#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yeo s LEU 2 N 0.00 4.37 0.36 7.52 1.43 -1.26 -5.06 118.68 126.04 1yeo s LEU 2 Ca 0.00 1.97 -0.00 0.00 -1.03 0.00 0.00 54.13 55.07 1yeo s LEU 2 Cb 0.00 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.61 1yeo s LEU 2 CO 0.00 -0.45 0.58 -0.94 0.23 0.00 0.00 176.35 175.77 1yeo s SER 3 N 1.06 6.30 0.42 2.29 1.04 -1.26 -4.94 113.70 118.61 1yeo s SER 3 Ca 0.58 0.52 0.11 0.00 0.48 0.00 0.00 55.95 57.65 1yeo s SER 3 Cb -0.28 -2.07 0.96 0.00 0.10 0.00 0.00 66.02 64.73 1yeo s SER 3 CO 0.29 -0.33 2.00 -0.65 0.98 0.00 0.00 173.24 175.53 1yeo h PRO 4 N 0.73 0.46 -0.16 4.02 0.11 -1.99 -0.47 132.00 134.70 1yeo h PRO 4 Ca -0.49 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.47 1yeo h PRO 4 Cb 1.22 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1yeo h PRO 4 CO 0.62 0.31 -0.40 0.00 -0.21 0.00 0.00 178.00 178.31 1yeo h ALA 5 N 1.71 1.01 0.12 -0.75 0.00 -1.99 -1.72 119.26 117.64 1yeo h ALA 5 Ca 0.24 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1yeo h ALA 5 Cb 0.34 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1yeo h ALA 5 CO -0.07 0.61 -0.06 -0.44 0.00 0.00 0.00 179.25 179.30 1yeo h ASP 6 N 0.31 -0.14 -0.94 0.00 3.32 -1.58 -1.72 116.42 115.68 1yeo h ASP 6 Ca 0.03 -0.14 0.17 0.00 0.02 0.00 0.00 57.03 57.10 1yeo h ASP 6 Cb 0.84 0.04 -0.10 0.00 0.22 0.00 0.00 39.33 40.32 1yeo h ASP 6 CO 0.07 0.06 0.53 0.11 -1.72 0.00 0.00 179.24 178.30 1yeo h LYS 7 N -0.33 0.69 -0.20 3.56 1.57 -0.97 0.25 116.57 121.14 1yeo h LYS 7 Ca -0.02 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.67 1yeo h LYS 7 Cb 0.27 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1yeo h LYS 7 CO 0.03 0.45 -0.08 1.15 -0.57 0.00 0.00 179.45 180.44 1yeo h THR 8 N 0.71 1.30 -0.73 -0.16 2.02 -1.21 -1.91 112.91 112.94 1yeo h THR 8 Ca 0.53 -1.10 0.01 0.00 0.77 0.00 0.00 66.41 66.62 1yeo h THR 8 Cb 0.78 1.61 -0.04 0.00 -1.74 0.00 0.00 68.15 68.77 1yeo h THR 8 CO -0.37 0.33 0.48 0.78 0.37 0.00 0.00 175.52 177.11 1yeo h ASN 9 N 0.10 0.82 -0.31 4.18 2.35 -0.38 -1.90 115.58 120.44 1yeo h ASN 9 Ca 0.05 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 1yeo h ASN 9 Cb 0.55 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 1yeo h ASN 9 CO 0.02 0.59 0.13 0.58 -1.65 0.00 0.00 177.43 177.10 1yeo h VAL 10 N 0.97 1.17 -0.58 2.81 2.07 -0.92 -0.58 116.25 121.19 1yeo h VAL 10 Ca 0.27 -0.52 0.04 0.00 0.82 0.00 0.00 66.70 67.32 1yeo h VAL 10 Cb -0.09 0.95 -0.05 0.00 -1.52 0.00 0.00 31.29 30.59 1yeo h VAL 10 CO -0.07 0.18 0.32 0.11 0.02 0.00 0.00 177.57 178.14 1yeo h LYS 11 N 0.35 0.60 -0.25 1.57 1.57 -1.09 0.23 116.57 119.55 1yeo h LYS 11 Ca 0.10 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.74 1yeo h LYS 11 Cb 0.16 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 1yeo h LYS 11 CO -0.01 0.40 -0.26 0.00 -0.57 0.00 0.00 179.45 179.00 1yeo h ALA 12 N 1.29 0.37 -0.05 3.86 0.00 -1.19 0.49 119.26 124.04 1yeo h ALA 12 Ca 0.25 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1yeo h ALA 12 Cb 0.12 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1yeo h ALA 12 CO -0.15 0.36 0.03 0.00 0.00 0.00 0.00 179.25 179.49 1yeo h ALA 13 N 0.68 0.06 -0.18 0.00 0.00 -0.94 -2.74 119.26 116.14 1yeo h ALA 13 Ca 0.04 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1yeo h ALA 13 Cb 0.83 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1yeo h ALA 13 CO 0.06 -0.40 -0.23 2.35 0.00 0.00 0.00 179.25 181.03 1yeo h TRP 14 N 0.00 0.36 -0.02 0.00 2.91 -0.90 -2.32 115.95 115.97 1yeo h TRP 14 Ca 0.02 -0.07 -0.03 0.00 1.13 0.00 0.00 58.89 59.95 1yeo h TRP 14 Cb 0.07 -0.09 -0.00 0.00 -0.51 0.00 0.00 29.16 28.62 1yeo h TRP 14 CO -0.05 0.54 -0.10 0.78 -1.03 0.00 0.00 178.44 178.58 1yeo h GLY 15 N 0.97 0.04 1.58 2.65 0.00 -0.64 -1.59 103.07 106.08 1yeo h GLY 15 Ca 0.05 -0.02 -0.23 0.00 0.00 0.00 0.00 47.33 47.13 1yeo h GLY 15 CO 0.04 0.02 -0.99 0.50 0.00 0.00 0.00 176.54 176.11 1yeo h LYS 16 N 0.03 0.37 -0.67 4.80 1.79 -1.14 -3.11 116.57 118.64 1yeo h LYS 16 Ca 0.01 -0.43 0.14 0.00 -2.18 0.00 0.00 60.65 58.19 1yeo h LYS 16 Cb 0.21 0.13 -0.10 0.00 -1.58 0.00 0.00 32.23 30.89 1yeo h LYS 16 CO 0.01 1.11 0.14 0.28 -1.08 0.00 0.00 179.45 179.92 1yeo h VAL 17 N 0.19 0.56 0.00 0.50 2.07 -1.02 -3.44 116.25 115.11 1yeo h VAL 17 Ca -0.09 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1yeo h VAL 17 Cb 1.64 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1yeo h VAL 17 CO 0.17 0.05 0.00 0.61 0.02 0.00 0.00 177.57 178.41 1yeo n GLY 18 N -1.34 1.84 0.12 2.17 0.00 -1.09 -1.45 105.19 105.43 1yeo n GLY 18 Ca 0.12 -0.20 0.06 0.00 0.00 0.00 0.00 46.02 45.99 1yeo n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yeo n ALA 19 N 6.18 0.81 0.20 4.61 0.00 -1.26 -1.45 120.51 129.61 1yeo n ALA 19 Ca 0.00 0.11 0.10 0.00 0.00 0.00 0.00 53.44 53.65 1yeo n ALA 19 Cb 0.00 -0.96 0.16 0.00 0.00 0.00 0.00 19.45 18.65 1yeo n ALA 19 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1yeo h HIS 20 N 0.00 0.00 -0.61 0.00 3.86 -1.58 -3.40 115.15 113.42 1yeo h HIS 20 Ca 0.00 0.00 0.10 0.00 -1.16 0.00 0.00 60.37 59.31 1yeo h HIS 20 Cb 0.29 0.00 -0.10 0.00 1.06 0.00 0.00 27.41 28.66 1yeo h HIS 20 CO 0.00 0.11 -0.22 0.00 0.86 0.00 0.00 177.93 178.68 1yeo n ALA 21 N -2.13 -0.02 -0.01 2.45 0.00 -0.53 -0.10 120.51 120.17 1yeo n ALA 21 Ca 0.03 0.62 -0.09 0.00 0.00 0.00 0.00 53.44 54.01 1yeo n ALA 21 Cb 0.56 -0.30 -0.03 0.00 0.00 0.00 0.00 19.45 19.68 1yeo n ALA 21 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1yeo h GLY 22 N 0.00 0.05 1.40 0.00 0.00 -1.85 0.28 103.07 102.95 1yeo h GLY 22 Ca 0.23 0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.66 1yeo h GLY 22 CO -0.61 -0.10 0.40 0.83 0.00 0.00 0.00 176.54 177.06 1yeo h GLU 23 N -0.07 0.80 -0.31 4.80 5.08 -0.80 -1.91 114.58 122.18 1yeo h GLU 23 Ca 0.08 -0.05 -0.18 0.00 -1.00 0.00 0.00 59.36 58.21 1yeo h GLU 23 Cb 0.19 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 1yeo h GLU 23 CO -0.19 0.54 -0.51 1.88 -1.00 0.00 0.00 179.01 179.73 1yeo h TYR 24 N 0.82 1.09 -0.82 4.33 0.05 -0.15 -1.00 116.97 121.30 1yeo h TYR 24 Ca 0.22 -0.37 -0.03 0.00 0.05 0.00 0.00 58.73 58.60 1yeo h TYR 24 Cb -0.09 -0.21 -0.04 0.00 1.01 0.00 0.00 36.73 37.40 1yeo h TYR 24 CO 0.00 1.20 0.40 0.78 -1.05 0.00 0.00 178.16 179.49 1yeo h GLY 25 N 0.73 1.27 1.04 3.88 0.00 -0.14 -0.15 103.07 109.70 1yeo h GLY 25 Ca 0.02 -0.63 -0.15 0.00 0.00 0.00 0.00 47.33 46.58 1yeo h GLY 25 CO 0.12 0.60 -0.42 0.00 0.00 0.00 0.00 176.54 176.83 1yeo h ALA 26 N 1.21 0.42 -0.65 3.60 0.00 -1.22 -2.22 119.26 120.41 1yeo h ALA 26 Ca 0.28 -0.46 0.03 0.00 0.00 0.00 0.00 54.91 54.76 1yeo h ALA 26 Cb 0.11 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1yeo h ALA 26 CO -0.04 0.55 0.41 1.49 0.00 0.00 0.00 179.25 181.66 1yeo h GLU 27 N 0.53 0.78 -0.67 0.00 4.81 -0.89 -1.18 114.58 117.96 1yeo h GLU 27 Ca 0.03 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1yeo h GLU 27 Cb 1.02 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 30.19 1yeo h GLU 27 CO 0.10 0.52 0.42 0.00 -0.73 0.00 0.00 179.01 179.31 1yeo h ALA 28 N 1.28 0.85 -0.57 2.92 0.00 -0.83 0.13 119.26 123.04 1yeo h ALA 28 Ca 0.26 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1yeo h ALA 28 Cb 0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1yeo h ALA 28 CO -0.10 0.31 0.12 -0.07 0.00 0.00 0.00 179.25 179.50 1yeo h LEU 29 N 0.91 0.88 -0.75 0.00 3.38 -1.21 -0.33 115.31 118.18 1yeo h LEU 29 Ca 0.24 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1yeo h LEU 29 Cb -0.06 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 1yeo h LEU 29 CO -0.05 0.90 0.29 -0.08 0.09 0.00 0.00 178.44 179.59 1yeo h GLU 30 N 0.82 1.13 -0.89 1.13 4.81 -0.77 -0.83 114.58 119.99 1yeo h GLU 30 Ca 0.17 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1yeo h GLU 30 Cb 0.38 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.54 1yeo h GLU 30 CO 0.01 0.93 0.49 0.00 -0.73 0.00 0.00 179.01 179.71 1yeo h ARG 31 N 1.09 1.24 -0.39 1.92 3.08 -0.23 -2.25 114.38 118.83 1yeo h ARG 31 Ca 0.25 -0.14 -0.09 0.00 0.07 0.00 0.00 59.98 60.07 1yeo h ARG 31 Cb 0.23 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1yeo h ARG 31 CO -0.02 0.91 -0.10 1.98 -1.07 0.00 0.00 179.97 181.67 1yeo h MET 32 N 1.25 0.76 -0.67 0.04 4.05 -0.55 0.00 114.93 119.81 1yeo h MET 32 Ca 0.31 -0.29 -0.08 0.00 -0.28 0.00 0.00 59.70 59.36 1yeo h MET 32 Cb 0.02 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 30.75 1yeo h MET 32 CO -0.05 0.90 0.11 0.74 0.23 0.00 0.00 176.91 178.84 1yeo h PHE 33 N 0.57 1.18 0.17 1.39 0.04 -1.00 0.17 116.94 119.44 1yeo h PHE 33 Ca 0.10 -0.16 -0.29 0.00 2.80 0.00 0.00 57.97 60.41 1yeo h PHE 33 Cb 0.62 -0.32 0.02 0.00 2.20 0.00 0.00 35.95 38.46 1yeo h PHE 33 CO 0.05 0.98 -1.31 -0.07 -0.60 0.00 0.00 178.31 177.37 1yeo h LEU 34 N 1.03 0.58 -0.02 1.54 3.38 -1.34 -3.31 115.31 117.18 1yeo h LEU 34 Ca 0.20 -0.61 -0.22 0.00 0.09 0.00 0.00 57.88 57.34 1yeo h LEU 34 Cb 0.44 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1yeo h LEU 34 CO 0.01 1.47 -1.04 0.28 0.09 0.00 0.00 178.44 179.26 1yeo h SER 35 N 0.11 0.12 -2.43 -0.43 0.02 -0.87 -3.40 113.55 106.67 1yeo h SER 35 Ca -0.17 -0.12 -0.59 0.00 -0.84 0.00 0.00 61.79 60.06 1yeo h SER 35 Cb 2.02 -0.04 -0.39 0.00 0.14 0.00 0.00 62.40 64.13 1yeo h SER 35 CO 0.23 1.07 -0.89 0.49 -1.14 0.00 0.00 176.83 176.59 1yeo n PHE 36 N -3.43 0.41 0.13 3.45 3.72 0.57 -5.00 117.46 117.31 1yeo n PHE 36 Ca -0.02 -3.63 0.18 0.00 -0.05 0.00 0.00 57.45 53.92 1yeo n PHE 36 Cb 0.94 -0.10 0.76 0.00 -0.94 0.00 0.00 39.48 40.13 1yeo n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1yeo h PRO 37 N 5.16 0.00 0.00 -1.08 0.11 -1.74 -1.50 132.00 132.94 1yeo h PRO 37 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 1yeo h PRO 37 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1yeo h PRO 37 CO 0.50 0.00 0.00 1.79 -0.21 0.00 0.00 178.00 180.08 1yeo h THR 38 N 0.00 0.00 0.00 -1.15 1.35 -1.92 -1.42 112.91 109.78 1yeo h THR 38 Ca 0.14 -0.17 -0.02 0.00 -0.55 0.00 0.00 66.41 65.81 1yeo h THR 38 Cb 0.68 1.07 -0.00 0.00 -1.73 0.00 0.00 68.15 68.17 1yeo h THR 38 CO -0.00 0.00 -0.10 0.71 -0.25 0.00 0.00 175.52 175.88 1yeo h THR 39 N 0.00 0.33 0.00 6.82 1.35 -1.60 -2.58 112.91 117.24 1yeo h THR 39 Ca 0.00 -0.65 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 1yeo h THR 39 Cb 0.19 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 1yeo h THR 39 CO 0.00 0.10 0.00 0.11 -0.25 0.00 0.00 175.52 175.48 1yeo h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.46 -2.83 116.57 118.57 1yeo h LYS 40 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1yeo h LYS 40 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1yeo h LYS 40 CO 0.01 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.68 1yeo h THR 41 N 0.00 0.00 -0.01 -0.16 1.35 -1.65 -1.99 112.91 110.46 1yeo h THR 41 Ca 0.00 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 1yeo h THR 41 Cb 0.10 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 67.64 1yeo h THR 41 CO 0.00 0.00 -0.33 -1.22 -0.25 0.00 0.00 175.52 173.72 1yeo n TYR 42 N -2.92 0.00 -2.50 4.73 4.01 -1.07 -4.37 117.16 115.04 1yeo n TYR 42 Ca -0.01 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.50 1yeo n TYR 42 Cb 0.16 -0.14 0.01 0.00 -0.31 0.00 0.00 39.34 39.06 1yeo n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1yeo n PHE 43 N -0.79 2.89 0.25 -0.72 3.01 -0.75 -4.87 117.46 116.49 1yeo n PHE 43 Ca 0.11 -2.99 0.12 0.00 1.01 0.00 0.00 57.45 55.70 1yeo n PHE 43 Cb 0.35 -0.16 0.67 0.00 -0.01 0.00 0.00 39.48 40.33 1yeo n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1yeo h PRO 44 N 2.64 0.00 -0.20 -1.08 0.13 -1.76 -2.80 132.00 128.93 1yeo h PRO 44 Ca 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 1yeo h PRO 44 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1yeo h PRO 44 CO 0.76 0.15 0.00 -2.39 -0.23 0.00 0.00 178.00 176.29 1yeo n HIS 45 N -3.62 0.26 -4.06 1.56 1.44 -1.26 -4.90 115.22 104.64 1yeo n HIS 45 Ca -0.01 -0.13 -0.32 0.00 -2.01 0.00 0.00 57.72 55.25 1yeo n HIS 45 Cb 0.28 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.32 1yeo n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1yeo s PHE 46 N -1.74 3.28 -0.23 -1.40 0.40 -1.06 -5.07 117.98 112.16 1yeo s PHE 46 Ca 0.27 0.17 -0.29 0.00 -0.60 0.00 0.00 56.93 56.48 1yeo s PHE 46 Cb 0.14 -1.70 0.01 0.00 0.51 0.00 0.00 43.02 41.97 1yeo s PHE 46 CO 0.21 0.55 1.10 0.34 0.70 0.00 0.00 175.22 178.12 1yeo s ASP 47 N -2.02 7.03 -0.10 1.36 -1.08 -1.26 -4.90 116.67 115.71 1yeo s ASP 47 Ca 0.26 1.41 0.14 0.00 -0.52 0.00 0.00 52.55 53.83 1yeo s ASP 47 Cb -0.12 -2.54 0.42 0.00 -1.46 0.00 0.00 42.92 39.22 1yeo s ASP 47 CO 0.18 -0.73 1.34 0.18 0.52 0.00 0.00 175.17 176.66 1yeo n LEU 48 N 6.48 3.42 -4.64 -1.34 4.77 -1.26 -4.48 117.00 119.95 1yeo n LEU 48 Ca 0.12 -2.56 -0.30 0.00 -0.03 0.00 0.00 56.01 53.25 1yeo n LEU 48 Cb 0.46 -0.40 0.18 0.00 -2.33 0.00 0.00 43.42 41.33 1yeo n LEU 48 CO 0.54 0.70 0.63 -0.94 -1.33 0.00 0.00 177.39 176.98 1yeo s SER 49 N -1.52 2.58 0.38 -1.43 1.04 -1.26 -4.91 113.70 108.58 1yeo s SER 49 Ca 0.33 1.72 -0.28 0.00 0.48 0.00 0.00 55.95 58.21 1yeo s SER 49 Cb 0.24 -2.35 -0.10 0.00 0.10 0.00 0.00 66.02 63.91 1yeo s SER 49 CO 0.12 -3.24 1.42 -2.28 0.98 0.00 0.00 173.24 170.24 1yeo s HIS 50 N -2.70 2.69 -1.59 5.02 2.46 -1.26 -2.83 115.29 117.08 1yeo s HIS 50 Ca 0.66 1.26 0.00 0.00 0.47 0.00 0.00 55.06 57.45 1yeo s HIS 50 Cb -0.21 -3.90 0.00 0.00 -0.13 0.00 0.00 32.58 28.33 1yeo s HIS 50 CO 0.60 -2.65 0.00 0.41 -2.47 0.00 0.00 174.74 170.62 1yeo n GLY 51 N 0.57 1.49 3.73 1.59 0.00 -1.26 -4.96 105.19 106.35 1yeo n GLY 51 Ca 0.01 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 1yeo n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1yeo s SER 52 N -2.70 4.27 0.15 1.61 0.15 -1.13 -4.90 113.70 111.14 1yeo s SER 52 Ca 0.00 2.15 -0.09 0.00 0.70 0.00 0.00 55.95 58.71 1yeo s SER 52 Cb 0.00 -2.56 -0.02 0.00 -1.71 0.00 0.00 66.02 61.73 1yeo s SER 52 CO 0.00 -2.20 1.44 0.00 1.20 0.00 0.00 173.24 173.68 1yeo h ALA 53 N -0.61 0.54 -0.34 5.45 0.00 -1.92 -2.55 119.26 119.83 1yeo h ALA 53 Ca -0.46 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 53.91 1yeo h ALA 53 Cb 1.27 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1yeo h ALA 53 CO 0.50 0.69 0.13 1.96 0.00 0.00 0.00 179.25 182.52 1yeo h GLN 54 N 0.58 0.52 0.43 0.00 4.20 -1.93 0.11 115.11 119.01 1yeo h GLN 54 Ca 0.01 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 1yeo h GLN 54 Cb 1.14 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.82 1yeo h GLN 54 CO 0.12 0.52 -0.36 0.28 -0.67 0.00 0.00 178.83 178.71 1yeo h VAL 55 N 0.40 0.26 -0.32 -0.54 2.07 -1.78 0.88 116.25 117.22 1yeo h VAL 55 Ca 0.11 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.71 1yeo h VAL 55 Cb 0.20 0.26 -0.08 0.00 -1.52 0.00 0.00 31.29 30.15 1yeo h VAL 55 CO -0.01 0.00 -0.22 0.50 0.02 0.00 0.00 177.57 177.86 1yeo h LYS 56 N -0.79 -0.18 -0.68 1.57 3.64 -1.34 0.48 116.57 119.28 1yeo h LYS 56 Ca -0.04 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.31 1yeo h LYS 56 Cb 0.69 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.52 1yeo h LYS 56 CO -0.02 -0.12 0.24 0.78 -2.27 0.00 0.00 179.45 178.06 1yeo h GLY 57 N -0.18 1.11 1.35 5.01 0.00 -0.48 -1.96 103.07 107.93 1yeo h GLY 57 Ca 0.17 -0.63 -0.07 0.00 0.00 0.00 0.00 47.33 46.79 1yeo h GLY 57 CO -0.43 0.59 0.03 0.84 0.00 0.00 0.00 176.54 177.57 1yeo h HIS 58 N 0.97 0.84 -0.83 5.60 -0.00 0.18 -3.00 115.15 118.92 1yeo h HIS 58 Ca 0.22 -0.11 0.07 0.00 -0.00 0.00 0.00 60.37 60.55 1yeo h HIS 58 Cb 0.26 -0.23 -0.05 0.00 -0.00 0.00 0.00 27.41 27.38 1yeo h HIS 58 CO 0.02 0.76 0.54 0.78 -0.00 0.00 0.00 177.93 180.03 1yeo h GLY 59 N 0.97 1.15 1.40 5.26 0.00 0.72 0.09 103.07 112.67 1yeo h GLY 59 Ca 0.15 -0.36 -0.08 0.00 0.00 0.00 0.00 47.33 47.04 1yeo h GLY 59 CO 0.02 0.25 -0.08 1.70 0.00 0.00 0.00 176.54 178.42 1yeo h LYS 60 N 0.89 0.71 0.29 4.80 3.64 -1.37 -1.57 116.57 123.95 1yeo h LYS 60 Ca 0.36 -0.22 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1yeo h LYS 60 Cb 0.26 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1yeo h LYS 60 CO -0.13 0.79 -0.14 0.87 -2.27 0.00 0.00 179.45 178.57 1yeo h LYS 61 N 0.66 -0.37 -0.65 1.90 1.57 -0.91 -1.62 116.57 117.15 1yeo h LYS 61 Ca 0.12 0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.87 1yeo h LYS 61 Cb 0.53 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.90 1yeo h LYS 61 CO 0.03 -0.24 0.19 0.28 -0.57 0.00 0.00 179.45 179.15 1yeo h VAL 62 N -0.40 1.25 -0.44 0.50 2.07 -1.15 -2.26 116.25 115.82 1yeo h VAL 62 Ca -0.04 -0.88 -0.07 0.00 0.82 0.00 0.00 66.70 66.53 1yeo h VAL 62 Cb 0.30 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1yeo h VAL 62 CO 0.06 0.34 -0.02 0.00 0.02 0.00 0.00 177.57 177.97 1yeo h ALA 63 N 1.07 1.14 -0.28 1.67 0.00 -1.23 -1.62 119.26 120.01 1yeo h ALA 63 Ca 0.21 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 1yeo h ALA 63 Cb 0.31 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1yeo h ALA 63 CO -0.00 0.55 -0.32 -0.44 0.00 0.00 0.00 179.25 179.04 1yeo h ASP 64 N 0.69 0.62 -0.12 0.00 3.32 -1.10 -0.44 116.42 119.39 1yeo h ASP 64 Ca 0.13 -0.25 -0.08 0.00 0.02 0.00 0.00 57.03 56.86 1yeo h ASP 64 Cb 0.45 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 1yeo h ASP 64 CO 0.02 0.90 -0.15 0.00 -1.72 0.00 0.00 179.24 178.29 1yeo h ALA 65 N 1.14 1.21 -0.22 3.45 0.00 -0.82 0.20 119.26 124.22 1yeo h ALA 65 Ca 0.06 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 1yeo h ALA 65 Cb 0.81 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1yeo h ALA 65 CO 0.07 0.51 -0.31 -0.07 0.00 0.00 0.00 179.25 179.44 1yeo h LEU 66 N 0.45 0.65 -0.72 0.00 3.38 -1.12 -1.73 115.31 116.22 1yeo h LEU 66 Ca 0.08 -0.51 0.11 0.00 0.09 0.00 0.00 57.88 57.64 1yeo h LEU 66 Cb 0.53 -0.18 -0.08 0.00 0.09 0.00 0.00 40.66 41.02 1yeo h LEU 66 CO 0.03 1.04 0.34 0.74 0.09 0.00 0.00 178.44 180.67 1yeo h THR 67 N 0.28 0.79 -0.00 0.22 2.02 -0.74 0.11 112.91 115.58 1yeo h THR 67 Ca 0.02 -0.19 -0.09 0.00 0.77 0.00 0.00 66.41 66.93 1yeo h THR 67 Cb 0.89 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 1yeo h THR 67 CO 0.07 0.10 -0.42 -1.13 0.37 0.00 0.00 175.52 174.51 1yeo h ASN 68 N 0.55 0.01 -0.09 4.18 -1.24 -0.81 -2.16 115.58 116.03 1yeo h ASN 68 Ca 0.37 -0.00 -0.18 0.00 0.71 0.00 0.00 56.30 57.19 1yeo h ASN 68 Cb 0.44 -0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.49 1yeo h ASN 68 CO -0.31 0.43 -0.61 0.00 -1.29 0.00 0.00 177.43 175.65 1yeo h ALA 69 N 1.57 0.53 -0.11 1.57 0.00 -0.26 -2.09 119.26 120.47 1yeo h ALA 69 Ca -0.00 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 1yeo h ALA 69 Cb 0.75 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1yeo h ALA 69 CO 0.05 0.69 0.05 0.28 0.00 0.00 0.00 179.25 180.33 1yeo h VAL 70 N 0.52 1.13 -0.38 0.00 2.07 -0.80 0.16 116.25 118.95 1yeo h VAL 70 Ca -0.01 -0.38 0.06 0.00 0.82 0.00 0.00 66.70 67.19 1yeo h VAL 70 Cb 1.20 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 32.14 1yeo h VAL 70 CO 0.12 0.12 0.26 0.00 0.02 0.00 0.00 177.57 178.09 1yeo h ALA 71 N 0.91 2.00 -0.83 1.67 0.00 -1.33 -2.07 119.26 119.61 1yeo h ALA 71 Ca 0.04 -0.01 -0.59 0.00 0.00 0.00 0.00 54.91 54.35 1yeo h ALA 71 Cb 0.14 -0.06 -0.39 0.00 0.00 0.00 0.00 17.79 17.47 1yeo h ALA 71 CO -0.00 -0.08 -0.37 0.72 0.00 0.00 0.00 179.25 179.52 1yeo n HIS 72 N -4.48 2.89 -0.35 0.00 8.25 -0.79 -4.80 115.22 115.94 1yeo n HIS 72 Ca 0.05 -2.45 0.07 0.00 -0.26 0.00 0.00 57.72 55.13 1yeo n HIS 72 Cb 0.25 -0.63 0.25 0.00 1.12 0.00 0.00 29.99 30.98 1yeo n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1yeo h VAL 73 N 1.88 0.92 0.00 1.59 3.04 -0.22 -0.86 116.25 122.60 1yeo h VAL 73 Ca 0.43 -0.34 0.00 0.00 -1.01 0.00 0.00 66.70 65.78 1yeo h VAL 73 Cb 1.33 -0.15 0.00 0.00 -2.01 0.00 0.00 31.29 30.46 1yeo h VAL 73 CO 0.98 0.18 0.00 0.47 -1.01 0.00 0.00 177.57 178.19 1yeo n ASP 74 N -4.61 0.21 -2.60 3.17 8.00 -1.26 -3.68 116.55 115.77 1yeo n ASP 74 Ca 0.19 0.54 -0.03 0.00 0.71 0.00 0.00 54.79 56.19 1yeo n ASP 74 Cb 0.35 -0.59 0.05 0.00 -0.02 0.00 0.00 41.12 40.91 1yeo n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1yeo n ASP 75 N -1.72 2.03 -0.15 -2.24 2.03 -0.37 -4.97 116.55 111.16 1yeo n ASP 75 Ca 0.04 -2.30 -0.03 0.00 0.52 0.00 0.00 54.79 53.03 1yeo n ASP 75 Cb 0.24 -0.45 0.06 0.00 -0.72 0.00 0.00 41.12 40.25 1yeo n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1yeo h MET 76 N 2.42 0.18 -0.65 -0.67 2.86 -1.53 -2.03 114.93 115.50 1yeo h MET 76 Ca -0.07 -0.01 0.10 0.00 -2.06 0.00 0.00 59.70 57.66 1yeo h MET 76 Cb 1.35 -0.04 -0.08 0.00 0.06 0.00 0.00 31.60 32.89 1yeo h MET 76 CO 0.26 0.12 0.25 -1.35 1.06 0.00 0.00 176.91 177.25 1yeo h PRO 77 N 0.18 0.43 0.18 -0.22 0.11 -1.93 0.56 132.00 131.31 1yeo h PRO 77 Ca 0.24 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.32 1yeo h PRO 77 Cb 0.34 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.35 1yeo h PRO 77 CO -0.35 0.28 -0.08 -0.91 -0.21 0.00 0.00 178.00 176.73 1yeo h ASN 78 N 0.44 -0.20 -0.32 -2.05 4.21 -1.85 -2.25 115.58 113.56 1yeo h ASN 78 Ca 0.33 -0.18 -0.06 0.00 1.21 0.00 0.00 56.30 57.60 1yeo h ASN 78 Cb 0.42 0.05 -0.02 0.00 -1.12 0.00 0.00 38.32 37.65 1yeo h ASN 78 CO -0.32 0.07 0.01 0.00 -1.29 0.00 0.00 177.43 175.90 1yeo h ALA 79 N 0.30 1.24 -0.56 -0.83 0.00 -0.68 -2.79 119.26 115.94 1yeo h ALA 79 Ca -0.02 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1yeo h ALA 79 Cb 0.37 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1yeo h ALA 79 CO 0.04 0.51 0.00 1.28 0.00 0.00 0.00 179.25 181.08 1yeo n LEU 80 N -4.25 3.99 -0.32 0.00 4.77 0.19 -4.61 117.00 116.77 1yeo n LEU 80 Ca 0.02 -2.01 -0.04 0.00 -0.03 0.00 0.00 56.01 53.95 1yeo n LEU 80 Cb 0.27 -0.51 0.08 0.00 -2.33 0.00 0.00 43.42 40.93 1yeo n LEU 80 CO 0.40 0.72 1.17 0.77 -1.33 0.00 0.00 177.39 179.12 1yeo h SER 81 N 3.50 1.09 -0.59 -1.43 4.64 -1.11 -0.50 113.55 119.14 1yeo h SER 81 Ca 0.00 -0.09 -0.09 0.00 -0.47 0.00 0.00 61.79 61.14 1yeo h SER 81 Cb 1.20 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.99 1yeo h SER 81 CO 0.17 0.87 0.04 0.00 -0.87 0.00 0.00 176.83 177.03 1yeo h ALA 82 N 1.27 0.91 0.00 5.18 0.00 -1.83 -2.18 119.26 122.61 1yeo h ALA 82 Ca 0.31 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 1yeo h ALA 82 Cb 0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1yeo h ALA 82 CO -0.05 0.65 -0.61 -0.07 0.00 0.00 0.00 179.25 179.17 1yeo h LEU 83 N 0.96 0.00 -0.41 0.00 3.38 -1.71 -1.74 115.31 115.79 1yeo h LEU 83 Ca 0.18 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.06 1yeo h LEU 83 Cb 0.50 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1yeo h LEU 83 CO 0.02 0.61 -0.07 0.77 0.09 0.00 0.00 178.44 179.86 1yeo h SER 84 N 0.00 0.77 -0.50 -0.43 4.64 -0.86 -0.51 113.55 116.67 1yeo h SER 84 Ca -0.01 -0.35 -0.09 0.00 -0.47 0.00 0.00 61.79 60.87 1yeo h SER 84 Cb 1.11 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.97 1yeo h SER 84 CO 0.08 0.94 -0.04 0.44 -0.87 0.00 0.00 176.83 177.38 1yeo h ASP 85 N 0.59 0.93 -0.18 4.97 5.19 -1.23 -0.30 116.42 126.39 1yeo h ASP 85 Ca 0.11 -0.26 -0.01 0.00 -0.62 0.00 0.00 57.03 56.24 1yeo h ASP 85 Cb 0.59 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.84 1yeo h ASP 85 CO 0.03 1.00 0.07 0.25 -3.12 0.00 0.00 179.24 177.48 1yeo h LEU 86 N 0.86 0.26 -0.17 1.55 5.85 -1.12 -0.24 115.31 122.30 1yeo h LEU 86 Ca 0.15 -0.18 -0.20 0.00 0.84 0.00 0.00 57.88 58.48 1yeo h LEU 86 Cb 0.56 -0.07 0.01 0.00 0.37 0.00 0.00 40.66 41.53 1yeo h LEU 86 CO 0.03 0.37 -0.70 0.45 -0.34 0.00 0.00 178.44 178.26 1yeo h HIS 87 N 0.13 1.02 0.05 1.25 3.86 -0.97 0.29 115.15 120.78 1yeo h HIS 87 Ca 0.06 -0.44 -0.28 0.00 -1.16 0.00 0.00 60.37 58.56 1yeo h HIS 87 Cb 0.20 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.48 1yeo h HIS 87 CO -0.01 1.26 -1.46 0.00 0.86 0.00 0.00 177.93 178.59 1yeo h ALA 88 N 0.56 0.46 0.00 2.45 0.00 -1.10 0.90 119.26 122.53 1yeo h ALA 88 Ca -0.04 -1.18 -0.16 0.00 0.00 0.00 0.00 54.91 53.53 1yeo h ALA 88 Cb 1.32 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 19.33 1yeo h ALA 88 CO 0.15 1.32 -1.61 0.72 0.00 0.00 0.00 179.25 179.83 1yeo n HIS 89 N -3.29 0.00 -0.07 0.00 8.25 -0.12 -4.24 115.22 115.75 1yeo n HIS 89 Ca -0.13 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.29 1yeo n HIS 89 Cb 1.02 -0.42 -0.01 0.00 1.12 0.00 0.00 29.99 31.69 1yeo n HIS 89 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1yeo h LYS 90 N 0.00 0.00 -0.09 -0.41 3.64 -1.21 -3.41 116.57 115.09 1yeo h LYS 90 Ca -0.24 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 58.94 1yeo h LYS 90 Cb 1.43 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.25 1yeo h LYS 90 CO -0.02 0.00 -0.78 -0.07 -2.27 0.00 0.00 179.45 176.31 1yeo h LEU 91 N -0.97 0.63 -2.41 5.20 3.38 -0.59 -3.49 115.31 117.07 1yeo h LEU 91 Ca 0.00 -0.43 -0.33 0.00 0.09 0.00 0.00 57.88 57.21 1yeo h LEU 91 Cb 0.48 -0.19 0.15 0.00 0.09 0.00 0.00 40.66 41.18 1yeo h LEU 91 CO 0.00 1.19 -0.86 0.54 0.09 0.00 0.00 178.44 179.40 1yeo n ARG 92 N -3.86 -3.03 -2.69 1.13 3.00 0.23 -4.93 116.66 106.51 1yeo n ARG 92 Ca -0.06 0.73 -0.43 0.00 -0.01 0.00 0.00 57.85 58.09 1yeo n ARG 92 Cb 0.74 -5.33 -0.02 0.00 0.00 0.00 0.00 32.46 27.85 1yeo n ARG 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1yeo s VAL 93 N -3.45 4.74 0.21 1.55 1.01 -0.69 -4.99 120.40 118.79 1yeo s VAL 93 Ca 0.33 2.01 -0.32 0.00 0.00 0.00 0.00 61.98 64.00 1yeo s VAL 93 Cb -0.07 -4.30 -0.11 0.00 0.00 0.00 0.00 36.38 31.90 1yeo s VAL 93 CO 0.78 -0.08 1.66 -0.62 0.00 0.00 0.00 175.10 176.84 1yeo s ASP 94 N 1.15 6.43 0.56 3.32 -1.08 -1.26 -4.87 116.67 120.91 1yeo s ASP 94 Ca 0.46 2.82 0.36 0.00 -0.52 0.00 0.00 52.55 55.67 1yeo s ASP 94 Cb -0.17 -2.60 1.51 0.00 -1.46 0.00 0.00 42.92 40.19 1yeo s ASP 94 CO 0.12 -0.92 1.75 -0.65 0.52 0.00 0.00 175.17 175.98 1yeo h PRO 95 N 6.43 0.00 -0.73 4.34 0.11 -1.96 -1.55 132.00 138.64 1yeo h PRO 95 Ca -0.44 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.79 1yeo h PRO 95 Cb 1.20 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.27 1yeo h PRO 95 CO 0.92 0.00 0.48 0.28 -0.21 0.00 0.00 178.00 179.47 1yeo h VAL 96 N 0.00 0.88 0.00 3.15 2.07 -2.03 -1.49 116.25 118.83 1yeo h VAL 96 Ca 0.55 -0.18 -0.05 0.00 0.82 0.00 0.00 66.70 67.84 1yeo h VAL 96 Cb 2.35 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 32.40 1yeo h VAL 96 CO -0.01 0.10 -0.22 0.78 0.02 0.00 0.00 177.57 178.24 1yeo h ASN 97 N 0.54 0.00 -0.55 0.57 4.21 -1.65 -2.41 115.58 116.29 1yeo h ASN 97 Ca 0.35 0.00 -0.06 0.00 1.21 0.00 0.00 56.30 57.80 1yeo h ASN 97 Cb 0.61 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.79 1yeo h ASN 97 CO -0.12 0.22 0.14 -0.26 -1.29 0.00 0.00 177.43 176.12 1yeo h PHE 98 N 0.00 0.97 -0.08 1.19 -1.00 -1.44 -2.07 116.94 114.50 1yeo h PHE 98 Ca -0.00 -0.10 -0.07 0.00 2.81 0.00 0.00 57.97 60.60 1yeo h PHE 98 Cb 0.57 -0.28 -0.01 0.00 3.61 0.00 0.00 35.95 39.84 1yeo h PHE 98 CO 0.00 0.81 -0.29 0.87 -1.61 0.00 0.00 178.31 178.08 1yeo h LYS 99 N 0.89 0.14 -0.14 1.51 1.57 -1.53 -0.99 116.57 118.03 1yeo h LYS 99 Ca 0.19 -0.05 -0.21 0.00 -1.87 0.00 0.00 60.65 58.71 1yeo h LYS 99 Cb 0.33 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1yeo h LYS 99 CO 0.00 0.43 -0.74 -0.07 -0.57 0.00 0.00 179.45 178.50 1yeo h LEU 100 N 0.13 0.79 -0.11 2.94 3.38 -1.40 -1.96 115.31 119.08 1yeo h LEU 100 Ca 0.02 -0.51 -0.20 0.00 0.09 0.00 0.00 57.88 57.28 1yeo h LEU 100 Cb 0.59 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 41.12 1yeo h LEU 100 CO 0.04 1.29 -0.70 0.25 0.09 0.00 0.00 178.44 179.41 1yeo h LEU 101 N 0.46 0.80 -0.39 1.67 5.85 -1.20 -2.44 115.31 120.06 1yeo h LEU 101 Ca -0.04 -0.65 0.07 0.00 0.84 0.00 0.00 57.88 58.10 1yeo h LEU 101 Cb 1.35 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 42.08 1yeo h LEU 101 CO 0.15 1.33 -0.01 0.28 -0.34 0.00 0.00 178.44 179.85 1yeo h SER 102 N 0.34 -0.18 -0.44 1.25 0.02 -1.21 -0.80 113.55 112.52 1yeo h SER 102 Ca -0.06 0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1yeo h SER 102 Cb 1.34 0.17 -0.02 0.00 0.14 0.00 0.00 62.40 64.03 1yeo h SER 102 CO 0.14 -0.05 0.27 -0.74 -1.14 0.00 0.00 176.83 175.32 1yeo h HIS 103 N 0.10 0.58 -0.12 3.45 -0.00 -1.33 -0.71 115.15 117.11 1yeo h HIS 103 Ca 0.19 0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.52 1yeo h HIS 103 Cb 0.28 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 27.48 1yeo h HIS 103 CO -0.27 0.40 -0.13 0.00 -0.00 0.00 0.00 177.93 177.92 1yeo h LEU 105 N 0.18 0.71 -0.49 0.00 5.85 -0.84 -1.50 115.31 119.22 1yeo h LEU 105 Ca 0.04 -0.50 0.03 0.00 0.84 0.00 0.00 57.88 58.28 1yeo h LEU 105 Cb 0.35 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 1yeo h LEU 105 CO 0.02 1.07 0.29 -0.07 -0.34 0.00 0.00 178.44 179.41 1yeo h LEU 106 N 0.37 0.46 -0.75 2.25 3.38 -0.53 0.81 115.31 121.30 1yeo h LEU 106 Ca 0.03 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1yeo h LEU 106 Cb 0.91 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.53 1yeo h LEU 106 CO 0.08 0.32 0.48 0.58 0.09 0.00 0.00 178.44 179.99 1yeo h VAL 107 N 0.57 1.20 0.14 1.22 2.07 -1.13 0.19 116.25 120.51 1yeo h VAL 107 Ca 0.20 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1yeo h VAL 107 Cb 0.03 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 29.92 1yeo h VAL 107 CO -0.10 0.20 -0.07 0.74 0.02 0.00 0.00 177.57 178.37 1yeo h THR 108 N 1.02 0.89 -0.84 2.57 2.02 -0.67 -0.34 112.91 117.57 1yeo h THR 108 Ca 0.27 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.32 1yeo h THR 108 Cb -0.08 0.98 -0.04 0.00 -1.74 0.00 0.00 68.15 67.26 1yeo h THR 108 CO -0.06 0.03 0.53 -0.07 0.37 0.00 0.00 175.52 176.32 1yeo h LEU 109 N -0.25 0.99 -1.14 2.58 3.38 -0.51 -1.93 115.31 118.43 1yeo h LEU 109 Ca -0.02 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1yeo h LEU 109 Cb 0.20 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1yeo h LEU 109 CO 0.03 0.74 0.18 0.00 0.09 0.00 0.00 178.44 179.48 1yeo h ALA 110 N 1.43 1.32 0.00 1.53 0.00 -0.31 -0.13 119.26 123.10 1yeo h ALA 110 Ca 0.30 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1yeo h ALA 110 Cb -0.08 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1yeo h ALA 110 CO -0.06 0.50 -0.29 0.00 0.00 0.00 0.00 179.25 179.39 1yeo h ALA 111 N 1.43 0.83 0.00 0.00 0.00 -0.33 -3.34 119.26 117.85 1yeo h ALA 111 Ca 0.18 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1yeo h ALA 111 Cb 0.21 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1yeo h ALA 111 CO -0.01 0.28 -1.70 0.72 0.00 0.00 0.00 179.25 178.54 1yeo n HIS 112 N -3.12 0.00 -3.18 0.00 8.25 -0.84 -4.73 115.22 111.59 1yeo n HIS 112 Ca 0.03 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.22 1yeo n HIS 112 Cb 0.62 -0.37 -0.06 0.00 1.12 0.00 0.00 29.99 31.30 1yeo n HIS 112 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1yeo n LEU 113 N -2.06 4.04 -0.04 2.41 4.77 -0.08 -4.94 117.00 121.09 1yeo n LEU 113 Ca -0.05 -5.55 -0.09 0.00 -0.03 0.00 0.00 56.01 50.29 1yeo n LEU 113 Cb 0.45 -0.58 -0.03 0.00 -2.33 0.00 0.00 43.42 40.93 1yeo n LEU 113 CO 0.31 2.21 0.67 -0.65 -1.33 0.00 0.00 177.39 178.59 1yeo h PRO 114 N 3.58 -0.29 -0.95 3.23 0.11 -1.81 -2.00 132.00 133.87 1yeo h PRO 114 Ca 0.16 0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.29 1yeo h PRO 114 Cb 0.59 0.07 -0.05 0.00 0.11 0.00 0.00 31.00 31.72 1yeo h PRO 114 CO 0.82 -0.19 0.59 0.00 -0.21 0.00 0.00 178.00 179.01 1yeo h ALA 115 N 0.66 1.25 0.00 -0.75 0.00 -1.94 -3.10 119.26 115.38 1yeo h ALA 115 Ca 0.13 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1yeo h ALA 115 Cb 0.50 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1yeo h ALA 115 CO -0.40 0.66 -0.58 0.93 0.00 0.00 0.00 179.25 179.87 1yeo h GLU 116 N 1.31 0.00 -3.87 0.00 3.07 -1.87 -3.40 114.58 109.81 1yeo h GLU 116 Ca 0.34 0.00 -0.72 0.00 -0.50 0.00 0.00 59.36 58.48 1yeo h GLU 116 Cb -0.08 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 27.75 1yeo h GLU 116 CO -0.07 0.15 2.78 0.34 -1.40 0.00 0.00 179.01 180.81 1yeo n PHE 117 N -2.98 3.37 -2.38 4.33 7.35 -0.79 -4.78 117.46 121.58 1yeo n PHE 117 Ca 0.01 -2.92 -0.26 0.00 -0.76 0.00 0.00 57.45 53.51 1yeo n PHE 117 Cb 0.62 -2.37 0.03 0.00 0.35 0.00 0.00 39.48 38.11 1yeo n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1yeo s THR 118 N 2.34 3.53 0.35 -2.13 -4.23 -1.26 -4.82 115.64 109.41 1yeo s THR 118 Ca 0.45 -0.03 0.09 0.00 -1.18 0.00 0.00 61.69 61.02 1yeo s THR 118 Cb 0.12 -3.41 0.32 0.00 1.34 0.00 0.00 72.50 70.88 1yeo s THR 118 CO -0.06 -0.42 1.85 -0.65 -0.54 0.00 0.00 174.62 174.80 1yeo h PRO 119 N -0.21 0.68 -0.07 3.99 0.11 -1.98 0.24 132.00 134.75 1yeo h PRO 119 Ca -0.45 -0.04 -0.19 0.00 0.11 0.00 0.00 66.00 65.43 1yeo h PRO 119 Cb 1.26 -0.15 0.01 0.00 0.11 0.00 0.00 31.00 32.23 1yeo h PRO 119 CO 0.60 0.45 -0.69 0.00 -0.21 0.00 0.00 178.00 178.16 1yeo h ALA 120 N 1.60 0.18 -0.35 -0.75 0.00 -1.96 -2.32 119.26 115.67 1yeo h ALA 120 Ca 0.48 -0.58 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 1yeo h ALA 120 Cb 0.79 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1yeo h ALA 120 CO -0.24 0.50 -0.22 0.28 0.00 0.00 0.00 179.25 179.57 1yeo h VAL 121 N 0.22 1.27 -0.14 0.00 2.07 -1.76 -1.73 116.25 116.17 1yeo h VAL 121 Ca -0.07 -1.30 0.02 0.00 0.82 0.00 0.00 66.70 66.17 1yeo h VAL 121 Cb 1.35 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 32.34 1yeo h VAL 121 CO 0.14 0.43 -0.01 -0.74 0.02 0.00 0.00 177.57 177.41 1yeo h HIS 122 N 0.60 -0.02 -0.80 1.57 6.17 -0.52 0.16 115.15 122.30 1yeo h HIS 122 Ca 0.09 0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.17 1yeo h HIS 122 Cb 0.70 0.03 -0.04 0.00 2.52 0.00 0.00 27.41 30.63 1yeo h HIS 122 CO 0.03 -0.03 0.47 0.00 0.71 0.00 0.00 177.93 179.11 1yeo h ALA 123 N 1.13 1.02 -0.33 5.26 0.00 -1.23 -1.51 119.26 123.60 1yeo h ALA 123 Ca 0.07 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1yeo h ALA 123 Cb 0.09 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1yeo h ALA 123 CO -0.12 0.50 -0.10 0.77 0.00 0.00 0.00 179.25 180.30 1yeo h SER 124 N 1.10 0.67 -0.91 0.00 0.02 -0.77 -1.65 113.55 112.02 1yeo h SER 124 Ca 0.29 -0.38 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 1yeo h SER 124 Cb -0.02 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.30 1yeo h SER 124 CO -0.05 0.89 0.51 -0.07 -1.14 0.00 0.00 176.83 176.97 1yeo h LEU 125 N 0.44 1.12 -0.32 5.07 3.38 -0.49 -0.40 115.31 124.11 1yeo h LEU 125 Ca 0.08 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1yeo h LEU 125 Cb 0.61 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1yeo h LEU 125 CO 0.04 0.88 0.11 -0.78 0.09 0.00 0.00 178.44 178.78 1yeo h ASP 126 N 1.26 0.45 0.15 -0.43 3.58 -1.09 0.40 116.42 120.74 1yeo h ASP 126 Ca 0.32 -0.19 -0.06 0.00 0.42 0.00 0.00 57.03 57.52 1yeo h ASP 126 Cb 0.00 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 40.92 1yeo h ASP 126 CO -0.05 0.52 -0.21 0.11 -2.88 0.00 0.00 179.24 176.73 1yeo h LYS 127 N 0.36 0.13 -0.09 0.28 1.57 -1.14 -1.34 116.57 116.33 1yeo h LYS 127 Ca 0.10 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1yeo h LYS 127 Cb 0.23 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 1yeo h LYS 127 CO -0.01 0.34 -0.04 0.35 -0.57 0.00 0.00 179.45 179.52 1yeo h PHE 128 N 0.12 0.21 -0.14 -1.35 3.57 -0.38 -1.73 116.94 117.24 1yeo h PHE 128 Ca 0.02 -0.05 -0.09 0.00 3.53 0.00 0.00 57.97 61.38 1yeo h PHE 128 Cb 0.44 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 1yeo h PHE 128 CO 0.00 0.55 -0.31 -0.07 -2.23 0.00 0.00 178.31 176.25 1yeo h LEU 129 N -0.18 0.26 -0.81 0.59 3.38 -0.74 -1.67 115.31 116.14 1yeo h LEU 129 Ca 0.02 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 1yeo h LEU 129 Cb 0.49 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1yeo h LEU 129 CO 0.01 0.57 -0.02 0.00 0.09 0.00 0.00 178.44 179.09 1yeo h ALA 130 N 1.45 1.00 -0.40 1.53 0.00 -1.22 0.18 119.26 121.81 1yeo h ALA 130 Ca 0.03 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 1yeo h ALA 130 Cb 0.66 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1yeo h ALA 130 CO 0.05 0.61 -0.03 0.77 0.00 0.00 0.00 179.25 180.65 1yeo h SER 131 N 0.81 0.72 -0.46 0.00 0.02 -0.76 -0.95 113.55 112.93 1yeo h SER 131 Ca 0.15 -0.33 0.02 0.00 -0.84 0.00 0.00 61.79 60.80 1yeo h SER 131 Cb 0.51 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.82 1yeo h SER 131 CO 0.03 0.87 0.27 0.58 -1.14 0.00 0.00 176.83 177.44 1yeo h VAL 132 N 0.55 1.03 -0.70 2.27 2.07 -1.07 -1.63 116.25 118.76 1yeo h VAL 132 Ca 0.11 -0.18 0.01 0.00 0.82 0.00 0.00 66.70 67.46 1yeo h VAL 132 Cb 0.52 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 1yeo h VAL 132 CO 0.03 0.10 0.46 0.28 0.02 0.00 0.00 177.57 178.45 1yeo h SER 133 N 0.54 0.78 -0.24 0.57 0.02 -0.79 0.67 113.55 115.10 1yeo h SER 133 Ca 0.19 -0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.15 1yeo h SER 133 Cb 0.03 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.35 1yeo h SER 133 CO -0.09 0.56 0.04 0.74 -1.14 0.00 0.00 176.83 176.94 1yeo h THR 134 N 0.92 0.89 -0.61 -2.27 2.02 -0.68 -1.05 112.91 112.13 1yeo h THR 134 Ca 0.26 -0.05 -0.06 0.00 0.77 0.00 0.00 66.41 67.34 1yeo h THR 134 Cb -0.08 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 1yeo h THR 134 CO -0.07 0.02 0.14 0.58 0.37 0.00 0.00 175.52 176.56 1yeo h VAL 135 N 0.13 1.24 0.00 3.16 2.07 -1.01 0.08 116.25 121.93 1yeo h VAL 135 Ca 0.11 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.73 1yeo h VAL 135 Cb 0.11 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1yeo h VAL 135 CO -0.15 0.34 0.00 -0.07 0.02 0.00 0.00 177.57 177.71 1yeo h LEU 136 N 0.91 0.00 -2.35 2.57 3.38 -0.25 -3.24 115.31 116.33 1yeo h LEU 136 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1yeo h LEU 136 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1yeo h LEU 136 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.88 1yeo n THR 137 N -2.43 0.68 -0.26 0.22 -2.24 -0.46 -3.89 114.28 105.90 1yeo n THR 137 Ca 0.03 -0.83 0.17 0.00 -2.27 0.00 0.00 64.05 61.15 1yeo n THR 137 Cb 0.33 0.67 0.46 0.00 -2.10 0.00 0.00 70.33 69.68 1yeo n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1yeo h SER 138 N 0.00 0.51 -0.02 3.42 4.64 -1.01 -1.12 113.55 119.97 1yeo h SER 138 Ca 0.00 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1yeo h SER 138 Cb 0.35 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1yeo h SER 138 CO 0.00 0.21 -0.02 0.29 -0.87 0.00 0.00 176.83 176.44 1yeo n LYS 139 N -4.56 2.12 -1.73 4.77 5.02 -1.26 -5.00 118.16 117.53 1yeo n LYS 139 Ca 0.20 -1.66 -0.42 0.00 -2.02 0.00 0.00 58.31 54.40 1yeo n LYS 139 Cb 0.64 -1.47 -0.01 0.00 -0.02 0.00 0.00 35.03 34.17 1yeo n LYS 139 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1yeo n TYR 140 N 1.01 2.62 -0.78 2.13 9.36 -0.42 -4.94 117.16 126.14 1yeo n TYR 140 Ca 0.15 0.42 0.00 0.00 3.32 0.00 0.00 57.90 61.79 1yeo n TYR 140 Cb 0.54 -2.51 0.00 0.00 -0.63 0.00 0.00 39.34 36.74 1yeo n TYR 140 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62