALA 123 N 1.19 0.68 -0.51 5.26 0.00 -0.90 -0.89 119.26 124.09 1yzi h ALA 123 Ca 0.23 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 1yzi h ALA 123 Cb -0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1yzi h ALA 123 CO -0.04 0.58 -0.14 0.77 0.00 0.00 0.00 179.25 180.42 1yzi h SER 124 N 0.80 0.99 -0.45 0.00 0.02 -0.78 -1.75 113.55 112.39 1yzi h SER 124 Ca 0.13 -0.34 -0.09 0.00 -0.84 0.00 0.00 61.79 60.65 1yzi h SER 124 Cb 0.66 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 1yzi h SER 124 CO 0.05 1.12 -0.07 -0.07 -1.14 0.00 0.00 176.83 176.72 1yzi h LEU 125 N 0.87 0.84 -0.67 5.07 -0.00 -0.66 -2.03 115.31 118.71 1yzi h LEU 125 Ca 0.13 -0.34 -0.01 0.00 -0.00 0.00 0.00 57.88 57.65 1yzi h LEU 125 Cb 0.71 -0.23 -0.03 0.00 -0.00 0.00 0.00 40.66 41.11 1yzi h LEU 125 CO 0.05 0.98 0.37 -0.78 -0.00 0.00 0.00 178.44 179.07 1yzi h ASP 126 N 0.67 0.84 -0.28 -0.43 1.82 -1.02 0.95 116.42 118.97 1yzi h ASP 126 Ca 0.12 -0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.67 1yzi h ASP 126 Cb 0.59 -0.21 -0.02 0.00 0.68 0.00 0.00 39.33 40.37 1yzi h ASP 126 CO 0.04 0.69 0.18 0.11 -1.61 0.00 0.00 179.24 178.65 1yzi h LYS 127 N 0.92 0.36 0.38 0.28 1.57 -1.17 -0.67 116.57 118.24 1yzi h LYS 127 Ca 0.24 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1yzi h LYS 127 Cb 0.03 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 1yzi h LYS 127 CO -0.04 0.24 -0.45 0.35 -0.57 0.00 0.00 179.45 178.98 1yzi h PHE 128 N 0.37 -1.25 -0.34 -1.35 3.57 -0.94 0.20 116.94 117.21 1yzi h PHE 128 Ca 0.11 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.69 1yzi h PHE 128 Cb -0.04 0.50 -0.02 0.00 2.79 0.00 0.00 35.95 39.18 1yzi h PHE 128 CO -0.06 -0.60 0.24 -0.07 -2.23 0.00 0.00 178.31 175.59 1yzi h LEU 129 N -0.86 0.15 -0.56 0.59 3.38 -0.62 -1.01 115.31 116.39 1yzi h LEU 129 Ca -0.03 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.78 1yzi h LEU 129 Cb 0.78 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1yzi h LEU 129 CO -0.11 0.10 -0.68 0.00 0.09 0.00 0.00 178.44 177.84 1yzi h ALA 130 N 1.82 0.77 -0.12 1.53 0.00 -0.32 0.63 119.26 123.57 1yzi h ALA 130 Ca 0.16 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1yzi h ALA 130 Cb 0.40 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1yzi h ALA 130 CO -0.02 0.79 0.04 0.77 0.00 0.00 0.00 179.25 180.83 1yzi h SER 131 N 0.13 0.17 -0.50 0.00 0.02 0.26 0.13 113.55 113.77 1yzi h SER 131 Ca -0.02 -0.18 0.05 0.00 -0.84 0.00 0.00 61.79 60.80 1yzi h SER 131 Cb 1.22 -0.05 -0.05 0.00 0.14 0.00 0.00 62.40 63.67 1yzi h SER 131 CO 0.10 0.31 0.24 0.58 -1.14 0.00 0.00 176.83 176.92 1yzi h VAL 132 N 0.03 0.93 -0.79 2.27 2.07 -1.07 -2.31 116.25 117.38 1yzi h VAL 132 Ca 0.04 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 1yzi h VAL 132 Cb 0.20 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 1yzi h VAL 132 CO -0.00 0.08 0.37 0.28 0.02 0.00 0.00 177.57 178.32 1yzi h SER 133 N 0.46 1.03 -0.59 0.57 0.02 -0.65 -0.81 113.55 113.58 1yzi h SER 133 Ca 0.22 -0.12 0.07 0.00 -0.84 0.00 0.00 61.79 61.13 1yzi h SER 133 Cb 0.15 -0.26 -0.06 0.00 0.14 0.00 0.00 62.40 62.37 1yzi h SER 133 CO -0.17 0.87 0.26 0.74 -1.14 0.00 0.00 176.83 177.39 1yzi h THR 134 N 1.12 0.86 0.14 -2.27 2.02 -0.22 -1.96 112.91 112.59 1yzi h THR 134 Ca 0.27 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 67.28 1yzi h THR 134 Cb 0.12 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 66.86 1yzi h THR 134 CO -0.03 0.09 -0.07 0.58 0.37 0.00 0.00 175.52 176.46 1yzi h VAL 135 N 0.48 1.01 -0.04 3.16 2.07 -0.92 -1.47 116.25 120.55 1yzi h VAL 135 Ca 0.28 -0.69 0.01 0.00 0.82 0.00 0.00 66.70 67.13 1yzi h VAL 135 Cb 0.28 1.43 -0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1yzi h VAL 135 CO -0.24 0.16 0.07 -0.07 0.02 0.00 0.00 177.57 177.51 1yzi h LEU 136 N -0.52 0.00 -1.82 2.57 3.38 -0.95 0.39 115.31 118.37 1yzi h LEU 136 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1yzi h LEU 136 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1yzi h LEU 136 CO 0.03 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.91 1yzi n THR 137 N -3.44 0.16 -0.28 0.22 -2.24 -0.76 -3.58 114.28 104.37 1yzi n THR 137 Ca -0.02 -0.58 -0.07 0.00 -2.27 0.00 0.00 64.05 61.11 1yzi n THR 137 Cb 0.16 1.21 -0.03 0.00 -2.10 0.00 0.00 70.33 69.56 1yzi n THR 137 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1yzi h SER 138 N 3.16 -1.60 0.00 3.42 0.87 0.91 -0.62 113.55 119.68 1yzi h SER 138 Ca 0.00 0.27 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 1yzi h SER 138 Cb 0.70 0.75 0.00 0.00 -0.44 0.00 0.00 62.40 63.41 1yzi h SER 138 CO 0.00 -0.31 0.32 0.29 -0.53 0.00 0.00 176.83 176.61 1yzi n LYS 139 N -5.39 0.04 0.04 2.24 4.76 -1.26 -0.09 118.16 118.50 1yzi n LYS 139 Ca 0.04 0.41 -0.19 0.00 -2.87 0.00 0.00 58.31 55.70 1yzi n LYS 139 Cb 0.34 -1.96 -0.14 0.00 -1.84 0.00 0.00 35.03 31.43 1yzi n LYS 139 CO 0.00 0.00 0.00 1.88 -1.37 0.00 0.00 177.40 177.91 1yzi h TYR 140 N 0.00 0.48 -0.02 2.13 0.99 -1.44 -3.47 116.97 115.65 1yzi h TYR 140 Ca 0.00 -0.35 0.00 0.00 2.00 0.00 0.00 58.73 60.38 1yzi h TYR 140 Cb 0.65 -0.02 0.00 0.00 1.00 0.00 0.00 36.73 38.36 1yzi h TYR 140 CO 0.00 1.28 0.00 2.89 -0.00 0.00 0.00 178.16 182.33