#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 4.55 0.90 3.17 1.43 -1.26 -5.06 118.68 122.41 1o1o s LEU 2 Ca 0.00 -0.45 -0.11 0.00 -1.03 0.00 0.00 54.13 52.54 1o1o s LEU 2 Cb 0.00 -2.69 0.13 0.00 0.03 0.00 0.00 46.19 43.66 1o1o s LEU 2 CO 0.00 -0.85 1.09 -0.94 0.23 0.00 0.00 176.35 175.89 1o1o s SER 3 N 2.21 3.30 0.41 2.29 1.04 -1.26 -4.80 113.70 116.89 1o1o s SER 3 Ca 0.22 1.70 0.08 0.00 0.48 0.00 0.00 55.95 58.44 1o1o s SER 3 Cb -0.15 -2.34 0.89 0.00 0.10 0.00 0.00 66.02 64.52 1o1o s SER 3 CO 0.18 -2.78 2.03 -0.65 0.98 0.00 0.00 173.24 173.00 1o1o h PRO 4 N -1.65 0.53 -0.00 4.02 0.11 -2.00 -1.43 132.00 131.58 1o1o h PRO 4 Ca -0.48 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 65.45 1o1o h PRO 4 Cb 1.27 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1o1o h PRO 4 CO 0.51 0.35 -0.70 0.00 -0.21 0.00 0.00 178.00 177.95 1o1o h ALA 5 N 1.72 0.84 -0.44 -0.75 0.00 -2.00 -2.17 119.26 116.48 1o1o h ALA 5 Ca 0.19 -0.63 0.02 0.00 0.00 0.00 0.00 54.91 54.49 1o1o h ALA 5 Cb 0.09 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1o1o h ALA 5 CO -0.05 0.86 0.26 -0.44 0.00 0.00 0.00 179.25 179.88 1o1o h ASP 6 N 0.01 0.42 -0.83 0.00 3.32 -1.64 -1.20 116.42 116.51 1o1o h ASP 6 Ca -0.01 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.07 1o1o h ASP 6 Cb 1.23 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 40.65 1o1o h ASP 6 CO 0.09 0.30 0.54 0.11 -1.72 0.00 0.00 179.24 178.56 1o1o h LYS 7 N 0.52 1.05 -0.78 3.56 1.57 -1.09 -0.32 116.57 121.07 1o1o h LYS 7 Ca 0.17 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.84 1o1o h LYS 7 Cb 0.01 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.05 1o1o h LYS 7 CO -0.08 0.69 0.30 1.15 -0.57 0.00 0.00 179.45 180.94 1o1o h THR 8 N 1.08 1.26 -0.25 -0.16 2.02 -1.02 -0.96 112.91 114.88 1o1o h THR 8 Ca 0.32 -0.83 -0.02 0.00 0.77 0.00 0.00 66.41 66.65 1o1o h THR 8 Cb -0.06 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 66.68 1o1o h THR 8 CO -0.09 0.34 0.09 0.78 0.37 0.00 0.00 175.52 177.00 1o1o h ASN 9 N 1.13 0.35 -0.42 4.18 2.35 -0.55 -1.03 115.58 121.60 1o1o h ASN 9 Ca 0.26 -0.19 -0.03 0.00 -0.55 0.00 0.00 56.30 55.79 1o1o h ASN 9 Cb 0.23 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 1o1o h ASN 9 CO -0.02 0.45 0.15 0.58 -1.65 0.00 0.00 177.43 176.94 1o1o h VAL 10 N 0.24 1.21 -0.55 2.81 2.07 -0.93 -0.96 116.25 120.14 1o1o h VAL 10 Ca 0.08 -0.67 -0.02 0.00 0.82 0.00 0.00 66.70 66.91 1o1o h VAL 10 Cb 0.21 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 1o1o h VAL 10 CO -0.00 0.24 0.27 0.11 0.02 0.00 0.00 177.57 178.21 1o1o h LYS 11 N 0.54 0.80 -0.53 1.57 1.57 -1.09 0.70 116.57 120.13 1o1o h LYS 11 Ca 0.14 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1o1o h LYS 11 Cb 0.23 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 1o1o h LYS 11 CO -0.01 0.65 0.31 0.00 -0.57 0.00 0.00 179.45 179.83 1o1o h ALA 12 N 1.11 0.68 -0.31 3.86 0.00 -0.98 -1.32 119.26 122.30 1o1o h ALA 12 Ca 0.19 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 1o1o h ALA 12 Cb 0.11 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1o1o h ALA 12 CO -0.02 0.18 -0.33 0.00 0.00 0.00 0.00 179.25 179.07 1o1o h ALA 13 N 1.15 0.46 -0.16 0.00 0.00 -0.81 -2.45 119.26 117.45 1o1o h ALA 13 Ca 0.19 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 1o1o h ALA 13 Cb 0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1o1o h ALA 13 CO -0.03 0.52 -0.21 2.35 0.00 0.00 0.00 179.25 181.87 1o1o h TRP 14 N 0.54 0.30 -0.54 0.00 2.91 -0.82 -2.24 115.95 116.11 1o1o h TRP 14 Ca 0.05 -0.05 0.05 0.00 1.13 0.00 0.00 58.89 60.06 1o1o h TRP 14 Cb 0.91 -0.08 -0.05 0.00 -0.51 0.00 0.00 29.16 29.44 1o1o h TRP 14 CO 0.07 0.48 0.28 0.78 -1.03 0.00 0.00 178.44 179.02 1o1o h GLY 15 N 0.92 0.76 0.84 2.65 0.00 -1.08 -2.02 103.07 105.14 1o1o h GLY 15 Ca 0.04 -0.19 0.04 0.00 0.00 0.00 0.00 47.33 47.22 1o1o h GLY 15 CO 0.04 0.12 0.57 0.50 0.00 0.00 0.00 176.54 177.77 1o1o h LYS 16 N 0.54 1.06 -0.30 4.80 1.79 -0.93 -2.53 116.57 120.98 1o1o h LYS 16 Ca 0.24 -0.06 0.04 0.00 -2.18 0.00 0.00 60.65 58.69 1o1o h LYS 16 Cb 0.14 -0.24 -0.04 0.00 -1.58 0.00 0.00 32.23 30.51 1o1o h LYS 16 CO -0.16 0.70 0.06 0.28 -1.08 0.00 0.00 179.45 179.25 1o1o h VAL 17 N 1.09 0.85 0.00 0.50 2.07 -0.85 -3.45 116.25 116.46 1o1o h VAL 17 Ca 0.36 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.82 1o1o h VAL 17 Cb 0.05 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1o1o h VAL 17 CO -0.13 0.03 0.00 0.61 0.02 0.00 0.00 177.57 178.10 1o1o n GLY 18 N -1.21 3.26 0.03 2.17 0.00 -0.82 -1.52 105.19 107.10 1o1o n GLY 18 Ca 0.00 -0.04 0.09 0.00 0.00 0.00 0.00 46.02 46.07 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 10.31 1.77 1.82 4.61 0.00 -1.26 -2.51 120.51 135.24 1o1o n ALA 19 Ca 0.00 -0.03 0.16 0.00 0.00 0.00 0.00 53.44 53.57 1o1o n ALA 19 Cb 0.00 -1.30 0.88 0.00 0.00 0.00 0.00 19.45 19.03 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 -1.67 0.00 -0.24 0.00 8.25 -0.57 -4.29 115.22 116.70 1o1o n HIS 20 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 1o1o n HIS 20 Cb 0.21 -0.08 0.12 0.00 1.12 0.00 0.00 29.99 31.37 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 3.85 0.95 -0.30 -1.41 0.00 -1.62 -0.64 119.26 120.10 1o1o h ALA 21 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1o1o h ALA 21 Cb 0.10 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1o1o h ALA 21 CO 0.00 -0.02 0.20 0.78 0.00 0.00 0.00 179.25 180.21 1o1o h GLY 22 N 0.63 0.42 0.56 0.00 0.00 -1.82 0.23 103.07 103.08 1o1o h GLY 22 Ca 0.33 -0.16 0.05 0.00 0.00 0.00 0.00 47.33 47.55 1o1o h GLY 22 CO -0.24 0.15 -0.03 -2.09 0.00 0.00 0.00 176.54 174.33 1o1o h GLU 23 N 0.40 0.04 -0.56 4.80 4.81 -1.66 -1.12 114.58 121.29 1o1o h GLU 23 Ca 0.11 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.27 1o1o h GLU 23 Cb -0.05 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 1o1o h GLU 23 CO -0.02 0.02 0.09 1.88 -0.73 0.00 0.00 179.01 180.24 1o1o h TYR 24 N 0.04 0.93 -0.69 0.92 -1.99 -0.86 0.47 116.97 115.79 1o1o h TYR 24 Ca 0.12 -0.11 -0.01 0.00 2.00 0.00 0.00 58.73 60.72 1o1o h TYR 24 Cb 0.17 -0.26 -0.03 0.00 2.00 0.00 0.00 36.73 38.60 1o1o h TYR 24 CO -0.23 0.81 0.38 0.78 -0.00 0.00 0.00 178.16 179.90 1o1o h GLY 25 N 1.00 1.03 1.07 3.88 0.00 -0.14 -0.51 103.07 109.40 1o1o h GLY 25 Ca 0.17 -0.47 -0.10 0.00 0.00 0.00 0.00 47.33 46.93 1o1o h GLY 25 CO 0.01 0.45 -0.05 0.00 0.00 0.00 0.00 176.54 176.95 1o1o h ALA 26 N 1.19 0.75 -0.74 3.60 0.00 -0.58 -2.44 119.26 121.03 1o1o h ALA 26 Ca 0.24 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1o1o h ALA 26 Cb 0.04 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1o1o h ALA 26 CO -0.04 0.62 0.27 1.49 0.00 0.00 0.00 179.25 181.59 1o1o h GLU 27 N 0.89 1.11 -0.48 0.00 4.81 -0.71 -1.55 114.58 118.65 1o1o h GLU 27 Ca 0.15 -0.21 -0.06 0.00 -0.13 0.00 0.00 59.36 59.11 1o1o h GLU 27 Cb 0.61 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 1o1o h GLU 27 CO 0.04 0.92 0.05 0.00 -0.73 0.00 0.00 179.01 179.29 1o1o h ALA 28 N 1.21 1.18 -0.22 2.92 0.00 -0.89 -0.41 119.26 123.04 1o1o h ALA 28 Ca 0.24 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1o1o h ALA 28 Cb 0.25 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1o1o h ALA 28 CO -0.02 0.54 0.07 -0.07 0.00 0.00 0.00 179.25 179.78 1o1o h LEU 29 N 0.73 0.33 -0.90 0.00 3.38 -1.17 -1.60 115.31 116.07 1o1o h LEU 29 Ca 0.15 -0.20 0.05 0.00 0.09 0.00 0.00 57.88 57.97 1o1o h LEU 29 Cb 0.38 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.98 1o1o h LEU 29 CO 0.01 0.44 0.57 -0.08 0.09 0.00 0.00 178.44 179.47 1o1o h GLU 30 N 0.19 1.04 -0.76 1.13 4.81 -0.91 0.27 114.58 120.35 1o1o h GLU 30 Ca 0.07 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 1o1o h GLU 30 Cb 0.23 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 1o1o h GLU 30 CO -0.00 0.69 0.32 0.00 -0.73 0.00 0.00 179.01 179.28 1o1o h ARG 31 N 1.08 1.13 -0.39 1.92 3.08 -0.92 -2.22 114.38 118.06 1o1o h ARG 31 Ca 0.37 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 60.20 1o1o h ARG 31 Cb 0.09 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 1o1o h ARG 31 CO -0.15 0.92 0.14 1.98 -1.07 0.00 0.00 179.97 181.79 1o1o h MET 32 N 1.10 0.59 -0.19 0.04 4.05 -0.52 0.36 114.93 120.36 1o1o h MET 32 Ca 0.26 -0.12 -0.05 0.00 -0.28 0.00 0.00 59.70 59.51 1o1o h MET 32 Cb 0.20 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 30.89 1o1o h MET 32 CO -0.02 0.58 -0.09 0.74 0.23 0.00 0.00 176.91 178.35 1o1o h PHE 33 N 0.48 0.31 0.16 1.39 0.04 -0.76 0.19 116.94 118.76 1o1o h PHE 33 Ca 0.13 -0.03 -0.29 0.00 2.80 0.00 0.00 57.97 60.58 1o1o h PHE 33 Cb 0.22 -0.09 0.01 0.00 2.20 0.00 0.00 35.95 38.29 1o1o h PHE 33 CO 0.00 0.40 -1.38 -0.07 -0.60 0.00 0.00 178.31 176.66 1o1o h LEU 34 N 0.29 0.53 0.00 1.54 3.38 -1.23 -3.33 115.31 116.50 1o1o h LEU 34 Ca 0.06 -0.91 -0.24 0.00 0.09 0.00 0.00 57.88 56.89 1o1o h LEU 34 Cb 0.35 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1o1o h LEU 34 CO 0.02 1.63 -1.09 0.28 0.09 0.00 0.00 178.44 179.37 1o1o h SER 35 N -0.15 0.27 -2.72 -0.43 0.02 -0.83 -3.39 113.55 106.31 1o1o h SER 35 Ca -0.27 -0.27 -0.61 0.00 -0.84 0.00 0.00 61.79 59.80 1o1o h SER 35 Cb 1.89 -0.09 -0.40 0.00 0.14 0.00 0.00 62.40 63.94 1o1o h SER 35 CO 0.14 1.18 -0.75 0.49 -1.14 0.00 0.00 176.83 176.76 1o1o n PHE 36 N -3.51 1.55 0.31 3.45 3.72 0.65 -4.98 117.46 118.66 1o1o n PHE 36 Ca -0.05 -3.89 0.19 0.00 -0.05 0.00 0.00 57.45 53.64 1o1o n PHE 36 Cb 0.95 -0.27 1.04 0.00 -0.94 0.00 0.00 39.48 40.26 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 5.37 0.00 0.00 -1.08 0.11 -1.74 -1.40 132.00 133.26 1o1o h PRO 37 Ca 0.20 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.29 1o1o h PRO 37 Cb 0.81 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.92 1o1o h PRO 37 CO 0.58 0.01 -0.07 1.79 -0.21 0.00 0.00 178.00 180.10 1o1o h THR 38 N 0.00 0.25 0.00 -1.15 1.35 -1.91 -1.67 112.91 109.79 1o1o h THR 38 Ca -0.00 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 1o1o h THR 38 Cb 0.04 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 67.85 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 -1.57 -1.72 112.91 117.79 1o1o h THR 39 Ca -0.00 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 1o1o h THR 39 Cb 0.38 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 67.96 1o1o h THR 39 CO 0.01 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.57 1o1o n LYS 40 N -2.78 0.18 0.23 4.72 5.02 -0.63 -2.77 118.16 122.13 1o1o n LYS 40 Ca 0.00 0.44 0.16 0.00 -2.02 0.00 0.00 58.31 56.89 1o1o n LYS 40 Cb 0.21 -1.86 0.76 0.00 -0.02 0.00 0.00 35.03 34.12 1o1o n LYS 40 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1o1o h THR 41 N 0.00 0.00 -0.00 -0.18 1.35 -1.48 -1.78 112.91 110.81 1o1o h THR 41 Ca 0.00 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 1o1o h THR 41 Cb 0.32 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 1o1o h THR 41 CO 0.00 0.00 -0.52 -1.22 -0.25 0.00 0.00 175.52 173.53 1o1o n TYR 42 N -2.64 0.00 -2.42 4.73 4.01 -1.12 -4.36 117.16 115.36 1o1o n TYR 42 Ca -0.01 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.52 1o1o n TYR 42 Cb 0.14 -0.17 0.01 0.00 -0.31 0.00 0.00 39.34 39.01 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 -1.25 2.70 0.39 -0.72 3.01 -0.67 -4.84 117.46 116.08 1o1o n PHE 43 Ca 0.07 -2.76 0.13 0.00 1.01 0.00 0.00 57.45 55.90 1o1o n PHE 43 Cb 0.34 -0.21 0.51 0.00 -0.01 0.00 0.00 39.48 40.12 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 2.55 0.00 -0.07 -1.08 0.13 -1.76 -2.28 132.00 129.49 1o1o h PRO 44 Ca 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 1o1o h PRO 44 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1o1o h PRO 44 CO 0.72 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 176.10 1o1o n HIS 45 N -2.50 0.08 -4.02 1.56 1.44 -1.26 -4.89 115.22 105.63 1o1o n HIS 45 Ca 0.02 -0.04 -0.32 0.00 -2.01 0.00 0.00 57.72 55.38 1o1o n HIS 45 Cb 0.29 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.34 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 -1.92 3.33 -0.46 -1.40 0.40 -0.86 -5.07 117.98 112.01 1o1o s PHE 46 Ca 0.36 0.18 -0.29 0.00 -0.60 0.00 0.00 56.93 56.58 1o1o s PHE 46 Cb 0.19 -1.71 0.02 0.00 0.51 0.00 0.00 43.02 42.04 1o1o s PHE 46 CO 0.30 0.56 1.25 0.34 0.70 0.00 0.00 175.22 178.37 1o1o s ASP 47 N -2.19 6.50 -0.18 1.36 2.15 -1.26 -4.90 116.67 118.16 1o1o s ASP 47 Ca 0.29 0.57 0.15 0.00 0.43 0.00 0.00 52.55 53.99 1o1o s ASP 47 Cb -0.12 -2.55 0.74 0.00 -0.30 0.00 0.00 42.92 40.69 1o1o s ASP 47 CO 0.21 -1.34 1.64 0.18 -0.17 0.00 0.00 175.17 175.69 1o1o n LEU 48 N 8.27 5.13 -4.75 -1.34 4.77 -1.26 -4.48 117.00 123.35 1o1o n LEU 48 Ca 0.14 -2.60 -0.35 0.00 -0.03 0.00 0.00 56.01 53.17 1o1o n LEU 48 Cb 0.49 -0.64 0.04 0.00 -2.33 0.00 0.00 43.42 40.98 1o1o n LEU 48 CO 0.71 0.67 0.80 -0.94 -1.33 0.00 0.00 177.39 177.31 1o1o s SER 49 N -0.78 5.07 0.07 -1.43 1.04 -1.26 -4.89 113.70 111.51 1o1o s SER 49 Ca 0.50 2.27 -0.35 0.00 0.48 0.00 0.00 55.95 58.86 1o1o s SER 49 Cb 0.36 -2.58 -0.14 0.00 0.10 0.00 0.00 66.02 63.76 1o1o s SER 49 CO 0.18 -1.67 1.59 1.57 0.98 0.00 0.00 173.24 175.89 1o1o n HIS 50 N -1.92 2.09 -0.61 5.02 -0.00 -1.26 -1.95 115.22 116.58 1o1o n HIS 50 Ca 0.13 0.33 0.00 0.00 0.46 0.00 0.00 57.72 58.63 1o1o n HIS 50 Cb 0.50 -2.51 0.00 0.00 -0.12 0.00 0.00 29.99 27.87 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 3.43 0.82 3.63 1.57 0.00 -1.26 -5.00 105.19 108.38 1o1o n GLY 51 Ca 0.19 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.73 1o1o n GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1o1o n SER 52 N 0.00 2.23 0.02 1.61 3.41 -0.82 -4.78 113.62 115.29 1o1o n SER 52 Ca 0.00 1.12 0.16 0.00 -0.26 0.00 0.00 58.87 59.89 1o1o n SER 52 Cb 0.00 -1.32 0.62 0.00 -0.26 0.00 0.00 64.21 63.25 1o1o n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1o1o h ALA 53 N 4.47 2.27 -0.33 7.33 0.00 -1.91 0.40 119.26 131.49 1o1o h ALA 53 Ca -0.45 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.35 1o1o h ALA 53 Cb 1.30 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1o1o h ALA 53 CO 0.78 -0.39 -0.16 1.96 0.00 0.00 0.00 179.25 181.44 1o1o h GLN 54 N 0.13 0.70 -0.30 0.00 4.20 -1.89 0.19 115.11 118.12 1o1o h GLN 54 Ca 0.22 -0.30 -0.03 0.00 0.06 0.00 0.00 58.65 58.59 1o1o h GLN 54 Cb 0.70 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.45 1o1o h GLN 54 CO -0.03 0.90 0.06 0.28 -0.67 0.00 0.00 178.83 179.37 1o1o h VAL 55 N 0.47 1.23 -0.53 -0.54 2.07 -1.51 -0.22 116.25 117.21 1o1o h VAL 55 Ca 0.07 -0.78 -0.02 0.00 0.82 0.00 0.00 66.70 66.79 1o1o h VAL 55 Cb 0.70 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 1o1o h VAL 55 CO 0.05 0.26 0.25 0.11 0.02 0.00 0.00 177.57 178.25 1o1o h LYS 56 N 0.33 0.74 -0.32 1.57 1.57 -0.90 0.60 116.57 120.16 1o1o h LYS 56 Ca 0.09 -0.09 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 1o1o h LYS 56 Cb 0.33 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1o1o h LYS 56 CO 0.00 0.58 -0.12 0.78 -0.57 0.00 0.00 179.45 180.12 1o1o h GLY 57 N 0.85 0.70 1.53 3.86 0.00 -0.36 -2.29 103.07 107.34 1o1o h GLY 57 Ca 0.18 -0.61 -0.10 0.00 0.00 0.00 0.00 47.33 46.81 1o1o h GLY 57 CO -0.02 0.55 -0.23 0.84 0.00 0.00 0.00 176.54 177.68 1o1o h HIS 58 N 0.41 0.62 -0.84 5.60 -0.00 -0.72 -2.42 115.15 117.79 1o1o h HIS 58 Ca 0.07 -0.13 0.07 0.00 -0.00 0.00 0.00 60.37 60.38 1o1o h HIS 58 Cb 0.64 -0.15 -0.06 0.00 -0.00 0.00 0.00 27.41 27.83 1o1o h HIS 58 CO 0.06 0.74 0.51 0.78 -0.00 0.00 0.00 177.93 180.02 1o1o h GLY 59 N 1.00 1.27 1.19 5.26 0.00 -0.77 0.63 103.07 111.65 1o1o h GLY 59 Ca 0.07 -0.37 -0.16 0.00 0.00 0.00 0.00 47.33 46.88 1o1o h GLY 59 CO 0.05 0.24 -0.41 1.70 0.00 0.00 0.00 176.54 178.11 1o1o h LYS 60 N 0.93 0.88 -0.50 4.80 1.63 -1.00 -0.58 116.57 122.74 1o1o h LYS 60 Ca 0.37 -0.48 -0.12 0.00 -0.85 0.00 0.00 60.65 59.57 1o1o h LYS 60 Cb 0.19 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.83 1o1o h LYS 60 CO -0.18 1.12 -0.17 0.87 -3.45 0.00 0.00 179.45 177.64 1o1o h LYS 61 N 0.71 0.98 -0.19 1.90 1.57 -1.11 0.62 116.57 121.04 1o1o h LYS 61 Ca 0.05 -0.39 0.05 0.00 -1.87 0.00 0.00 60.65 58.50 1o1o h LYS 61 Cb 1.00 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 33.21 1o1o h LYS 61 CO 0.10 1.06 -0.14 1.25 -0.57 0.00 0.00 179.45 181.15 1o1o h LEU 62 N 0.86 -0.45 -0.80 2.94 5.85 -0.73 -2.18 115.31 120.79 1o1o h LEU 62 Ca 0.12 0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.89 1o1o h LEU 62 Cb 0.73 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.95 1o1o h LEU 62 CO 0.06 -0.18 0.31 0.00 -0.34 0.00 0.00 178.44 178.28 1o1o h ALA 63 N 0.99 1.04 -0.86 1.25 0.00 -0.82 -2.35 119.26 118.50 1o1o h ALA 63 Ca 0.11 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1o1o h ALA 63 Cb 0.31 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1o1o h ALA 63 CO -0.28 0.67 0.57 -0.44 0.00 0.00 0.00 179.25 179.77 1o1o h ASP 64 N 1.16 0.97 -0.53 0.00 5.19 -0.63 0.11 116.42 122.69 1o1o h ASP 64 Ca 0.26 -0.02 -0.09 0.00 -0.62 0.00 0.00 57.03 56.56 1o1o h ASP 64 Cb 0.23 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.48 1o1o h ASP 64 CO -0.02 0.69 -0.01 0.00 -3.12 0.00 0.00 179.24 176.78 1o1o h ALA 65 N 1.33 0.91 -0.30 3.45 0.00 -1.05 -1.27 119.26 122.33 1o1o h ALA 65 Ca 0.32 -0.30 -0.18 0.00 0.00 0.00 0.00 54.91 54.74 1o1o h ALA 65 Cb -0.10 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.48 1o1o h ALA 65 CO -0.08 0.65 -0.53 -0.07 0.00 0.00 0.00 179.25 179.21 1o1o h LEU 66 N 0.90 0.99 -0.96 0.00 3.38 -0.97 -0.41 115.31 118.23 1o1o h LEU 66 Ca 0.16 -0.52 0.08 0.00 0.09 0.00 0.00 57.88 57.69 1o1o h LEU 66 Cb 0.54 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 40.94 1o1o h LEU 66 CO 0.03 1.33 0.61 0.74 0.09 0.00 0.00 178.44 181.24 1o1o h THR 67 N 0.69 1.02 -0.42 0.22 2.02 -0.84 0.16 112.91 115.75 1o1o h THR 67 Ca 0.02 -0.36 -0.02 0.00 0.77 0.00 0.00 66.41 66.81 1o1o h THR 67 Cb 1.14 -0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 1o1o h THR 67 CO 0.12 0.19 0.18 -1.13 0.37 0.00 0.00 175.52 175.25 1o1o h ASN 68 N 1.06 0.57 -0.52 4.18 -1.24 -0.82 -0.80 115.58 118.02 1o1o h ASN 68 Ca 0.44 -0.15 -0.02 0.00 0.71 0.00 0.00 56.30 57.27 1o1o h ASN 68 Cb 0.27 -0.15 -0.02 0.00 0.73 0.00 0.00 38.32 39.15 1o1o h ASN 68 CO -0.21 0.57 0.24 0.00 -1.29 0.00 0.00 177.43 176.74 1o1o h ALA 69 N 1.03 0.68 -0.41 1.57 0.00 -0.33 -0.45 119.26 121.35 1o1o h ALA 69 Ca 0.14 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1o1o h ALA 69 Cb 0.17 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1o1o h ALA 69 CO -0.01 0.26 0.00 0.28 0.00 0.00 0.00 179.25 179.77 1o1o h VAL 70 N 0.70 1.22 0.00 0.00 2.07 -0.52 -0.01 116.25 119.72 1o1o h VAL 70 Ca 0.18 -0.90 -0.06 0.00 0.82 0.00 0.00 66.70 66.74 1o1o h VAL 70 Cb 0.15 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1o1o h VAL 70 CO -0.02 0.31 -0.27 0.00 0.02 0.00 0.00 177.57 177.61 1o1o h ALA 71 N 1.38 0.91 -0.95 1.67 0.00 -0.78 -3.22 119.26 118.27 1o1o h ALA 71 Ca 0.13 -0.24 -0.51 0.00 0.00 0.00 0.00 54.91 54.29 1o1o h ALA 71 Cb 0.39 -0.04 -0.42 0.00 0.00 0.00 0.00 17.79 17.72 1o1o h ALA 71 CO 0.01 0.34 -0.86 0.72 0.00 0.00 0.00 179.25 179.46 1o1o n HIS 72 N -3.29 2.63 0.28 0.00 8.25 -0.21 -4.85 115.22 118.03 1o1o n HIS 72 Ca 0.01 -2.52 0.13 0.00 -0.26 0.00 0.00 57.72 55.08 1o1o n HIS 72 Cb 0.53 -0.25 0.81 0.00 1.12 0.00 0.00 29.99 32.20 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 2.81 0.66 -0.00 1.59 3.04 -1.02 0.10 116.25 123.43 1o1o h VAL 73 Ca 0.25 -0.14 0.00 0.00 -1.01 0.00 0.00 66.70 65.80 1o1o h VAL 73 Cb 1.29 1.08 0.00 0.00 -2.01 0.00 0.00 31.29 31.66 1o1o h VAL 73 CO 0.69 0.03 -0.08 0.47 -1.01 0.00 0.00 177.57 177.67 1o1o n ASP 74 N -3.96 0.52 -2.76 3.17 8.00 -1.26 -4.08 116.55 116.18 1o1o n ASP 74 Ca -0.03 -0.73 -0.03 0.00 0.71 0.00 0.00 54.79 54.72 1o1o n ASP 74 Cb 0.12 -0.06 0.07 0.00 -0.02 0.00 0.00 41.12 41.23 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 -0.84 0.58 -0.12 -2.24 2.03 0.28 -5.00 116.55 111.25 1o1o n ASP 75 Ca 0.16 -2.22 -0.09 0.00 0.52 0.00 0.00 54.79 53.16 1o1o n ASP 75 Cb 0.26 -0.11 -0.01 0.00 -0.72 0.00 0.00 41.12 40.55 1o1o n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1o1o h MET 76 N 2.27 0.52 -0.91 -0.67 2.86 -1.50 -0.40 114.93 117.10 1o1o h MET 76 Ca -0.21 -0.06 0.19 0.00 -2.06 0.00 0.00 59.70 57.55 1o1o h MET 76 Cb 1.26 -0.10 -0.11 0.00 0.06 0.00 0.00 31.60 32.71 1o1o h MET 76 CO 0.13 0.42 0.47 -1.35 1.06 0.00 0.00 176.91 177.64 1o1o h PRO 77 N 0.47 0.55 0.09 -0.22 0.11 -1.94 0.49 132.00 131.56 1o1o h PRO 77 Ca 0.13 -0.03 -0.26 0.00 0.11 0.00 0.00 66.00 65.95 1o1o h PRO 77 Cb 0.05 -0.12 0.01 0.00 0.11 0.00 0.00 31.00 31.05 1o1o h PRO 77 CO -0.02 0.36 -1.15 -0.97 -0.21 0.00 0.00 178.00 176.01 1o1o h ASN 78 N 0.57 0.49 -0.12 -2.05 -0.73 -1.89 -2.75 115.58 109.09 1o1o h ASN 78 Ca 0.53 -0.48 -0.06 0.00 1.87 0.00 0.00 56.30 58.16 1o1o h ASN 78 Cb 0.89 -0.16 -0.02 0.00 0.27 0.00 0.00 38.32 39.31 1o1o h ASN 78 CO -0.43 1.33 -0.10 0.00 -0.37 0.00 0.00 177.43 177.86 1o1o h ALA 79 N 0.61 1.31 -0.48 1.57 0.00 0.45 -2.90 119.26 119.82 1o1o h ALA 79 Ca -0.12 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.42 1o1o h ALA 79 Cb 1.84 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 19.44 1o1o h ALA 79 CO 0.19 0.46 0.09 1.28 0.00 0.00 0.00 179.25 181.28 1o1o n LEU 80 N -4.23 4.89 -0.16 0.00 4.77 0.16 -4.70 117.00 117.74 1o1o n LEU 80 Ca 0.01 -3.23 -0.03 0.00 -0.03 0.00 0.00 56.01 52.72 1o1o n LEU 80 Cb 0.30 -0.65 0.06 0.00 -2.33 0.00 0.00 43.42 40.81 1o1o n LEU 80 CO 0.40 0.83 0.94 -1.28 -1.33 0.00 0.00 177.39 176.95 1o1o h SER 81 N 2.11 0.12 -0.52 -1.43 0.87 -1.27 0.46 113.55 113.88 1o1o h SER 81 Ca 0.14 0.07 -0.07 0.00 -1.23 0.00 0.00 61.79 60.70 1o1o h SER 81 Cb 1.86 0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 63.87 1o1o h SER 81 CO 0.47 0.09 0.04 0.00 -0.53 0.00 0.00 176.83 176.90 1o1o h ALA 82 N 1.35 0.70 -0.23 6.23 0.00 -1.85 -1.56 119.26 123.90 1o1o h ALA 82 Ca 0.24 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1o1o h ALA 82 Cb 0.28 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1o1o h ALA 82 CO -0.27 0.48 -0.40 -0.07 0.00 0.00 0.00 179.25 178.99 1o1o h LEU 83 N 0.77 0.56 -0.97 0.00 3.38 -1.80 -0.39 115.31 116.85 1o1o h LEU 83 Ca 0.15 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.88 1o1o h LEU 83 Cb 0.47 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 1o1o h LEU 83 CO 0.02 0.90 0.64 0.28 0.09 0.00 0.00 178.44 180.36 1o1o h SER 84 N 0.44 1.13 -0.15 -0.43 0.02 -0.76 -0.98 113.55 112.81 1o1o h SER 84 Ca 0.04 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1o1o h SER 84 Cb 0.89 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 1o1o h SER 84 CO 0.08 0.82 0.04 0.44 -1.14 0.00 0.00 176.83 177.07 1o1o h ASP 85 N 1.32 0.23 -0.71 3.07 3.32 -0.40 -2.22 116.42 121.04 1o1o h ASP 85 Ca 0.36 -0.23 -0.06 0.00 0.02 0.00 0.00 57.03 57.11 1o1o h ASP 85 Cb -0.14 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.32 1o1o h ASP 85 CO -0.08 0.40 0.20 0.25 -1.72 0.00 0.00 179.24 178.29 1o1o h LEU 86 N 0.05 1.06 -0.49 1.55 5.85 -0.87 -0.19 115.31 122.27 1o1o h LEU 86 Ca 0.05 -0.22 -0.16 0.00 0.84 0.00 0.00 57.88 58.38 1o1o h LEU 86 Cb 0.26 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1o1o h LEU 86 CO 0.00 1.00 -0.56 0.45 -0.34 0.00 0.00 178.44 178.99 1o1o h HIS 87 N 1.06 0.73 -0.30 1.25 3.86 -1.18 -1.37 115.15 119.21 1o1o h HIS 87 Ca 0.23 -0.26 -0.15 0.00 -1.16 0.00 0.00 60.37 59.02 1o1o h HIS 87 Cb 0.34 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 28.67 1o1o h HIS 87 CO 0.03 1.00 -0.41 0.00 0.86 0.00 0.00 177.93 179.41 1o1o h ALA 88 N 0.94 0.45 0.00 2.45 0.00 -1.07 0.15 119.26 122.18 1o1o h ALA 88 Ca 0.01 -0.46 -0.19 0.00 0.00 0.00 0.00 54.91 54.27 1o1o h ALA 88 Cb 1.11 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 1o1o h ALA 88 CO 0.11 0.56 -2.02 0.72 0.00 0.00 0.00 179.25 178.62 1o1o n HIS 89 N -4.14 0.24 0.04 0.00 8.25 -0.11 -4.59 115.22 114.91 1o1o n HIS 89 Ca -0.04 0.08 -0.00 0.00 -0.26 0.00 0.00 57.72 57.49 1o1o n HIS 89 Cb 0.55 -0.85 -0.00 0.00 1.12 0.00 0.00 29.99 30.81 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 -2.61 0.03 -0.05 -0.41 5.02 -0.82 -4.87 118.16 114.44 1o1o n LYS 90 Ca -0.17 0.01 -0.14 0.00 -2.02 0.00 0.00 58.31 55.99 1o1o n LYS 90 Cb 0.88 -0.50 -0.07 0.00 -0.02 0.00 0.00 35.03 35.31 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 -0.05 0.54 -1.87 -0.35 3.38 -1.37 -3.47 115.31 112.12 1o1o h LEU 91 Ca 0.00 -0.55 -0.40 0.00 0.09 0.00 0.00 57.88 57.02 1o1o h LEU 91 Cb 0.05 -0.16 0.07 0.00 0.09 0.00 0.00 40.66 40.72 1o1o h LEU 91 CO 0.00 0.99 -0.83 0.54 0.09 0.00 0.00 178.44 179.23 1o1o n ARG 92 N -4.37 -4.78 -2.48 1.13 1.74 0.52 -4.94 116.66 103.48 1o1o n ARG 92 Ca -0.06 0.65 -0.42 0.00 -0.77 0.00 0.00 57.85 57.24 1o1o n ARG 92 Cb 0.48 -5.22 -0.03 0.00 -1.02 0.00 0.00 32.46 26.67 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 -3.62 4.28 0.19 1.55 1.01 -1.26 -4.98 120.40 117.58 1o1o s VAL 93 Ca 0.04 1.61 -0.33 0.00 0.00 0.00 0.00 61.98 63.31 1o1o s VAL 93 Cb -0.01 -4.04 -0.14 0.00 0.00 0.00 0.00 36.38 32.19 1o1o s VAL 93 CO 0.80 0.02 1.47 -0.67 0.00 0.00 0.00 175.10 176.72 1o1o n ASP 94 N 4.95 2.76 0.16 3.32 -0.08 -1.26 -4.82 116.55 121.58 1o1o n ASP 94 Ca 0.10 1.11 0.18 0.00 -1.51 0.00 0.00 54.79 54.68 1o1o n ASP 94 Cb 0.47 -1.40 0.73 0.00 2.34 0.00 0.00 41.12 43.26 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 4.95 0.00 0.00 -0.67 0.11 -2.00 -1.36 132.00 133.03 1o1o h PRO 95 Ca -0.45 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.61 1o1o h PRO 95 Cb 1.27 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 1o1o h PRO 95 CO 0.81 0.00 -0.25 -0.39 -0.21 0.00 0.00 178.00 177.96 1o1o h VAL 96 N 0.00 0.87 0.00 3.15 -1.51 -2.04 -2.47 116.25 114.25 1o1o h VAL 96 Ca 0.14 -0.99 0.00 0.00 -1.23 0.00 0.00 66.70 64.62 1o1o h VAL 96 Cb 1.07 1.59 0.00 0.00 -2.13 0.00 0.00 31.29 31.82 1o1o h VAL 96 CO -0.00 0.25 0.00 0.78 -1.23 0.00 0.00 177.57 177.37 1o1o h ASN 97 N 0.00 0.00 0.36 4.19 2.35 -1.60 -2.64 115.58 118.24 1o1o h ASN 97 Ca -0.00 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.62 1o1o h ASN 97 Cb 0.57 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.92 1o1o h ASN 97 CO 0.03 0.00 -0.54 -0.26 -1.65 0.00 0.00 177.43 175.01 1o1o h PHE 98 N 0.00 0.25 -0.27 1.19 -1.00 -1.61 -1.96 116.94 113.53 1o1o h PHE 98 Ca 0.00 -0.08 -0.06 0.00 2.81 0.00 0.00 57.97 60.63 1o1o h PHE 98 Cb 0.41 -0.05 -0.02 0.00 3.61 0.00 0.00 35.95 39.91 1o1o h PHE 98 CO 0.00 0.69 -0.10 0.87 -1.61 0.00 0.00 178.31 178.17 1o1o h LYS 99 N 0.15 0.44 -0.14 1.51 1.57 -1.62 -1.35 116.57 117.13 1o1o h LYS 99 Ca 0.00 -0.11 -0.19 0.00 -1.87 0.00 0.00 60.65 58.48 1o1o h LYS 99 Cb 1.00 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 33.26 1o1o h LYS 99 CO 0.08 0.55 -0.65 -0.07 -0.57 0.00 0.00 179.45 178.79 1o1o h LEU 100 N 0.42 0.82 -0.53 2.94 3.38 -1.48 -1.22 115.31 119.63 1o1o h LEU 100 Ca 0.08 -0.63 -0.09 0.00 0.09 0.00 0.00 57.88 57.34 1o1o h LEU 100 Cb 0.43 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1o1o h LEU 100 CO 0.02 1.31 -0.00 0.25 0.09 0.00 0.00 178.44 180.11 1o1o h LEU 101 N 0.38 0.92 -0.68 1.67 5.85 -1.30 -1.84 115.31 120.32 1o1o h LEU 101 Ca -0.04 -0.31 0.07 0.00 0.84 0.00 0.00 57.88 58.44 1o1o h LEU 101 Cb 1.28 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 42.01 1o1o h LEU 101 CO 0.13 1.01 0.37 0.28 -0.34 0.00 0.00 178.44 179.89 1o1o h SER 102 N 0.81 0.54 -0.52 1.25 0.02 -1.18 0.20 113.55 114.67 1o1o h SER 102 Ca 0.15 0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.12 1o1o h SER 102 Cb 0.53 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.98 1o1o h SER 102 CO 0.03 0.34 0.27 -0.74 -1.14 0.00 0.00 176.83 175.58 1o1o h HIS 103 N 0.67 0.74 0.00 3.45 -0.00 -0.98 -1.26 115.15 117.77 1o1o h HIS 103 Ca 0.31 -0.03 -0.09 0.00 -0.00 0.00 0.00 60.37 60.57 1o1o h HIS 103 Cb 0.23 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 27.40 1o1o h HIS 103 CO -0.08 0.56 -0.42 0.00 -0.00 0.00 0.00 177.93 177.99 1o1o h LEU 105 N 0.00 0.65 -0.52 0.00 3.38 -0.22 -1.23 115.31 117.36 1o1o h LEU 105 Ca -0.00 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 1o1o h LEU 105 Cb 0.77 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1o1o h LEU 105 CO 0.05 0.97 0.26 -0.07 0.09 0.00 0.00 178.44 179.75 1o1o h LEU 106 N 0.50 0.68 -0.93 1.67 3.38 -0.64 0.33 115.31 120.31 1o1o h LEU 106 Ca 0.04 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1o1o h LEU 106 Cb 0.91 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.44 1o1o h LEU 106 CO 0.08 0.61 0.52 0.58 0.09 0.00 0.00 178.44 180.32 1o1o h VAL 107 N 0.70 1.26 -0.35 1.22 2.07 -1.11 0.13 116.25 120.17 1o1o h VAL 107 Ca 0.18 -0.62 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 1o1o h VAL 107 Cb 0.10 -0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.86 1o1o h VAL 107 CO -0.02 0.29 0.15 0.74 0.02 0.00 0.00 177.57 178.74 1o1o h THR 108 N 1.28 1.18 -0.63 2.57 2.02 -0.88 -0.88 112.91 117.57 1o1o h THR 108 Ca 0.33 -0.53 -0.03 0.00 0.77 0.00 0.00 66.41 66.94 1o1o h THR 108 Cb 0.00 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 67.27 1o1o h THR 108 CO -0.06 0.19 0.29 -0.07 0.37 0.00 0.00 175.52 176.24 1o1o h LEU 109 N 0.42 0.84 -0.80 2.58 3.38 -0.44 -2.28 115.31 119.02 1o1o h LEU 109 Ca 0.12 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 57.97 1o1o h LEU 109 Cb 0.16 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 1o1o h LEU 109 CO -0.01 0.75 0.51 0.00 0.09 0.00 0.00 178.44 179.78 1o1o h ALA 110 N 1.12 1.05 0.00 1.53 0.00 -0.53 0.36 119.26 122.79 1o1o h ALA 110 Ca 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1o1o h ALA 110 Cb 0.14 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1o1o h ALA 110 CO -0.02 0.33 0.00 0.00 0.00 0.00 0.00 179.25 179.55 1o1o h ALA 111 N 1.33 1.00 0.00 0.00 0.00 -0.81 -3.19 119.26 117.59 1o1o h ALA 111 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1o1o h ALA 111 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1o1o h ALA 111 CO -0.11 0.00 -1.01 0.72 0.00 0.00 0.00 179.25 178.84 1o1o n HIS 112 N -3.00 0.00 -2.97 0.00 -0.00 -0.70 -4.79 115.22 103.77 1o1o n HIS 112 Ca 0.01 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.43 1o1o n HIS 112 Cb 0.29 -0.12 -0.03 0.00 -0.00 0.00 0.00 29.99 30.13 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 -1.57 4.95 -0.01 2.41 4.77 0.12 -4.92 117.00 122.74 1o1o n LEU 113 Ca -0.00 -5.58 -0.09 0.00 -0.03 0.00 0.00 56.01 50.30 1o1o n LEU 113 Cb 0.18 -0.71 -0.03 0.00 -2.33 0.00 0.00 43.42 40.53 1o1o n LEU 113 CO 0.17 2.23 0.79 1.55 -1.33 0.00 0.00 177.39 180.81 1o1o h PRO 114 N 3.48 -0.10 -0.50 3.23 0.13 -1.84 -1.28 132.00 135.11 1o1o h PRO 114 Ca 0.21 0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 65.27 1o1o h PRO 114 Cb 0.50 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.63 1o1o h PRO 114 CO 0.91 -0.07 -0.01 0.00 -0.23 0.00 0.00 178.00 178.60 1o1o h ALA 115 N 1.01 1.03 0.00 -0.56 0.00 -1.94 -3.28 119.26 115.52 1o1o h ALA 115 Ca 0.09 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1o1o h ALA 115 Cb 0.24 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1o1o h ALA 115 CO -0.22 0.60 -1.29 0.39 0.00 0.00 0.00 179.25 178.73 1o1o n GLU 116 N -4.20 0.62 -1.76 0.00 4.71 -0.99 -4.61 120.64 114.41 1o1o n GLU 116 Ca 0.03 0.10 -0.41 0.00 -0.01 0.00 0.00 57.16 56.87 1o1o n GLU 116 Cb 0.32 -1.77 -0.01 0.00 -1.01 0.00 0.00 31.44 28.97 1o1o n GLU 116 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1o1o n PHE 117 N -2.67 2.84 -1.75 -0.32 7.35 -0.52 -4.77 117.46 117.63 1o1o n PHE 117 Ca -0.04 -2.95 -0.29 0.00 -0.76 0.00 0.00 57.45 53.41 1o1o n PHE 117 Cb 0.64 -2.26 0.10 0.00 0.35 0.00 0.00 39.48 38.31 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 1.36 2.24 0.25 -2.13 -4.23 -1.26 -4.74 115.64 107.13 1o1o s THR 118 Ca 0.55 0.08 -0.03 0.00 -1.18 0.00 0.00 61.69 61.10 1o1o s THR 118 Cb 0.15 -2.97 0.22 0.00 1.34 0.00 0.00 72.50 71.24 1o1o s THR 118 CO -0.06 -0.10 1.77 -0.65 -0.54 0.00 0.00 174.62 175.04 1o1o h PRO 119 N -1.17 0.63 -0.44 3.99 0.11 -1.99 0.72 132.00 133.85 1o1o h PRO 119 Ca -0.48 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.47 1o1o h PRO 119 Cb 1.32 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1o1o h PRO 119 CO 0.64 0.41 -0.22 0.00 -0.21 0.00 0.00 178.00 178.62 1o1o h ALA 120 N 1.50 0.79 -0.15 -0.75 0.00 -1.96 -1.36 119.26 117.32 1o1o h ALA 120 Ca 0.42 -0.38 -0.20 0.00 0.00 0.00 0.00 54.91 54.74 1o1o h ALA 120 Cb 0.51 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1o1o h ALA 120 CO -0.32 0.65 -0.72 0.28 0.00 0.00 0.00 179.25 179.15 1o1o h VAL 121 N 0.77 1.31 -0.31 0.00 2.07 -1.72 -1.03 116.25 117.33 1o1o h VAL 121 Ca 0.10 -1.97 0.07 0.00 0.82 0.00 0.00 66.70 65.72 1o1o h VAL 121 Cb 0.76 1.95 -0.07 0.00 -1.52 0.00 0.00 31.29 32.41 1o1o h VAL 121 CO 0.06 0.62 -0.18 -0.74 0.02 0.00 0.00 177.57 177.35 1o1o h HIS 122 N 0.48 -0.44 -0.74 1.57 6.17 -0.79 0.15 115.15 121.55 1o1o h HIS 122 Ca -0.03 0.04 -0.04 0.00 0.71 0.00 0.00 60.37 61.05 1o1o h HIS 122 Cb 1.32 0.24 -0.03 0.00 2.52 0.00 0.00 27.41 31.46 1o1o h HIS 122 CO 0.07 -0.25 0.32 0.00 0.71 0.00 0.00 177.93 178.78 1o1o h ALA 123 N 1.08 0.96 -0.46 5.26 0.00 -0.84 -0.46 119.26 124.80 1o1o h ALA 123 Ca 0.16 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1o1o h ALA 123 Cb 0.38 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1o1o h ALA 123 CO -0.40 0.56 -0.05 0.77 0.00 0.00 0.00 179.25 180.13 1o1o h SER 124 N 1.06 0.77 -0.39 0.00 0.02 -0.79 -1.27 113.55 112.94 1o1o h SER 124 Ca 0.25 -0.21 -0.14 0.00 -0.84 0.00 0.00 61.79 60.85 1o1o h SER 124 Cb 0.18 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 1o1o h SER 124 CO -0.02 0.87 -0.31 -0.07 -1.14 0.00 0.00 176.83 176.16 1o1o h LEU 125 N 0.73 0.95 -0.90 5.07 3.38 -0.23 -0.31 115.31 124.00 1o1o h LEU 125 Ca 0.13 -0.44 -0.03 0.00 0.09 0.00 0.00 57.88 57.63 1o1o h LEU 125 Cb 0.52 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 1o1o h LEU 125 CO 0.03 1.19 0.44 -0.78 0.09 0.00 0.00 178.44 179.41 1o1o h ASP 126 N 0.72 1.11 -0.50 -0.43 3.58 -0.91 -1.04 116.42 118.95 1o1o h ASP 126 Ca 0.07 -0.12 -0.10 0.00 0.42 0.00 0.00 57.03 57.31 1o1o h ASP 126 Cb 0.89 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.64 1o1o h ASP 126 CO 0.08 0.92 -0.05 0.11 -2.88 0.00 0.00 179.24 177.42 1o1o h LYS 127 N 1.23 0.96 -0.35 0.28 1.57 -0.96 -2.34 116.57 116.95 1o1o h LYS 127 Ca 0.30 -0.31 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1o1o h LYS 127 Cb 0.08 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1o1o h LYS 127 CO -0.04 0.97 0.17 0.35 -0.57 0.00 0.00 179.45 180.34 1o1o h PHE 128 N 0.87 0.50 -0.40 -1.35 3.57 -0.59 -0.93 116.94 118.61 1o1o h PHE 128 Ca 0.15 -0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.55 1o1o h PHE 128 Cb 0.58 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 1o1o h PHE 128 CO 0.04 0.43 -0.07 -0.07 -2.23 0.00 0.00 178.31 176.40 1o1o h LEU 129 N 0.44 0.66 -0.75 0.59 3.38 -1.09 -0.05 115.31 118.49 1o1o h LEU 129 Ca 0.12 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1o1o h LEU 129 Cb 0.11 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1o1o h LEU 129 CO -0.02 0.78 0.29 0.00 0.09 0.00 0.00 178.44 179.58 1o1o h ALA 130 N 1.29 0.98 -0.39 1.53 0.00 -1.17 -0.63 119.26 120.87 1o1o h ALA 130 Ca 0.12 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1o1o h ALA 130 Cb 0.50 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1o1o h ALA 130 CO 0.03 0.62 0.19 0.77 0.00 0.00 0.00 179.25 180.86 1o1o h SER 131 N 1.10 0.51 -0.62 0.00 0.02 -0.16 0.19 113.55 114.58 1o1o h SER 131 Ca 0.25 -0.13 0.03 0.00 -0.84 0.00 0.00 61.79 61.10 1o1o h SER 131 Cb 0.23 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.60 1o1o h SER 131 CO -0.02 0.49 0.39 0.58 -1.14 0.00 0.00 176.83 177.13 1o1o h VAL 132 N 0.49 1.08 -0.50 2.27 2.07 -0.90 -0.74 116.25 120.03 1o1o h VAL 132 Ca 0.13 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 1o1o h VAL 132 Cb 0.12 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 1o1o h VAL 132 CO -0.02 0.14 0.11 0.28 0.02 0.00 0.00 177.57 178.10 1o1o h SER 133 N 0.76 0.77 -0.67 0.57 0.02 -0.67 -0.88 113.55 113.45 1o1o h SER 133 Ca 0.25 -0.24 0.06 0.00 -0.84 0.00 0.00 61.79 61.02 1o1o h SER 133 Cb 0.01 -0.20 -0.06 0.00 0.14 0.00 0.00 62.40 62.29 1o1o h SER 133 CO -0.10 0.81 0.36 0.74 -1.14 0.00 0.00 176.83 177.51 1o1o h THR 134 N 0.69 0.95 -0.38 -2.27 2.02 -0.35 -1.73 112.91 111.84 1o1o h THR 134 Ca 0.16 -0.23 -0.05 0.00 0.77 0.00 0.00 66.41 67.06 1o1o h THR 134 Cb 0.35 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 1o1o h THR 134 CO 0.00 0.12 0.05 0.58 0.37 0.00 0.00 175.52 176.65 1o1o h VAL 135 N 0.66 1.24 0.00 3.16 2.07 -0.55 -1.92 116.25 120.92 1o1o h VAL 135 Ca 0.31 -0.87 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 1o1o h VAL 135 Cb 0.21 1.07 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1o1o h VAL 135 CO -0.20 0.30 -0.04 -0.07 0.02 0.00 0.00 177.57 177.58 1o1o h LEU 136 N 0.48 0.00 -2.38 2.57 3.38 -0.96 -2.41 115.31 115.98 1o1o h LEU 136 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1o1o h LEU 136 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1o1o h LEU 136 CO 0.01 0.04 0.00 0.35 0.09 0.00 0.00 178.44 178.93 1o1o n THR 137 N -3.22 0.63 0.49 0.22 -2.24 -0.67 -4.52 114.28 104.97 1o1o n THR 137 Ca -0.01 -0.81 0.11 0.00 -2.27 0.00 0.00 64.05 61.07 1o1o n THR 137 Cb 0.24 0.81 0.45 0.00 -2.10 0.00 0.00 70.33 69.74 1o1o n THR 137 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1o1o n SER 138 N 0.97 0.54 -0.93 3.42 3.41 -0.75 -2.57 113.62 117.70 1o1o n SER 138 Ca 0.14 0.61 0.08 0.00 -0.26 0.00 0.00 58.87 59.44 1o1o n SER 138 Cb 0.47 -0.73 0.25 0.00 -0.26 0.00 0.00 64.21 63.93 1o1o n SER 138 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1o1o n LYS 139 N -2.07 3.09 0.09 4.33 5.02 -1.26 -4.66 118.16 122.70 1o1o n LYS 139 Ca 0.03 -2.64 0.01 0.00 -2.02 0.00 0.00 58.31 53.69 1o1o n LYS 139 Cb 0.26 -1.71 0.34 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 2.16 0.32 0.00 2.13 -1.99 -1.83 -3.47 116.97 114.30 1o1o h TYR 140 Ca 0.00 -0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.69 1o1o h TYR 140 Cb 1.27 -0.09 0.00 0.00 2.00 0.00 0.00 36.73 39.92 1o1o h TYR 140 CO 0.48 0.45 0.00 2.89 -0.00 0.00 0.00 178.16 181.97