#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o1o s LEU 2 N 0.00 5.21 0.86 -0.89 1.43 -1.26 -5.06 118.68 118.97 1o1o s LEU 2 Ca 0.00 -1.04 -0.11 0.00 -1.03 0.00 0.00 54.13 51.95 1o1o s LEU 2 Cb 0.00 -2.33 0.11 0.00 0.03 0.00 0.00 46.19 44.00 1o1o s LEU 2 CO 0.00 -0.75 1.10 -0.94 0.23 0.00 0.00 176.35 175.99 1o1o s SER 3 N 2.52 3.69 0.36 2.29 1.04 -1.26 -4.75 113.70 117.60 1o1o s SER 3 Ca 0.10 1.74 0.08 0.00 0.48 0.00 0.00 55.95 58.35 1o1o s SER 3 Cb -0.21 -2.39 0.80 0.00 0.10 0.00 0.00 66.02 64.33 1o1o s SER 3 CO 0.10 -2.54 1.91 -0.65 0.98 0.00 0.00 173.24 173.04 1o1o h PRO 4 N -1.48 0.68 -0.35 4.02 0.11 -1.99 0.12 132.00 133.11 1o1o h PRO 4 Ca -0.47 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.48 1o1o h PRO 4 Cb 1.26 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1o1o h PRO 4 CO 0.51 0.45 -0.28 0.00 -0.21 0.00 0.00 178.00 178.47 1o1o h ALA 5 N 1.60 0.85 -0.18 -0.75 0.00 -1.99 -1.50 119.26 117.28 1o1o h ALA 5 Ca 0.39 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1o1o h ALA 5 Cb 0.54 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1o1o h ALA 5 CO -0.15 0.64 0.09 -0.44 0.00 0.00 0.00 179.25 179.38 1o1o h ASP 6 N 0.63 0.24 -0.79 0.00 3.32 -1.43 -0.67 116.42 117.71 1o1o h ASP 6 Ca 0.08 -0.12 0.08 0.00 0.02 0.00 0.00 57.03 57.08 1o1o h ASP 6 Cb 0.80 -0.06 -0.06 0.00 0.22 0.00 0.00 39.33 40.22 1o1o h ASP 6 CO 0.07 0.29 0.46 0.11 -1.72 0.00 0.00 179.24 178.45 1o1o h LYS 7 N 0.17 0.79 -0.62 3.56 1.57 -0.90 0.05 116.57 121.20 1o1o h LYS 7 Ca 0.06 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 1o1o h LYS 7 Cb 0.11 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 1o1o h LYS 7 CO -0.01 0.52 0.19 1.15 -0.57 0.00 0.00 179.45 180.73 1o1o h THR 8 N 0.81 1.25 -0.30 -0.16 2.02 -1.00 -2.30 112.91 113.23 1o1o h THR 8 Ca 0.36 -0.85 -0.00 0.00 0.77 0.00 0.00 66.41 66.69 1o1o h THR 8 Cb 0.26 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 1o1o h THR 8 CO -0.21 0.32 0.18 0.78 0.37 0.00 0.00 175.52 176.97 1o1o h ASN 9 N 0.89 0.36 -0.12 4.18 2.35 -0.19 -0.93 115.58 122.13 1o1o h ASN 9 Ca 0.20 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.89 1o1o h ASN 9 Cb 0.30 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.57 1o1o h ASN 9 CO -0.01 0.30 0.03 0.58 -1.65 0.00 0.00 177.43 176.69 1o1o h VAL 10 N 0.39 1.19 -0.90 2.81 2.07 -0.95 -0.50 116.25 120.35 1o1o h VAL 10 Ca 0.11 -0.57 0.05 0.00 0.82 0.00 0.00 66.70 67.10 1o1o h VAL 10 Cb 0.01 1.35 -0.06 0.00 -1.52 0.00 0.00 31.29 31.07 1o1o h VAL 10 CO -0.02 0.17 0.58 0.11 0.02 0.00 0.00 177.57 178.42 1o1o h LYS 11 N -0.01 1.06 -0.08 1.57 1.57 -1.35 0.13 116.57 119.46 1o1o h LYS 11 Ca 0.04 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1o1o h LYS 11 Cb 0.23 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 1o1o h LYS 11 CO -0.00 0.70 0.04 0.00 -0.57 0.00 0.00 179.45 179.62 1o1o h ALA 12 N 1.39 0.10 -0.41 3.86 0.00 -0.82 0.14 119.26 123.52 1o1o h ALA 12 Ca 0.37 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1o1o h ALA 12 Cb 0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1o1o h ALA 12 CO -0.14 -0.34 0.20 0.00 0.00 0.00 0.00 179.25 178.97 1o1o h ALA 13 N 0.92 0.53 -0.07 0.00 0.00 -0.73 -2.10 119.26 117.81 1o1o h ALA 13 Ca 0.03 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 1o1o h ALA 13 Cb 0.11 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1o1o h ALA 13 CO -0.00 0.09 -0.63 2.35 0.00 0.00 0.00 179.25 181.05 1o1o h TRP 14 N 0.52 0.33 -0.56 0.00 2.91 -0.68 -2.18 115.95 116.30 1o1o h TRP 14 Ca 0.14 -0.13 0.08 0.00 1.13 0.00 0.00 58.89 60.11 1o1o h TRP 14 Cb 0.11 -0.06 -0.06 0.00 -0.51 0.00 0.00 29.16 28.64 1o1o h TRP 14 CO -0.01 0.82 0.21 0.78 -1.03 0.00 0.00 178.44 179.20 1o1o h GLY 15 N 1.48 0.77 1.45 2.65 0.00 -0.60 -1.77 103.07 107.06 1o1o h GLY 15 Ca -0.01 -0.12 0.01 0.00 0.00 0.00 0.00 47.33 47.22 1o1o h GLY 15 CO 0.10 0.00 0.35 0.50 0.00 0.00 0.00 176.54 177.49 1o1o h LYS 16 N 0.40 0.68 -0.00 4.80 6.56 -0.80 -2.80 116.57 125.40 1o1o h LYS 16 Ca 0.28 -0.04 -0.00 0.00 -1.06 0.00 0.00 60.65 59.82 1o1o h LYS 16 Cb 0.31 -0.15 -0.00 0.00 -0.57 0.00 0.00 32.23 31.82 1o1o h LYS 16 CO -0.27 0.45 0.00 0.28 -2.06 0.00 0.00 179.45 177.85 1o1o h VAL 17 N 0.70 1.14 0.00 0.50 2.07 -0.75 -3.46 116.25 116.45 1o1o h VAL 17 Ca 0.20 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1o1o h VAL 17 Cb -0.04 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1o1o h VAL 17 CO -0.05 0.11 0.00 0.61 0.02 0.00 0.00 177.57 178.26 1o1o n GLY 18 N -0.60 3.66 0.09 2.17 0.00 -0.89 -1.72 105.19 107.89 1o1o n GLY 18 Ca -0.08 -0.06 0.10 0.00 0.00 0.00 0.00 46.02 45.98 1o1o n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1o1o n ALA 19 N 11.90 1.70 1.37 4.61 0.00 -1.26 -2.54 120.51 136.28 1o1o n ALA 19 Ca 0.00 0.04 0.15 0.00 0.00 0.00 0.00 53.44 53.62 1o1o n ALA 19 Cb 0.00 -1.34 0.73 0.00 0.00 0.00 0.00 19.45 18.83 1o1o n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1o1o n HIS 20 N -1.99 0.00 -0.27 0.00 8.25 -0.70 -4.34 115.22 116.16 1o1o n HIS 20 Ca 0.03 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.57 1o1o n HIS 20 Cb 0.22 -0.31 0.23 0.00 1.12 0.00 0.00 29.99 31.25 1o1o n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1o1o h ALA 21 N 3.38 1.13 -0.16 -1.41 0.00 -1.63 -1.40 119.26 119.17 1o1o h ALA 21 Ca 0.00 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1o1o h ALA 21 Cb 0.32 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1o1o h ALA 21 CO 0.00 -0.35 0.02 0.78 0.00 0.00 0.00 179.25 179.70 1o1o h GLY 22 N 0.30 0.29 0.11 0.00 0.00 -1.84 -0.48 103.07 101.45 1o1o h GLY 22 Ca 0.47 -0.20 0.11 0.00 0.00 0.00 0.00 47.33 47.71 1o1o h GLY 22 CO -0.54 0.19 0.04 -2.09 0.00 0.00 0.00 176.54 174.14 1o1o h GLU 23 N 0.04 0.15 -0.10 4.80 4.81 -1.65 -1.57 114.58 121.06 1o1o h GLU 23 Ca 0.05 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.16 1o1o h GLU 23 Cb 0.33 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 1o1o h GLU 23 CO 0.01 0.10 -0.41 1.88 -0.73 0.00 0.00 179.01 179.86 1o1o h TYR 24 N 0.16 0.26 -0.58 0.92 0.05 -1.17 -0.59 116.97 116.01 1o1o h TYR 24 Ca 0.29 -0.07 -0.07 0.00 0.05 0.00 0.00 58.73 58.94 1o1o h TYR 24 Cb 0.45 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 38.11 1o1o h TYR 24 CO -0.31 0.60 0.10 0.78 -1.05 0.00 0.00 178.16 178.28 1o1o h GLY 25 N 1.21 1.03 1.01 3.88 0.00 -0.36 -0.31 103.07 109.53 1o1o h GLY 25 Ca 0.02 -0.68 -0.08 0.00 0.00 0.00 0.00 47.33 46.59 1o1o h GLY 25 CO 0.06 0.63 0.01 0.00 0.00 0.00 0.00 176.54 177.25 1o1o h ALA 26 N 1.01 0.68 -0.79 3.60 0.00 -1.04 -2.13 119.26 120.58 1o1o h ALA 26 Ca 0.18 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1o1o h ALA 26 Cb 0.41 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1o1o h ALA 26 CO 0.01 0.48 0.35 1.49 0.00 0.00 0.00 179.25 181.58 1o1o h GLU 27 N 0.75 1.16 -0.86 0.00 4.81 -0.93 -1.61 114.58 117.91 1o1o h GLU 27 Ca 0.14 -0.18 0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1o1o h GLU 27 Cb 0.50 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 29.64 1o1o h GLU 27 CO 0.02 0.91 0.56 0.00 -0.73 0.00 0.00 179.01 179.78 1o1o h ALA 28 N 1.24 1.08 -0.47 2.92 0.00 -0.80 -0.43 119.26 122.81 1o1o h ALA 28 Ca 0.27 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1o1o h ALA 28 Cb 0.16 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1o1o h ALA 28 CO -0.03 0.50 0.11 -0.07 0.00 0.00 0.00 179.25 179.76 1o1o h LEU 29 N 1.16 0.72 -0.63 0.00 3.38 -1.04 -1.21 115.31 117.70 1o1o h LEU 29 Ca 0.31 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1o1o h LEU 29 Cb -0.12 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.41 1o1o h LEU 29 CO -0.07 0.77 0.30 -0.08 0.09 0.00 0.00 178.44 179.45 1o1o h GLU 30 N 0.64 0.90 -0.98 1.13 4.81 -0.91 0.13 114.58 120.30 1o1o h GLU 30 Ca 0.15 -0.13 0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1o1o h GLU 30 Cb 0.33 -0.16 -0.05 0.00 0.63 0.00 0.00 28.75 29.50 1o1o h GLU 30 CO 0.00 0.72 0.65 0.00 -0.73 0.00 0.00 179.01 179.65 1o1o h ARG 31 N 0.86 1.25 -0.28 1.92 3.08 -0.90 -1.74 114.38 118.57 1o1o h ARG 31 Ca 0.22 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 60.14 1o1o h ARG 31 Cb 0.12 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 1o1o h ARG 31 CO -0.03 0.83 -0.01 1.98 -1.07 0.00 0.00 179.97 181.67 1o1o h MET 32 N 1.29 0.50 -0.49 0.04 4.05 -0.35 -0.26 114.93 119.71 1o1o h MET 32 Ca 0.37 -0.16 -0.04 0.00 -0.28 0.00 0.00 59.70 59.59 1o1o h MET 32 Cb -0.08 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 30.66 1o1o h MET 32 CO -0.10 0.66 0.15 0.74 0.23 0.00 0.00 176.91 178.60 1o1o h PHE 33 N 0.28 0.73 0.16 1.39 0.04 -0.51 -0.11 116.94 118.92 1o1o h PHE 33 Ca 0.08 -0.05 -0.29 0.00 2.80 0.00 0.00 57.97 60.51 1o1o h PHE 33 Cb 0.44 -0.22 0.03 0.00 2.20 0.00 0.00 35.95 38.40 1o1o h PHE 33 CO 0.04 0.60 -1.22 -0.07 -0.60 0.00 0.00 178.31 177.05 1o1o h LEU 34 N 0.71 0.79 -0.17 1.54 3.38 -1.22 -3.31 115.31 117.02 1o1o h LEU 34 Ca 0.16 -0.87 -0.21 0.00 0.09 0.00 0.00 57.88 57.05 1o1o h LEU 34 Cb 0.21 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1o1o h LEU 34 CO -0.01 1.59 -0.96 0.28 0.09 0.00 0.00 178.44 179.44 1o1o h SER 35 N 0.11 0.25 -2.27 -0.43 0.02 -0.93 -3.39 113.55 106.91 1o1o h SER 35 Ca -0.20 -0.22 -0.58 0.00 -0.84 0.00 0.00 61.79 59.94 1o1o h SER 35 Cb 1.93 -0.08 -0.40 0.00 0.14 0.00 0.00 62.40 63.99 1o1o h SER 35 CO 0.23 1.07 -0.89 0.49 -1.14 0.00 0.00 176.83 176.59 1o1o n PHE 36 N -3.60 0.88 0.24 3.45 3.72 -0.06 -5.00 117.46 117.10 1o1o n PHE 36 Ca -0.04 -3.73 0.18 0.00 -0.05 0.00 0.00 57.45 53.81 1o1o n PHE 36 Cb 0.86 -0.29 0.87 0.00 -0.94 0.00 0.00 39.48 39.99 1o1o n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1o1o h PRO 37 N 4.61 0.00 0.00 -1.08 0.11 -1.75 -1.11 132.00 132.77 1o1o h PRO 37 Ca 0.16 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.25 1o1o h PRO 37 Cb 0.82 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.93 1o1o h PRO 37 CO 0.56 0.00 -0.07 1.79 -0.21 0.00 0.00 178.00 180.07 1o1o h THR 38 N 0.00 0.41 0.00 -1.15 1.35 -1.91 -1.63 112.91 109.98 1o1o h THR 38 Ca 0.07 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 1o1o h THR 38 Cb 0.56 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 1o1o h THR 38 CO -0.00 0.07 0.00 0.71 -0.25 0.00 0.00 175.52 176.05 1o1o h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.52 -2.20 112.91 117.36 1o1o h THR 39 Ca -0.00 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 1o1o h THR 39 Cb 0.26 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 1o1o h THR 39 CO 0.01 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.39 1o1o h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.49 -2.74 116.57 118.64 1o1o h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1o1o h LYS 40 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1o1o h LYS 40 CO 0.00 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.67 1o1o h THR 41 N 0.00 0.00 -0.01 -0.16 1.35 -1.58 -1.90 112.91 110.62 1o1o h THR 41 Ca 0.00 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.72 1o1o h THR 41 Cb 0.23 0.87 0.00 0.00 -1.73 0.00 0.00 68.15 67.52 1o1o h THR 41 CO 0.00 0.00 -0.31 -1.22 -0.25 0.00 0.00 175.52 173.74 1o1o n TYR 42 N -2.55 0.00 -2.56 4.73 4.01 -1.03 -4.39 117.16 115.37 1o1o n TYR 42 Ca -0.01 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.53 1o1o n TYR 42 Cb 0.13 -0.10 0.01 0.00 -0.31 0.00 0.00 39.34 39.07 1o1o n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1o1o n PHE 43 N -0.58 2.53 0.26 -0.72 3.01 -0.71 -4.87 117.46 116.38 1o1o n PHE 43 Ca 0.11 -3.02 0.15 0.00 1.01 0.00 0.00 57.45 55.71 1o1o n PHE 43 Cb 0.37 -0.20 0.50 0.00 -0.01 0.00 0.00 39.48 40.14 1o1o n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1o1o h PRO 44 N 2.75 0.00 -0.26 -1.08 0.13 -1.77 -2.44 132.00 129.33 1o1o h PRO 44 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1o1o h PRO 44 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1o1o h PRO 44 CO 0.71 0.01 0.00 -2.39 -0.23 0.00 0.00 178.00 176.10 1o1o n HIS 45 N -3.10 0.35 -4.12 1.56 1.44 -1.26 -4.88 115.22 105.20 1o1o n HIS 45 Ca 0.02 -0.17 -0.30 0.00 -2.01 0.00 0.00 57.72 55.25 1o1o n HIS 45 Cb 0.39 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.42 1o1o n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1o1o s PHE 46 N -1.65 3.04 -0.50 -1.40 0.40 -0.92 -5.08 117.98 111.86 1o1o s PHE 46 Ca 0.25 0.00 -0.27 0.00 -0.60 0.00 0.00 56.93 56.32 1o1o s PHE 46 Cb 0.13 -1.56 0.03 0.00 0.51 0.00 0.00 43.02 42.13 1o1o s PHE 46 CO 0.19 0.49 1.06 0.34 0.70 0.00 0.00 175.22 178.00 1o1o s ASP 47 N -2.27 6.52 0.00 1.36 -1.08 -1.26 -4.92 116.67 115.01 1o1o s ASP 47 Ca 0.26 0.19 0.22 0.00 -0.52 0.00 0.00 52.55 52.70 1o1o s ASP 47 Cb -0.12 -2.51 0.60 0.00 -1.46 0.00 0.00 42.92 39.44 1o1o s ASP 47 CO 0.19 -1.23 1.48 0.18 0.52 0.00 0.00 175.17 176.30 1o1o n LEU 48 N 7.71 2.37 -4.70 -1.34 4.77 -1.26 -4.48 117.00 120.06 1o1o n LEU 48 Ca 0.08 -1.00 -0.33 0.00 -0.03 0.00 0.00 56.01 54.74 1o1o n LEU 48 Cb 0.49 -0.16 0.13 0.00 -2.33 0.00 0.00 43.42 41.55 1o1o n LEU 48 CO 0.68 0.50 0.74 -0.94 -1.33 0.00 0.00 177.39 177.04 1o1o s SER 49 N -1.54 3.63 0.14 -1.43 1.04 -1.26 -4.85 113.70 109.43 1o1o s SER 49 Ca 0.34 2.25 -0.34 0.00 0.48 0.00 0.00 55.95 58.68 1o1o s SER 49 Cb 0.19 -2.57 -0.14 0.00 0.10 0.00 0.00 66.02 63.60 1o1o s SER 49 CO 0.28 -2.64 1.59 1.57 0.98 0.00 0.00 173.24 175.02 1o1o n HIS 50 N -3.47 2.26 -0.20 5.02 -0.00 -1.26 -1.48 115.22 116.09 1o1o n HIS 50 Ca 0.12 0.26 0.00 0.00 0.46 0.00 0.00 57.72 58.57 1o1o n HIS 50 Cb 0.51 -2.54 0.00 0.00 -0.12 0.00 0.00 29.99 27.84 1o1o n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1o1o n GLY 51 N 3.44 1.02 3.68 1.57 0.00 -1.26 -5.01 105.19 108.64 1o1o n GLY 51 Ca 0.17 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.65 1o1o n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1o1o n SER 52 N 0.00 2.40 0.26 1.61 2.88 -0.55 -4.84 113.62 115.38 1o1o n SER 52 Ca 0.00 1.07 0.13 0.00 -1.33 0.00 0.00 58.87 58.74 1o1o n SER 52 Cb 0.00 -1.19 0.79 0.00 -0.75 0.00 0.00 64.21 63.06 1o1o n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1o1o h ALA 53 N 6.88 1.79 -0.35 -1.46 0.00 -1.91 0.21 119.26 124.42 1o1o h ALA 53 Ca -0.47 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.32 1o1o h ALA 53 Cb 1.31 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1o1o h ALA 53 CO 0.92 -0.06 -0.24 1.96 0.00 0.00 0.00 179.25 181.82 1o1o h GLN 54 N 0.00 0.78 -0.52 0.00 4.20 -1.88 0.16 115.11 117.85 1o1o h GLN 54 Ca 0.02 -0.37 -0.05 0.00 0.06 0.00 0.00 58.65 58.31 1o1o h GLN 54 Cb 0.10 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 1o1o h GLN 54 CO -0.00 1.00 0.15 0.28 -0.67 0.00 0.00 178.83 179.59 1o1o h VAL 55 N 0.57 1.24 -0.85 -0.54 2.07 -1.66 -0.61 116.25 116.46 1o1o h VAL 55 Ca 0.07 -0.81 -0.02 0.00 0.82 0.00 0.00 66.70 66.76 1o1o h VAL 55 Cb 0.81 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 1o1o h VAL 55 CO 0.07 0.30 0.47 0.11 0.02 0.00 0.00 177.57 178.53 1o1o h LYS 56 N 0.72 1.18 -0.36 1.57 1.57 -0.76 0.44 116.57 120.94 1o1o h LYS 56 Ca 0.17 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1o1o h LYS 56 Cb 0.30 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1o1o h LYS 56 CO -0.00 0.87 0.15 0.78 -0.57 0.00 0.00 179.45 180.67 1o1o h GLY 57 N 1.18 0.57 1.22 3.86 0.00 -0.44 -2.08 103.07 107.38 1o1o h GLY 57 Ca 0.30 -0.30 -0.13 0.00 0.00 0.00 0.00 47.33 47.19 1o1o h GLY 57 CO -0.05 0.29 -0.25 0.84 0.00 0.00 0.00 176.54 177.37 1o1o h HIS 58 N 0.43 1.02 -1.00 5.60 -0.00 -0.92 -2.80 115.15 117.49 1o1o h HIS 58 Ca 0.12 -0.25 0.08 0.00 -0.00 0.00 0.00 60.37 60.31 1o1o h HIS 58 Cb 0.17 -0.24 -0.07 0.00 -0.00 0.00 0.00 27.41 27.28 1o1o h HIS 58 CO -0.01 1.04 0.64 0.78 -0.00 0.00 0.00 177.93 180.38 1o1o h GLY 59 N 0.91 1.54 1.00 5.26 0.00 -0.71 -0.78 103.07 110.29 1o1o h GLY 59 Ca 0.10 -0.46 -0.06 0.00 0.00 0.00 0.00 47.33 46.91 1o1o h GLY 59 CO 0.07 0.30 0.13 1.70 0.00 0.00 0.00 176.54 178.73 1o1o h LYS 60 N 1.13 0.88 -0.55 4.80 1.63 -1.16 -0.61 116.57 122.69 1o1o h LYS 60 Ca 0.44 -0.22 -0.09 0.00 -0.85 0.00 0.00 60.65 59.93 1o1o h LYS 60 Cb 0.24 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.73 1o1o h LYS 60 CO -0.19 0.83 -0.02 0.87 -3.45 0.00 0.00 179.45 177.50 1o1o h LYS 61 N 0.78 0.98 -0.19 1.90 1.57 -1.14 0.04 116.57 120.52 1o1o h LYS 61 Ca 0.17 -0.32 0.05 0.00 -1.87 0.00 0.00 60.65 58.68 1o1o h LYS 61 Cb 0.35 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.53 1o1o h LYS 61 CO 0.00 0.99 -0.14 1.25 -0.57 0.00 0.00 179.45 180.98 1o1o h LEU 62 N 0.86 -0.46 -0.77 2.94 5.85 -1.05 -0.66 115.31 122.02 1o1o h LEU 62 Ca 0.15 0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.93 1o1o h LEU 62 Cb 0.56 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.79 1o1o h LEU 62 CO 0.03 -0.18 0.30 0.00 -0.34 0.00 0.00 178.44 178.25 1o1o h ALA 63 N 0.97 0.99 -0.94 1.25 0.00 -0.80 -1.42 119.26 119.32 1o1o h ALA 63 Ca 0.11 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1o1o h ALA 63 Cb 0.32 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1o1o h ALA 63 CO -0.28 0.62 0.59 -0.44 0.00 0.00 0.00 179.25 179.74 1o1o h ASP 64 N 1.11 1.11 -0.47 0.00 3.32 -0.63 0.87 116.42 121.73 1o1o h ASP 64 Ca 0.25 -0.05 -0.09 0.00 0.02 0.00 0.00 57.03 57.16 1o1o h ASP 64 Cb 0.22 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 1o1o h ASP 64 CO -0.02 0.83 -0.03 0.00 -1.72 0.00 0.00 179.24 178.30 1o1o h ALA 65 N 1.32 0.97 -0.52 3.45 0.00 -0.50 -1.07 119.26 122.92 1o1o h ALA 65 Ca 0.34 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1o1o h ALA 65 Cb -0.09 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1o1o h ALA 65 CO -0.07 0.62 -0.09 -0.07 0.00 0.00 0.00 179.25 179.64 1o1o h LEU 66 N 0.83 0.94 -0.76 0.00 3.38 -0.52 0.74 115.31 119.91 1o1o h LEU 66 Ca 0.15 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1o1o h LEU 66 Cb 0.53 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 1o1o h LEU 66 CO 0.03 1.05 0.49 0.74 0.09 0.00 0.00 178.44 180.84 1o1o h THR 67 N 0.85 1.20 -0.54 0.22 2.02 -0.52 0.12 112.91 116.26 1o1o h THR 67 Ca 0.14 -0.39 -0.07 0.00 0.77 0.00 0.00 66.41 66.86 1o1o h THR 67 Cb 0.63 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 1o1o h THR 67 CO 0.04 0.20 0.06 -1.13 0.37 0.00 0.00 175.52 175.06 1o1o h ASN 68 N 1.04 0.83 -0.53 4.18 -1.24 -0.77 -1.73 115.58 117.37 1o1o h ASN 68 Ca 0.28 -0.19 -0.12 0.00 0.71 0.00 0.00 56.30 56.98 1o1o h ASN 68 Cb -0.10 -0.22 -0.02 0.00 0.73 0.00 0.00 38.32 38.72 1o1o h ASN 68 CO -0.06 0.86 -0.14 0.00 -1.29 0.00 0.00 177.43 176.81 1o1o h ALA 69 N 1.24 0.73 -0.48 1.57 0.00 0.02 -2.02 119.26 120.31 1o1o h ALA 69 Ca 0.17 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 1o1o h ALA 69 Cb 0.41 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1o1o h ALA 69 CO 0.01 0.66 -0.09 0.28 0.00 0.00 0.00 179.25 180.12 1o1o h VAL 70 N 0.89 1.26 0.00 0.00 2.07 -0.58 -1.98 116.25 117.91 1o1o h VAL 70 Ca 0.13 -1.18 -0.03 0.00 0.82 0.00 0.00 66.70 66.44 1o1o h VAL 70 Cb 0.71 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1o1o h VAL 70 CO 0.05 0.41 -0.14 0.00 0.02 0.00 0.00 177.57 177.91 1o1o h ALA 71 N 1.11 1.03 -0.93 1.67 0.00 -1.11 -2.98 119.26 118.05 1o1o h ALA 71 Ca 0.13 -0.13 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 1o1o h ALA 71 Cb 0.59 -0.02 -0.42 0.00 0.00 0.00 0.00 17.79 17.95 1o1o h ALA 71 CO 0.04 0.17 -0.66 0.72 0.00 0.00 0.00 179.25 179.52 1o1o n HIS 72 N -3.30 2.92 0.32 0.00 8.25 -0.78 -4.85 115.22 117.79 1o1o n HIS 72 Ca 0.00 -2.46 0.21 0.00 -0.26 0.00 0.00 57.72 55.21 1o1o n HIS 72 Cb 0.38 -0.37 1.11 0.00 1.12 0.00 0.00 29.99 32.22 1o1o n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1o1o h VAL 73 N 2.19 0.12 -0.02 1.59 3.04 -1.21 -1.25 116.25 120.71 1o1o h VAL 73 Ca 0.37 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.99 1o1o h VAL 73 Cb 1.34 1.06 0.00 0.00 -2.01 0.00 0.00 31.29 31.68 1o1o h VAL 73 CO 0.84 0.01 -0.20 0.47 -1.01 0.00 0.00 177.57 177.68 1o1o n ASP 74 N -3.24 1.74 -2.74 3.17 8.00 -1.26 -4.23 116.55 117.99 1o1o n ASP 74 Ca -0.03 -1.39 -0.04 0.00 0.71 0.00 0.00 54.79 54.04 1o1o n ASP 74 Cb 0.10 0.16 0.06 0.00 -0.02 0.00 0.00 41.12 41.42 1o1o n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1o1o n ASP 75 N 0.07 0.72 -0.26 -2.24 -0.08 -0.52 -4.99 116.55 109.25 1o1o n ASP 75 Ca 0.13 -2.32 -0.04 0.00 -1.51 0.00 0.00 54.79 51.06 1o1o n ASP 75 Cb 0.42 -0.17 0.12 0.00 2.34 0.00 0.00 41.12 43.83 1o1o n ASP 75 CO 0.00 0.00 0.00 0.24 0.12 0.00 0.00 177.20 177.56 1o1o h MET 76 N 2.44 1.11 -0.65 -0.67 2.86 -1.60 -2.73 114.93 115.69 1o1o h MET 76 Ca -0.19 -0.18 0.11 0.00 -2.06 0.00 0.00 59.70 57.38 1o1o h MET 76 Cb 1.25 -0.19 -0.08 0.00 0.06 0.00 0.00 31.60 32.64 1o1o h MET 76 CO 0.20 0.88 0.24 -1.35 1.06 0.00 0.00 176.91 177.94 1o1o h PRO 77 N 1.09 0.40 -0.12 -0.22 0.11 -1.94 -2.02 132.00 129.31 1o1o h PRO 77 Ca 0.26 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.31 1o1o h PRO 77 Cb 0.17 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.19 1o1o h PRO 77 CO -0.03 0.26 -0.04 -0.97 -0.21 0.00 0.00 178.00 177.01 1o1o h ASN 78 N 0.41 0.24 0.12 -2.05 -1.24 -1.91 -1.91 115.58 109.24 1o1o h ASN 78 Ca 0.34 -0.39 -0.02 0.00 0.71 0.00 0.00 56.30 56.93 1o1o h ASN 78 Cb 0.45 -0.07 -0.00 0.00 0.73 0.00 0.00 38.32 39.43 1o1o h ASN 78 CO -0.34 0.58 -0.11 0.00 -1.29 0.00 0.00 177.43 176.26 1o1o h ALA 79 N 0.67 1.79 -0.39 1.57 0.00 -1.24 -1.87 119.26 119.79 1o1o h ALA 79 Ca 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1o1o h ALA 79 Cb 0.48 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1o1o h ALA 79 CO 0.01 0.14 0.00 1.28 0.00 0.00 0.00 179.25 180.69 1o1o n LEU 80 N -4.38 4.32 -0.19 0.00 4.77 -0.78 -4.70 117.00 116.04 1o1o n LEU 80 Ca -0.03 -2.81 -0.02 0.00 -0.03 0.00 0.00 56.01 53.12 1o1o n LEU 80 Cb 0.19 -0.55 0.08 0.00 -2.33 0.00 0.00 43.42 40.81 1o1o n LEU 80 CO 0.35 0.69 1.02 -1.28 -1.33 0.00 0.00 177.39 176.84 1o1o h SER 81 N 2.62 0.34 0.19 -1.43 0.87 -0.49 0.21 113.55 115.86 1o1o h SER 81 Ca 0.00 0.05 -0.13 0.00 -1.23 0.00 0.00 61.79 60.48 1o1o h SER 81 Cb 1.49 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 63.43 1o1o h SER 81 CO 0.26 0.22 -0.48 0.00 -0.53 0.00 0.00 176.83 176.30 1o1o h ALA 82 N 1.34 0.93 -0.16 6.23 0.00 -1.84 -1.24 119.26 124.52 1o1o h ALA 82 Ca 0.27 -0.47 -0.13 0.00 0.00 0.00 0.00 54.91 54.58 1o1o h ALA 82 Cb 0.24 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1o1o h ALA 82 CO -0.22 0.65 -0.44 -0.07 0.00 0.00 0.00 179.25 179.17 1o1o h LEU 83 N 0.27 0.42 -0.87 0.00 3.38 -1.72 0.10 115.31 116.88 1o1o h LEU 83 Ca 0.01 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.73 1o1o h LEU 83 Cb 0.95 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 1o1o h LEU 83 CO 0.08 0.81 0.11 0.28 0.09 0.00 0.00 178.44 179.81 1o1o h SER 84 N 0.32 0.90 -0.20 -0.43 0.02 -0.23 -1.47 113.55 112.46 1o1o h SER 84 Ca 0.02 -0.19 -0.04 0.00 -0.84 0.00 0.00 61.79 60.74 1o1o h SER 84 Cb 0.91 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 1o1o h SER 84 CO 0.08 0.89 -0.05 0.44 -1.14 0.00 0.00 176.83 177.05 1o1o h ASP 85 N 0.90 0.38 -0.63 3.07 3.32 -0.81 -2.05 116.42 120.61 1o1o h ASP 85 Ca 0.19 -0.37 0.03 0.00 0.02 0.00 0.00 57.03 56.90 1o1o h ASP 85 Cb 0.37 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.78 1o1o h ASP 85 CO 0.01 0.67 0.38 0.25 -1.72 0.00 0.00 179.24 178.82 1o1o h LEU 86 N 0.10 0.61 -0.31 1.55 5.85 -0.89 -0.57 115.31 121.65 1o1o h LEU 86 Ca 0.05 0.01 -0.20 0.00 0.84 0.00 0.00 57.88 58.58 1o1o h LEU 86 Cb 0.50 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1o1o h LEU 86 CO 0.02 0.42 -0.69 0.45 -0.34 0.00 0.00 178.44 178.30 1o1o h HIS 87 N 0.74 0.87 -0.27 1.25 3.86 -1.21 -1.17 115.15 119.22 1o1o h HIS 87 Ca 0.26 -0.36 -0.10 0.00 -1.16 0.00 0.00 60.37 59.01 1o1o h HIS 87 Cb 0.06 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.38 1o1o h HIS 87 CO -0.06 1.15 -0.21 0.00 0.86 0.00 0.00 177.93 179.67 1o1o h ALA 88 N 0.75 0.39 0.00 2.45 0.00 -1.06 0.43 119.26 122.22 1o1o h ALA 88 Ca -0.03 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1o1o h ALA 88 Cb 1.28 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1o1o h ALA 88 CO 0.14 0.34 -1.63 0.72 0.00 0.00 0.00 179.25 178.82 1o1o n HIS 89 N -4.35 0.00 0.03 0.00 8.25 -0.25 -4.47 115.22 114.43 1o1o n HIS 89 Ca -0.04 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.41 1o1o n HIS 89 Cb 0.42 -0.33 -0.00 0.00 1.12 0.00 0.00 29.99 31.20 1o1o n HIS 89 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1o1o n LYS 90 N -1.98 0.05 -0.13 -0.41 5.02 -0.79 -4.85 118.16 115.05 1o1o n LYS 90 Ca -0.02 0.02 -0.12 0.00 -2.02 0.00 0.00 58.31 56.16 1o1o n LYS 90 Cb 0.41 -0.55 -0.02 0.00 -0.02 0.00 0.00 35.03 34.85 1o1o n LYS 90 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1o1o h LEU 91 N -0.09 0.87 -2.03 -0.35 3.38 -1.33 -3.47 115.31 112.29 1o1o h LEU 91 Ca 0.00 -0.42 -0.42 0.00 0.09 0.00 0.00 57.88 57.13 1o1o h LEU 91 Cb 0.09 -0.24 0.05 0.00 0.09 0.00 0.00 40.66 40.65 1o1o h LEU 91 CO 0.00 1.10 -0.86 0.54 0.09 0.00 0.00 178.44 179.31 1o1o n ARG 92 N -4.22 -4.02 -2.59 1.13 1.74 0.15 -4.95 116.66 103.91 1o1o n ARG 92 Ca -0.02 0.58 -0.42 0.00 -0.77 0.00 0.00 57.85 57.22 1o1o n ARG 92 Cb 0.44 -4.98 -0.03 0.00 -1.02 0.00 0.00 32.46 26.88 1o1o n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1o1o s VAL 93 N -3.67 4.53 0.24 1.55 1.01 -1.25 -4.98 120.40 117.84 1o1o s VAL 93 Ca 0.09 1.82 -0.31 0.00 0.00 0.00 0.00 61.98 63.58 1o1o s VAL 93 Cb -0.03 -4.17 -0.12 0.00 0.00 0.00 0.00 36.38 32.06 1o1o s VAL 93 CO 0.83 0.10 1.58 -0.67 0.00 0.00 0.00 175.10 176.93 1o1o n ASP 94 N 4.31 3.51 0.18 3.32 -0.08 -1.26 -4.84 116.55 121.69 1o1o n ASP 94 Ca 0.08 1.12 0.18 0.00 -1.51 0.00 0.00 54.79 54.66 1o1o n ASP 94 Cb 0.49 -1.53 0.81 0.00 2.34 0.00 0.00 41.12 43.23 1o1o n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1o1o h PRO 95 N 5.25 0.00 -0.07 -0.67 0.11 -2.00 -1.18 132.00 133.44 1o1o h PRO 95 Ca -0.45 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.68 1o1o h PRO 95 Cb 1.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 1o1o h PRO 95 CO 0.83 0.00 0.06 -0.39 -0.21 0.00 0.00 178.00 178.29 1o1o h VAL 96 N 0.00 0.83 0.00 3.15 -1.51 -2.04 -2.12 116.25 114.56 1o1o h VAL 96 Ca 0.11 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.57 1o1o h VAL 96 Cb 0.66 0.96 -0.00 0.00 -2.13 0.00 0.00 31.29 30.77 1o1o h VAL 96 CO -0.00 0.00 -0.07 0.78 -1.23 0.00 0.00 177.57 177.05 1o1o h ASN 97 N 0.00 0.00 -0.17 4.19 2.35 -1.57 -2.79 115.58 117.60 1o1o h ASN 97 Ca 0.03 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.71 1o1o h ASN 97 Cb 0.15 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 1o1o h ASN 97 CO -0.00 0.07 -0.12 -0.26 -1.65 0.00 0.00 177.43 175.47 1o1o h PHE 98 N 0.00 0.57 0.00 1.19 -1.00 -1.55 -1.56 116.94 114.59 1o1o h PHE 98 Ca -0.00 -0.09 -0.07 0.00 2.81 0.00 0.00 57.97 60.62 1o1o h PHE 98 Cb 0.58 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 39.98 1o1o h PHE 98 CO 0.00 0.63 -0.34 0.87 -1.61 0.00 0.00 178.31 177.86 1o1o h LYS 99 N 0.49 0.00 -0.12 1.51 1.57 -1.64 -1.22 116.57 117.16 1o1o h LYS 99 Ca 0.09 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.66 1o1o h LYS 99 Cb 0.50 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.82 1o1o h LYS 99 CO 0.03 0.34 -0.76 -0.07 -0.57 0.00 0.00 179.45 178.42 1o1o h LEU 100 N 0.00 0.88 -0.57 2.94 3.38 -1.39 -1.99 115.31 118.56 1o1o h LEU 100 Ca -0.00 -0.65 -0.14 0.00 0.09 0.00 0.00 57.88 57.18 1o1o h LEU 100 Cb 0.62 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1o1o h LEU 100 CO 0.04 1.39 -0.32 0.25 0.09 0.00 0.00 178.44 179.90 1o1o h LEU 101 N 0.43 0.84 -0.44 1.67 5.85 -1.23 -1.99 115.31 120.45 1o1o h LEU 101 Ca -0.06 -0.35 0.01 0.00 0.84 0.00 0.00 57.88 58.32 1o1o h LEU 101 Cb 1.40 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 1o1o h LEU 101 CO 0.16 1.09 0.28 0.28 -0.34 0.00 0.00 178.44 179.90 1o1o h SER 102 N 0.68 0.47 -0.60 1.25 0.02 -1.21 0.20 113.55 114.37 1o1o h SER 102 Ca 0.07 -0.01 0.05 0.00 -0.84 0.00 0.00 61.79 61.07 1o1o h SER 102 Cb 0.86 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 63.24 1o1o h SER 102 CO 0.08 0.34 0.32 -0.74 -1.14 0.00 0.00 176.83 175.69 1o1o h HIS 103 N 0.57 0.59 -0.05 3.45 -0.00 -1.27 -0.41 115.15 118.02 1o1o h HIS 103 Ca 0.17 0.02 -0.08 0.00 -0.00 0.00 0.00 60.37 60.48 1o1o h HIS 103 Cb -0.04 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 27.18 1o1o h HIS 103 CO -0.05 0.29 -0.34 0.00 -0.00 0.00 0.00 177.93 177.83 1o1o h LEU 105 N 0.09 0.90 -0.70 0.00 3.38 -0.17 -2.02 115.31 116.79 1o1o h LEU 105 Ca 0.01 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1o1o h LEU 105 Cb 0.64 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 1o1o h LEU 105 CO 0.05 1.14 0.44 -0.07 0.09 0.00 0.00 178.44 180.09 1o1o h LEU 106 N 0.72 0.82 -0.83 1.67 3.38 -0.36 -1.28 115.31 119.44 1o1o h LEU 106 Ca 0.08 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1o1o h LEU 106 Cb 0.88 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 1o1o h LEU 106 CO 0.08 0.62 0.28 0.58 0.09 0.00 0.00 178.44 180.09 1o1o h VAL 107 N 0.95 1.26 -0.32 1.22 2.07 -1.10 -1.12 116.25 119.20 1o1o h VAL 107 Ca 0.25 -0.84 -0.02 0.00 0.82 0.00 0.00 66.70 66.92 1o1o h VAL 107 Cb -0.07 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 1o1o h VAL 107 CO -0.05 0.34 0.13 0.74 0.02 0.00 0.00 177.57 178.75 1o1o h THR 108 N 1.11 1.18 -0.76 2.57 2.02 -1.00 -1.49 112.91 116.55 1o1o h THR 108 Ca 0.25 -0.54 -0.06 0.00 0.77 0.00 0.00 66.41 66.83 1o1o h THR 108 Cb 0.24 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 1o1o h THR 108 CO -0.02 0.19 0.25 -0.07 0.37 0.00 0.00 175.52 176.24 1o1o h LEU 109 N 0.37 1.09 -0.94 2.58 3.38 -1.06 -2.44 115.31 118.29 1o1o h LEU 109 Ca 0.11 -0.20 0.06 0.00 0.09 0.00 0.00 57.88 57.94 1o1o h LEU 109 Cb 0.18 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.58 1o1o h LEU 109 CO -0.01 1.00 0.60 0.00 0.09 0.00 0.00 178.44 180.12 1o1o h ALA 110 N 1.14 1.30 0.00 1.53 0.00 -0.94 0.53 119.26 122.81 1o1o h ALA 110 Ca 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1o1o h ALA 110 Cb 0.29 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1o1o h ALA 110 CO -0.01 0.39 0.00 0.00 0.00 0.00 0.00 179.25 179.63 1o1o h ALA 111 N 1.43 1.00 0.00 0.00 0.00 -0.85 -3.27 119.26 117.57 1o1o h ALA 111 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1o1o h ALA 111 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1o1o h ALA 111 CO -0.17 0.00 -1.37 0.72 0.00 0.00 0.00 179.25 178.44 1o1o n HIS 112 N -2.76 0.00 -2.98 0.00 -0.00 -0.93 -4.81 115.22 103.73 1o1o n HIS 112 Ca 0.03 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.42 1o1o n HIS 112 Cb 0.39 -0.19 -0.03 0.00 -0.00 0.00 0.00 29.99 30.17 1o1o n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1o1o n LEU 113 N -1.78 5.35 0.16 2.41 4.77 0.18 -4.94 117.00 123.15 1o1o n LEU 113 Ca -0.01 -5.49 -0.14 0.00 -0.03 0.00 0.00 56.01 50.33 1o1o n LEU 113 Cb 0.21 -0.84 -0.07 0.00 -2.33 0.00 0.00 43.42 40.39 1o1o n LEU 113 CO 0.17 2.12 0.66 1.55 -1.33 0.00 0.00 177.39 180.56 1o1o h PRO 114 N 3.92 -0.57 -0.44 3.23 0.13 -1.83 -0.20 132.00 136.24 1o1o h PRO 114 Ca 0.26 0.04 -0.08 0.00 -0.87 0.00 0.00 66.00 65.35 1o1o h PRO 114 Cb 0.51 0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.75 1o1o h PRO 114 CO 0.99 -0.38 -0.04 0.00 -0.23 0.00 0.00 178.00 178.34 1o1o h ALA 115 N 0.01 0.59 0.00 -0.56 0.00 -1.94 -3.26 119.26 114.10 1o1o h ALA 115 Ca 0.01 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 1o1o h ALA 115 Cb 0.57 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1o1o h ALA 115 CO -0.11 0.43 -0.35 0.93 0.00 0.00 0.00 179.25 180.14 1o1o h GLU 116 N 0.64 0.00 -3.55 0.00 3.07 -1.90 -3.38 114.58 109.46 1o1o h GLU 116 Ca 0.12 0.00 -0.73 0.00 -0.50 0.00 0.00 59.36 58.25 1o1o h GLU 116 Cb 0.56 0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 28.37 1o1o h GLU 116 CO 0.03 0.35 2.61 0.34 -1.40 0.00 0.00 179.01 180.94 1o1o n PHE 117 N -3.28 3.06 -1.98 4.33 7.35 -0.11 -4.75 117.46 122.09 1o1o n PHE 117 Ca 0.02 -2.88 -0.29 0.00 -0.76 0.00 0.00 57.45 53.53 1o1o n PHE 117 Cb 0.60 -2.20 0.05 0.00 0.35 0.00 0.00 39.48 38.29 1o1o n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1o1o s THR 118 N 1.37 3.21 0.26 -2.13 -4.23 -1.26 -4.78 115.64 108.09 1o1o s THR 118 Ca 0.46 0.30 -0.01 0.00 -1.18 0.00 0.00 61.69 61.25 1o1o s THR 118 Cb 0.13 -3.37 0.24 0.00 1.34 0.00 0.00 72.50 70.83 1o1o s THR 118 CO -0.04 -0.47 1.76 -0.65 -0.54 0.00 0.00 174.62 174.67 1o1o h PRO 119 N -0.65 0.58 -0.64 3.99 0.11 -1.98 0.29 132.00 133.70 1o1o h PRO 119 Ca -0.45 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.57 1o1o h PRO 119 Cb 1.27 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 1o1o h PRO 119 CO 0.64 0.39 0.18 0.00 -0.21 0.00 0.00 178.00 178.99 1o1o h ALA 120 N 1.55 0.84 -0.25 -0.75 0.00 -1.96 -1.69 119.26 117.00 1o1o h ALA 120 Ca 0.46 -0.22 -0.20 0.00 0.00 0.00 0.00 54.91 54.94 1o1o h ALA 120 Cb 0.65 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1o1o h ALA 120 CO -0.37 0.54 -0.61 0.28 0.00 0.00 0.00 179.25 179.09 1o1o h VAL 121 N 0.94 1.27 -0.20 0.00 2.07 -1.63 -2.04 116.25 116.66 1o1o h VAL 121 Ca 0.20 -1.80 0.05 0.00 0.82 0.00 0.00 66.70 65.98 1o1o h VAL 121 Cb 0.33 1.74 -0.06 0.00 -1.52 0.00 0.00 31.29 31.77 1o1o h VAL 121 CO -0.00 0.58 -0.22 -0.74 0.02 0.00 0.00 177.57 177.21 1o1o h HIS 122 N 0.63 -0.59 -0.79 1.57 6.17 -0.32 0.89 115.15 122.71 1o1o h HIS 122 Ca -0.01 0.03 0.02 0.00 0.71 0.00 0.00 60.37 61.13 1o1o h HIS 122 Cb 1.23 0.29 -0.04 0.00 2.52 0.00 0.00 27.41 31.41 1o1o h HIS 122 CO 0.08 -0.30 0.51 0.00 0.71 0.00 0.00 177.93 178.93 1o1o h ALA 123 N 0.78 1.02 -0.60 5.26 0.00 -1.20 -1.00 119.26 123.51 1o1o h ALA 123 Ca 0.12 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1o1o h ALA 123 Cb 0.43 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1o1o h ALA 123 CO -0.34 0.36 0.08 0.77 0.00 0.00 0.00 179.25 180.11 1o1o h SER 124 N 1.02 0.98 -0.64 0.00 0.02 -0.67 -1.69 113.55 112.56 1o1o h SER 124 Ca 0.30 -0.27 -0.09 0.00 -0.84 0.00 0.00 61.79 60.89 1o1o h SER 124 Cb -0.05 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.21 1o1o h SER 124 CO -0.09 1.00 0.05 -0.07 -1.14 0.00 0.00 176.83 176.58 1o1o h LEU 125 N 0.92 1.07 -1.02 5.07 3.38 -0.52 0.37 115.31 124.58 1o1o h LEU 125 Ca 0.18 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 1o1o h LEU 125 Cb 0.46 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1o1o h LEU 125 CO 0.02 1.09 0.11 -0.78 0.09 0.00 0.00 178.44 178.97 1o1o h ASP 126 N 1.02 0.77 -0.26 -0.43 3.58 -1.00 0.49 116.42 120.59 1o1o h ASP 126 Ca 0.19 -0.14 -0.14 0.00 0.42 0.00 0.00 57.03 57.36 1o1o h ASP 126 Cb 0.51 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.35 1o1o h ASP 126 CO 0.02 0.77 -0.32 0.11 -2.88 0.00 0.00 179.24 176.94 1o1o h LYS 127 N 0.79 0.78 -0.26 0.28 1.57 -0.92 -2.11 116.57 116.70 1o1o h LYS 127 Ca 0.17 -0.37 -0.01 0.00 -1.87 0.00 0.00 60.65 58.57 1o1o h LYS 127 Cb 0.31 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1o1o h LYS 127 CO 0.00 0.99 0.13 0.35 -0.57 0.00 0.00 179.45 180.36 1o1o h PHE 128 N 0.66 0.36 -0.35 -1.35 3.57 -0.20 -0.98 116.94 118.65 1o1o h PHE 128 Ca 0.07 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.47 1o1o h PHE 128 Cb 0.86 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.47 1o1o h PHE 128 CO 0.05 0.33 -0.16 -0.07 -2.23 0.00 0.00 178.31 176.22 1o1o h LEU 129 N 0.29 0.63 -0.89 0.59 3.38 -0.83 -0.63 115.31 117.83 1o1o h LEU 129 Ca 0.09 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1o1o h LEU 129 Cb 0.10 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 1o1o h LEU 129 CO -0.01 0.80 0.54 0.00 0.09 0.00 0.00 178.44 179.86 1o1o h ALA 130 N 1.26 1.14 -0.37 1.53 0.00 -1.20 0.11 119.26 121.72 1o1o h ALA 130 Ca 0.09 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1o1o h ALA 130 Cb 0.60 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1o1o h ALA 130 CO 0.04 0.59 0.15 0.77 0.00 0.00 0.00 179.25 180.80 1o1o h SER 131 N 1.23 0.51 -0.45 0.00 0.02 -0.35 0.78 113.55 115.28 1o1o h SER 131 Ca 0.32 -0.17 0.02 0.00 -0.84 0.00 0.00 61.79 61.12 1o1o h SER 131 Cb -0.06 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.32 1o1o h SER 131 CO -0.06 0.54 0.27 0.58 -1.14 0.00 0.00 176.83 177.01 1o1o h VAL 132 N 0.45 1.04 -0.96 2.27 2.07 -0.84 -1.35 116.25 118.93 1o1o h VAL 132 Ca 0.12 -0.18 0.01 0.00 0.82 0.00 0.00 66.70 67.47 1o1o h VAL 132 Cb 0.19 0.46 -0.05 0.00 -1.52 0.00 0.00 31.29 30.38 1o1o h VAL 132 CO -0.01 0.10 0.64 0.28 0.02 0.00 0.00 177.57 178.60 1o1o h SER 133 N 0.53 1.10 -0.26 0.57 0.02 -0.53 -0.82 113.55 114.17 1o1o h SER 133 Ca 0.18 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 1o1o h SER 133 Cb 0.01 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.27 1o1o h SER 133 CO -0.08 0.80 0.11 0.74 -1.14 0.00 0.00 176.83 177.25 1o1o h THR 134 N 1.30 1.17 -0.51 -2.27 2.02 -0.39 -2.17 112.91 112.07 1o1o h THR 134 Ca 0.35 -0.50 0.04 0.00 0.77 0.00 0.00 66.41 67.07 1o1o h THR 134 Cb -0.15 1.02 -0.04 0.00 -1.74 0.00 0.00 68.15 67.23 1o1o h THR 134 CO -0.08 0.17 0.27 0.58 0.37 0.00 0.00 175.52 176.83 1o1o h VAL 135 N 0.27 0.98 0.00 3.16 2.07 -0.86 -1.58 116.25 120.29 1o1o h VAL 135 Ca 0.09 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1o1o h VAL 135 Cb 0.17 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1o1o h VAL 135 CO -0.01 0.10 -0.07 -0.07 0.02 0.00 0.00 177.57 177.54 1o1o h LEU 136 N 0.52 0.00 -2.40 2.57 3.38 -0.92 -2.50 115.31 115.97 1o1o h LEU 136 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1o1o h LEU 136 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1o1o h LEU 136 CO -0.14 0.07 0.00 0.35 0.09 0.00 0.00 178.44 178.81 1o1o n THR 137 N -3.26 0.64 0.29 0.22 -2.24 -0.84 -4.56 114.28 104.54 1o1o n THR 137 Ca -0.01 -0.82 0.17 0.00 -2.27 0.00 0.00 64.05 61.13 1o1o n THR 137 Cb 0.28 0.80 0.82 0.00 -2.10 0.00 0.00 70.33 70.13 1o1o n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1o1o h SER 138 N 3.03 0.00 -0.35 3.42 4.64 -0.82 -2.75 113.55 120.72 1o1o h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1o1o h SER 138 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 1o1o h SER 138 CO 0.00 0.04 0.00 0.29 -0.87 0.00 0.00 176.83 176.29 1o1o n LYS 139 N -3.21 3.16 0.18 4.77 5.02 -1.26 -4.65 118.16 122.18 1o1o n LYS 139 Ca -0.01 -2.69 0.03 0.00 -2.02 0.00 0.00 58.31 53.63 1o1o n LYS 139 Cb 0.24 -1.75 0.40 0.00 -0.02 0.00 0.00 35.03 33.90 1o1o n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1o1o h TYR 140 N 2.26 0.07 0.00 2.13 -1.99 -1.82 -3.47 116.97 114.16 1o1o h TYR 140 Ca 0.00 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1o1o h TYR 140 Cb 1.32 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 40.03 1o1o h TYR 140 CO 0.51 0.33 0.00 2.89 -0.00 0.00 0.00 178.16 181.89