#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cmy n LEU 2 N 0.00 -1.40 -4.94 6.55 4.77 -1.26 -5.08 117.00 115.64 1cmy n LEU 2 Ca 0.00 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.74 1cmy n LEU 2 Cb 0.00 -0.70 0.04 0.00 -2.33 0.00 0.00 43.42 40.43 1cmy n LEU 2 CO 0.00 0.00 0.46 -0.94 -1.33 0.00 0.00 177.39 175.58 1cmy s SER 3 N 0.00 5.40 0.62 -1.43 1.04 -1.26 -4.82 113.70 113.25 1cmy s SER 3 Ca 0.00 0.39 0.30 0.00 0.48 0.00 0.00 55.95 57.13 1cmy s SER 3 Cb 0.00 -1.34 1.65 0.00 0.10 0.00 0.00 66.02 66.43 1cmy s SER 3 CO 0.00 -1.12 2.00 -0.65 0.98 0.00 0.00 173.24 174.45 1cmy h PRO 4 N -0.09 0.00 0.02 4.02 0.11 -1.98 0.44 132.00 134.52 1cmy h PRO 4 Ca -0.45 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 1cmy h PRO 4 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1cmy h PRO 4 CO 0.58 0.00 -0.01 0.00 -0.21 0.00 0.00 178.00 178.36 1cmy h ALA 5 N 1.56 -0.03 -0.05 -0.75 0.00 -1.99 -2.77 119.26 115.23 1cmy h ALA 5 Ca 0.09 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.66 1cmy h ALA 5 Cb 0.71 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.46 1cmy h ALA 5 CO -0.00 -0.07 -0.54 -0.44 0.00 0.00 0.00 179.25 178.20 1cmy h ASP 6 N -0.92 -1.69 -0.97 0.00 3.32 -1.08 -0.97 116.42 114.11 1cmy h ASP 6 Ca -0.00 0.19 0.27 0.00 0.02 0.00 0.00 57.03 57.51 1cmy h ASP 6 Cb 0.74 0.65 -0.14 0.00 0.22 0.00 0.00 39.33 40.80 1cmy h ASP 6 CO 0.00 -0.51 0.51 0.50 -1.72 0.00 0.00 179.24 178.02 1cmy h LYS 7 N -0.64 0.40 -0.27 3.56 3.64 -0.41 0.83 116.57 123.67 1cmy h LYS 7 Ca 0.02 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 1cmy h LYS 7 Cb 0.71 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.43 1cmy h LYS 7 CO -0.39 0.26 0.01 1.15 -2.27 0.00 0.00 179.45 178.22 1cmy h THR 8 N 0.41 1.25 0.32 1.00 2.02 -0.93 -2.60 112.91 114.38 1cmy h THR 8 Ca 0.65 -0.89 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 1cmy h THR 8 Cb 1.35 1.30 -0.00 0.00 -1.74 0.00 0.00 68.15 69.06 1cmy h THR 8 CO -0.56 0.28 -0.18 0.78 0.37 0.00 0.00 175.52 176.21 1cmy h ASN 9 N 0.26 -0.45 -0.37 4.18 -0.26 0.26 -0.87 115.58 118.33 1cmy h ASN 9 Ca 0.08 0.03 0.05 0.00 -0.56 0.00 0.00 56.30 55.90 1cmy h ASN 9 Cb 0.40 0.13 -0.05 0.00 -1.06 0.00 0.00 38.32 37.74 1cmy h ASN 9 CO 0.01 -0.30 0.09 0.58 -1.06 0.00 0.00 177.43 176.75 1cmy h VAL 10 N -0.47 0.83 0.00 2.81 2.07 -0.97 0.78 116.25 121.30 1cmy h VAL 10 Ca -0.03 -0.08 -0.06 0.00 0.82 0.00 0.00 66.70 67.35 1cmy h VAL 10 Cb 0.39 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1cmy h VAL 10 CO 0.04 0.04 -0.29 0.11 0.02 0.00 0.00 177.57 177.50 1cmy h LYS 11 N 0.22 0.00 0.12 1.57 1.57 -1.40 -2.39 116.57 116.26 1cmy h LYS 11 Ca 0.18 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 1cmy h LYS 11 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1cmy h LYS 11 CO -0.22 0.29 -0.06 0.00 -0.57 0.00 0.00 179.45 178.89 1cmy h ALA 12 N 1.71 -0.16 -0.80 3.86 0.00 -0.07 -2.43 119.26 121.38 1cmy h ALA 12 Ca -0.00 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.70 1cmy h ALA 12 Cb 0.56 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 1cmy h ALA 12 CO 0.04 -0.22 0.51 0.00 0.00 0.00 0.00 179.25 179.58 1cmy h ALA 13 N -0.38 1.04 -0.40 0.00 0.00 -0.89 -1.91 119.26 116.71 1cmy h ALA 13 Ca -0.02 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1cmy h ALA 13 Cb 0.52 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1cmy h ALA 13 CO 0.03 0.33 -0.11 2.35 0.00 0.00 0.00 179.25 181.85 1cmy h TRP 14 N 1.00 0.88 -0.65 0.00 2.91 -1.55 0.74 115.95 119.28 1cmy h TRP 14 Ca 0.32 -0.19 0.13 0.00 1.13 0.00 0.00 58.89 60.27 1cmy h TRP 14 Cb -0.00 -0.21 -0.10 0.00 -0.51 0.00 0.00 29.16 28.34 1cmy h TRP 14 CO -0.03 0.91 0.12 0.78 -1.03 0.00 0.00 178.44 179.19 1cmy h GLY 15 N 0.60 0.83 0.93 2.65 0.00 -0.97 0.31 103.07 107.41 1cmy h GLY 15 Ca 0.10 -0.01 0.02 0.00 0.00 0.00 0.00 47.33 47.45 1cmy h GLY 15 CO 0.04 -0.16 0.58 0.50 0.00 0.00 0.00 176.54 177.50 1cmy h LYS 16 N 0.23 1.12 -0.32 4.80 1.79 -0.85 -3.14 116.57 120.21 1cmy h LYS 16 Ca 0.35 -0.07 0.01 0.00 -2.18 0.00 0.00 60.65 58.76 1cmy h LYS 16 Cb 0.56 -0.25 -0.02 0.00 -1.58 0.00 0.00 32.23 30.94 1cmy h LYS 16 CO -0.47 0.74 0.20 0.28 -1.08 0.00 0.00 179.45 179.13 1cmy h VAL 17 N 1.16 1.07 0.00 0.50 2.07 0.20 -3.48 116.25 117.77 1cmy h VAL 17 Ca 0.34 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.72 1cmy h VAL 17 Cb -0.05 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1cmy h VAL 17 CO -0.10 0.08 0.00 0.61 0.02 0.00 0.00 177.57 178.18 1cmy n GLY 18 N -1.18 1.49 0.32 2.17 0.00 -0.84 -3.01 105.19 104.14 1cmy n GLY 18 Ca -0.01 -0.53 0.14 0.00 0.00 0.00 0.00 46.02 45.62 1cmy n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cmy h ALA 19 N -0.82 1.34 -0.00 4.61 0.00 -1.92 0.17 119.26 122.64 1cmy h ALA 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1cmy h ALA 19 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1cmy h ALA 19 CO 0.00 -0.34 -0.02 0.72 0.00 0.00 0.00 179.25 179.61 1cmy n HIS 20 N -2.79 0.00 -0.13 0.00 8.25 -1.16 -4.07 115.22 115.32 1cmy n HIS 20 Ca -0.02 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.33 1cmy n HIS 20 Cb 0.39 -0.05 -0.07 0.00 1.12 0.00 0.00 29.99 31.39 1cmy n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1cmy h ALA 21 N 3.97 -0.56 -0.77 -1.41 0.00 -1.09 0.34 119.26 119.73 1cmy h ALA 21 Ca 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1cmy h ALA 21 Cb 0.19 0.98 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 1cmy h ALA 21 CO 0.00 -0.94 0.45 0.78 0.00 0.00 0.00 179.25 179.54 1cmy h GLY 22 N -0.36 1.12 0.95 0.00 0.00 -1.83 -0.50 103.07 102.45 1cmy h GLY 22 Ca 0.11 -0.48 0.03 0.00 0.00 0.00 0.00 47.33 46.99 1cmy h GLY 22 CO -0.58 0.46 0.65 0.83 0.00 0.00 0.00 176.54 177.90 1cmy h GLU 23 N 1.06 1.24 0.07 4.80 5.08 -1.22 -2.63 114.58 122.98 1cmy h GLU 23 Ca 0.27 -0.07 -0.25 0.00 -1.00 0.00 0.00 59.36 58.31 1cmy h GLU 23 Cb -0.02 -0.28 -0.00 0.00 0.50 0.00 0.00 28.75 28.95 1cmy h GLU 23 CO -0.05 0.82 -1.10 1.88 -1.00 0.00 0.00 179.01 179.56 1cmy h TYR 24 N 1.28 0.42 -0.05 4.33 0.05 0.32 -3.12 116.97 120.19 1cmy h TYR 24 Ca 0.38 -0.28 -0.00 0.00 0.05 0.00 0.00 58.73 58.88 1cmy h TYR 24 Cb -0.06 -0.03 -0.00 0.00 1.01 0.00 0.00 36.73 37.65 1cmy h TYR 24 CO -0.00 1.17 0.03 0.78 -1.05 0.00 0.00 178.16 179.09 1cmy h GLY 25 N 1.75 0.08 1.58 3.88 0.00 -0.75 -0.67 103.07 108.93 1cmy h GLY 25 Ca -0.09 -0.03 -0.26 0.00 0.00 0.00 0.00 47.33 46.95 1cmy h GLY 25 CO 0.18 0.03 -1.29 0.00 0.00 0.00 0.00 176.54 175.46 1cmy h ALA 26 N 1.96 0.38 -0.15 3.60 0.00 -1.57 -2.97 119.26 120.52 1cmy h ALA 26 Ca 0.02 -1.06 -0.12 0.00 0.00 0.00 0.00 54.91 53.75 1cmy h ALA 26 Cb -0.00 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1cmy h ALA 26 CO -0.00 1.26 -0.42 1.49 0.00 0.00 0.00 179.25 181.57 1cmy h GLU 27 N 0.03 0.34 -0.07 0.00 4.81 -1.28 -2.08 114.58 116.33 1cmy h GLU 27 Ca -0.13 -0.17 -0.00 0.00 -0.13 0.00 0.00 59.36 58.93 1cmy h GLU 27 Cb 1.90 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.28 1cmy h GLU 27 CO 0.14 0.70 0.03 0.00 -0.73 0.00 0.00 179.01 179.15 1cmy h ALA 28 N 1.28 0.08 -0.32 2.92 0.00 -1.18 -0.45 119.26 121.59 1cmy h ALA 28 Ca 0.02 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1cmy h ALA 28 Cb 0.86 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1cmy h ALA 28 CO 0.07 -0.37 0.04 -0.07 0.00 0.00 0.00 179.25 178.92 1cmy h LEU 29 N 0.00 0.53 -0.27 0.00 3.38 -1.40 -1.04 115.31 116.50 1cmy h LEU 29 Ca 0.02 -0.28 0.06 0.00 0.09 0.00 0.00 57.88 57.77 1cmy h LEU 29 Cb 0.10 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 1cmy h LEU 29 CO -0.00 0.67 -0.07 -0.08 0.09 0.00 0.00 178.44 179.05 1cmy h GLU 30 N 0.37 -0.01 -0.94 1.13 4.81 -1.26 0.31 114.58 118.99 1cmy h GLU 30 Ca 0.10 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.36 1cmy h GLU 30 Cb 0.38 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.71 1cmy h GLU 30 CO 0.01 -0.00 0.62 0.00 -0.73 0.00 0.00 179.01 178.90 1cmy h ARG 31 N -0.01 1.17 -0.04 1.92 3.08 -0.96 -2.12 114.38 117.41 1cmy h ARG 31 Ca 0.13 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 1cmy h ARG 31 Cb 0.21 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 1cmy h ARG 31 CO -0.28 0.77 0.02 1.98 -1.07 0.00 0.00 179.97 181.38 1cmy h MET 32 N 1.20 0.07 -0.60 0.04 4.05 0.40 -0.99 114.93 119.10 1cmy h MET 32 Ca 0.37 -0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.77 1cmy h MET 32 Cb -0.03 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 30.73 1cmy h MET 32 CO -0.10 0.22 0.37 0.74 0.23 0.00 0.00 176.91 178.36 1cmy h PHE 33 N -0.10 0.78 0.20 1.39 0.04 -0.15 1.24 116.94 120.33 1cmy h PHE 33 Ca 0.01 0.01 -0.33 0.00 2.80 0.00 0.00 57.97 60.46 1cmy h PHE 33 Cb 0.18 -0.26 0.02 0.00 2.20 0.00 0.00 35.95 38.09 1cmy h PHE 33 CO -0.01 0.51 -1.50 -0.07 -0.60 0.00 0.00 178.31 176.63 1cmy h LEU 34 N 0.82 0.68 0.13 1.54 4.07 -1.33 -3.02 115.31 118.19 1cmy h LEU 34 Ca 0.22 -0.79 -0.29 0.00 0.08 0.00 0.00 57.88 57.10 1cmy h LEU 34 Cb -0.04 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 41.48 1cmy h LEU 34 CO -0.04 1.64 -1.34 0.28 -1.08 0.00 0.00 178.44 177.90 1cmy h SER 35 N 0.12 0.43 -3.02 -0.43 0.02 -1.05 -3.40 113.55 106.22 1cmy h SER 35 Ca -0.25 -0.49 -0.61 0.00 -0.84 0.00 0.00 61.79 59.60 1cmy h SER 35 Cb 2.11 -0.14 -0.40 0.00 0.14 0.00 0.00 62.40 64.11 1cmy h SER 35 CO 0.23 1.39 -0.77 -0.36 -1.14 0.00 0.00 176.83 176.19 1cmy s PHE 36 N -2.64 2.10 -0.18 3.45 0.08 0.42 -4.96 117.98 116.25 1cmy s PHE 36 Ca -0.06 -2.61 0.27 0.00 0.12 0.00 0.00 56.93 54.66 1cmy s PHE 36 Cb 0.07 -1.78 1.25 0.00 -0.57 0.00 0.00 43.02 41.99 1cmy s PHE 36 CO 0.88 -0.73 1.83 -1.35 -0.10 0.00 0.00 175.22 175.74 1cmy h PRO 37 N 6.06 0.00 0.00 0.24 0.11 -1.68 -2.53 132.00 134.20 1cmy h PRO 37 Ca 0.12 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.14 1cmy h PRO 37 Cb 0.88 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.98 1cmy h PRO 37 CO 0.50 0.00 -0.40 1.79 -0.21 0.00 0.00 178.00 179.68 1cmy h THR 38 N 0.00 0.95 -0.20 -1.15 1.35 -1.91 -2.88 112.91 109.07 1cmy h THR 38 Ca 0.00 -1.59 -0.08 0.00 -0.55 0.00 0.00 66.41 64.19 1cmy h THR 38 Cb 0.28 1.96 -0.01 0.00 -1.73 0.00 0.00 68.15 68.64 1cmy h THR 38 CO 0.00 0.39 -0.23 0.71 -0.25 0.00 0.00 175.52 176.15 1cmy h THR 39 N 0.00 1.24 0.00 6.82 1.35 -1.79 -2.68 112.91 117.85 1cmy h THR 39 Ca -0.00 -1.13 0.00 0.00 -0.55 0.00 0.00 66.41 64.72 1cmy h THR 39 Cb 0.92 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 1cmy h THR 39 CO 0.05 0.35 0.29 0.11 -0.25 0.00 0.00 175.52 176.07 1cmy h LYS 40 N 0.32 0.00 -0.03 4.72 1.57 -1.64 -1.63 116.57 119.88 1cmy h LYS 40 Ca 0.05 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1cmy h LYS 40 Cb 0.58 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.89 1cmy h LYS 40 CO 0.04 0.00 0.02 1.15 -0.57 0.00 0.00 179.45 180.09 1cmy h THR 41 N 0.00 0.81 0.00 -0.16 2.02 -1.65 -2.39 112.91 111.55 1cmy h THR 41 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1cmy h THR 41 Cb 0.57 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1cmy h THR 41 CO 0.00 0.00 -0.33 1.88 0.37 0.00 0.00 175.52 177.44 1cmy h TYR 42 N 0.00 0.00 -2.28 3.16 -1.99 -1.55 -3.37 116.97 110.94 1cmy h TYR 42 Ca 0.01 0.00 -0.64 0.00 2.00 0.00 0.00 58.73 60.11 1cmy h TYR 42 Cb 0.06 0.00 -0.39 0.00 2.00 0.00 0.00 36.73 38.40 1cmy h TYR 42 CO 0.00 0.00 -0.29 1.19 -0.00 0.00 0.00 178.16 179.06 1cmy n PHE 43 N -2.95 3.79 0.29 4.88 3.01 -0.90 -4.83 117.46 120.75 1cmy n PHE 43 Ca 0.03 -3.70 0.16 0.00 1.01 0.00 0.00 57.45 54.95 1cmy n PHE 43 Cb 0.54 -0.64 0.61 0.00 -0.01 0.00 0.00 39.48 39.98 1cmy n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1cmy h PRO 44 N 3.26 0.00 -0.38 -1.08 0.13 -1.74 -2.47 132.00 129.72 1cmy h PRO 44 Ca 0.22 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.34 1cmy h PRO 44 Cb 0.47 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.59 1cmy h PRO 44 CO 0.90 0.00 0.01 -2.39 -0.23 0.00 0.00 178.00 176.28 1cmy n HIS 45 N -3.01 1.38 -4.57 1.56 1.44 -1.26 -4.95 115.22 105.82 1cmy n HIS 45 Ca 0.01 -0.84 -0.33 0.00 -2.01 0.00 0.00 57.72 54.54 1cmy n HIS 45 Cb 0.32 -0.40 -0.11 0.00 0.12 0.00 0.00 29.99 29.93 1cmy n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1cmy s PHE 46 N -2.83 2.92 -0.57 -1.40 0.40 -0.93 -5.06 117.98 110.51 1cmy s PHE 46 Ca 0.47 -0.00 -0.24 0.00 -0.60 0.00 0.00 56.93 56.56 1cmy s PHE 46 Cb 0.37 -1.67 0.05 0.00 0.51 0.00 0.00 43.02 42.28 1cmy s PHE 46 CO 0.11 0.35 0.94 0.34 0.70 0.00 0.00 175.22 177.66 1cmy s ASP 47 N -1.03 6.30 -0.04 1.36 2.15 -1.26 -4.86 116.67 119.29 1cmy s ASP 47 Ca 0.14 -0.49 0.07 0.00 0.43 0.00 0.00 52.55 52.70 1cmy s ASP 47 Cb -0.11 -2.43 0.27 0.00 -0.30 0.00 0.00 42.92 40.36 1cmy s ASP 47 CO 0.04 -1.26 1.10 0.18 -0.17 0.00 0.00 175.17 175.06 1cmy n LEU 48 N 7.49 2.06 -4.83 -1.34 4.32 -1.26 -4.24 117.00 119.19 1cmy n LEU 48 Ca 0.00 -1.04 -0.32 0.00 -0.02 0.00 0.00 56.01 54.63 1cmy n LEU 48 Cb 0.47 -0.35 -0.02 0.00 -1.62 0.00 0.00 43.42 41.90 1cmy n LEU 48 CO 0.63 0.38 0.69 -0.94 -1.22 0.00 0.00 177.39 176.94 1cmy s SER 49 N -0.69 6.33 0.00 -1.43 1.04 -1.26 -4.92 113.70 112.77 1cmy s SER 49 Ca 0.20 1.64 0.00 0.00 0.48 0.00 0.00 55.95 58.27 1cmy s SER 49 Cb 0.12 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.73 1cmy s SER 49 CO 0.10 -0.79 0.09 1.57 0.98 0.00 0.00 173.24 175.19 1cmy n HIS 50 N -1.78 0.00 1.07 5.02 -0.00 -1.26 0.82 115.22 119.09 1cmy n HIS 50 Ca 0.07 0.00 0.01 0.00 0.46 0.00 0.00 57.72 58.26 1cmy n HIS 50 Cb 0.54 -0.01 0.05 0.00 -0.12 0.00 0.00 29.99 30.45 1cmy n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1cmy n GLY 51 N -0.62 0.91 3.71 1.57 0.00 -1.26 -4.94 105.19 104.56 1cmy n GLY 51 Ca 0.00 -0.12 -0.59 0.00 0.00 0.00 0.00 46.02 45.31 1cmy n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1cmy n SER 52 N -0.01 2.17 0.23 1.61 2.88 0.24 -4.78 113.62 115.96 1cmy n SER 52 Ca 0.04 1.09 0.15 0.00 -1.33 0.00 0.00 58.87 58.82 1cmy n SER 52 Cb 0.28 -1.10 0.57 0.00 -0.75 0.00 0.00 64.21 63.21 1cmy n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1cmy h ALA 53 N 6.76 1.00 0.03 -1.46 0.00 -1.88 0.43 119.26 124.13 1cmy h ALA 53 Ca -0.46 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 1cmy h ALA 53 Cb 1.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1cmy h ALA 53 CO 0.95 0.00 -0.01 1.96 0.00 0.00 0.00 179.25 182.15 1cmy h GLN 54 N 0.00 -0.04 -0.70 0.00 4.20 -1.86 0.47 115.11 117.19 1cmy h GLN 54 Ca 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1cmy h GLN 54 Cb 0.55 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.30 1cmy h GLN 54 CO 0.00 0.43 0.36 0.28 -0.67 0.00 0.00 178.83 179.23 1cmy h VAL 55 N -0.52 1.21 -0.08 -0.54 2.07 -1.65 -0.89 116.25 115.85 1cmy h VAL 55 Ca -0.00 -0.57 0.03 0.00 0.82 0.00 0.00 66.70 66.98 1cmy h VAL 55 Cb 0.49 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 1cmy h VAL 55 CO 0.01 0.25 -0.11 0.50 0.02 0.00 0.00 177.57 178.23 1cmy h LYS 56 N 0.98 -0.15 0.00 1.57 1.63 -0.68 -1.59 116.57 118.32 1cmy h LYS 56 Ca 0.24 0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 60.00 1cmy h LYS 56 Cb 0.06 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.72 1cmy h LYS 56 CO -0.04 -0.10 -0.25 0.78 -3.45 0.00 0.00 179.45 176.40 1cmy h GLY 57 N -0.16 0.00 1.32 5.01 0.00 -0.50 -3.13 103.07 105.61 1cmy h GLY 57 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.17 1cmy h GLY 57 CO -0.17 0.00 -0.86 0.84 0.00 0.00 0.00 176.54 176.35 1cmy h HIS 58 N 0.00 0.91 -0.99 5.60 -0.00 -0.62 -2.88 115.15 117.17 1cmy h HIS 58 Ca -0.00 -0.44 0.13 0.00 -0.00 0.00 0.00 60.37 60.07 1cmy h HIS 58 Cb 0.90 -0.12 -0.09 0.00 -0.00 0.00 0.00 27.41 28.10 1cmy h HIS 58 CO 0.00 1.26 0.62 0.78 -0.00 0.00 0.00 177.93 180.59 1cmy h GLY 59 N 0.75 1.60 1.22 5.26 0.00 -1.25 0.25 103.07 110.90 1cmy h GLY 59 Ca -0.07 -0.40 -0.18 0.00 0.00 0.00 0.00 47.33 46.68 1cmy h GLY 59 CO 0.17 0.12 -0.51 0.50 0.00 0.00 0.00 176.54 176.81 1cmy h LYS 60 N 0.92 0.83 0.30 4.80 1.57 -1.58 0.20 116.57 123.61 1cmy h LYS 60 Ca 0.50 -0.51 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1cmy h LYS 60 Cb 0.59 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 1cmy h LYS 60 CO -0.27 1.14 -0.29 0.87 -0.57 0.00 0.00 179.45 180.32 1cmy h LYS 61 N 0.65 -0.60 0.13 3.15 1.57 -0.51 0.93 116.57 121.89 1cmy h LYS 61 Ca 0.02 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1cmy h LYS 61 Cb 1.11 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.54 1cmy h LYS 61 CO 0.11 -0.40 -0.12 0.28 -0.57 0.00 0.00 179.45 178.75 1cmy h VAL 62 N -0.62 0.72 -0.65 0.50 2.07 -0.65 -1.39 116.25 116.22 1cmy h VAL 62 Ca -0.01 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.64 1cmy h VAL 62 Cb 0.57 0.72 -0.10 0.00 -1.52 0.00 0.00 31.29 30.96 1cmy h VAL 62 CO -0.05 0.00 0.13 0.00 0.02 0.00 0.00 177.57 177.66 1cmy h ALA 63 N 0.57 0.77 -0.15 1.67 0.00 -0.27 0.02 119.26 121.87 1cmy h ALA 63 Ca 0.00 0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 1cmy h ALA 63 Cb 0.26 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1cmy h ALA 63 CO -0.03 -0.33 -0.41 -0.44 0.00 0.00 0.00 179.25 178.04 1cmy h ASP 64 N 0.25 0.36 0.48 0.00 3.32 0.12 -1.91 116.42 119.04 1cmy h ASP 64 Ca 0.35 -0.16 -0.09 0.00 0.02 0.00 0.00 57.03 57.15 1cmy h ASP 64 Cb 0.55 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 1cmy h ASP 64 CO -0.45 0.74 -0.45 0.00 -1.72 0.00 0.00 179.24 177.35 1cmy h ALA 65 N 1.28 1.23 0.06 3.45 0.00 0.06 -0.65 119.26 124.69 1cmy h ALA 65 Ca 0.03 -0.41 -0.24 0.00 0.00 0.00 0.00 54.91 54.29 1cmy h ALA 65 Cb 0.85 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1cmy h ALA 65 CO 0.07 0.56 -1.07 -0.07 0.00 0.00 0.00 179.25 178.75 1cmy h LEU 66 N 0.00 0.33 -0.75 0.00 3.38 -0.77 -2.57 115.31 114.93 1cmy h LEU 66 Ca -0.00 -0.32 -0.11 0.00 0.09 0.00 0.00 57.88 57.53 1cmy h LEU 66 Cb 0.81 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1cmy h LEU 66 CO 0.06 1.19 -0.26 0.74 0.09 0.00 0.00 178.44 180.26 1cmy h THR 67 N 0.09 1.27 -0.28 0.22 2.02 -1.01 -1.44 112.91 113.78 1cmy h THR 67 Ca -0.08 -1.35 -0.09 0.00 0.77 0.00 0.00 66.41 65.65 1cmy h THR 67 Cb 1.76 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 69.46 1cmy h THR 67 CO 0.17 0.44 -0.20 -1.13 0.37 0.00 0.00 175.52 175.18 1cmy h ASN 68 N 0.58 0.51 0.35 4.18 -0.73 -1.05 -1.78 115.58 117.64 1cmy h ASN 68 Ca 0.08 -0.16 -0.02 0.00 1.87 0.00 0.00 56.30 58.07 1cmy h ASN 68 Cb 0.74 -0.14 0.00 0.00 0.27 0.00 0.00 38.32 39.20 1cmy h ASN 68 CO 0.06 0.72 -0.17 0.00 -0.37 0.00 0.00 177.43 177.67 1cmy h ALA 69 N 1.33 -0.47 -0.58 1.57 0.00 -1.02 -3.16 119.26 116.93 1cmy h ALA 69 Ca 0.08 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 54.93 1cmy h ALA 69 Cb 0.60 0.18 -0.11 0.00 0.00 0.00 0.00 17.79 18.47 1cmy h ALA 69 CO 0.04 -0.62 -0.13 0.28 0.00 0.00 0.00 179.25 178.82 1cmy h VAL 70 N -0.75 0.43 -2.81 0.00 2.07 -1.16 0.56 116.25 114.59 1cmy h VAL 70 Ca -0.05 -0.00 -0.75 0.00 0.82 0.00 0.00 66.70 66.72 1cmy h VAL 70 Cb 0.51 0.42 -0.21 0.00 -1.52 0.00 0.00 31.29 30.48 1cmy h VAL 70 CO 0.08 0.00 0.80 0.00 0.02 0.00 0.00 177.57 178.47 1cmy s ALA 71 N -6.22 3.98 0.00 1.67 0.00 -0.68 -2.85 121.76 117.66 1cmy s ALA 71 Ca -0.14 -3.28 0.00 0.00 0.00 0.00 0.00 51.96 48.54 1cmy s ALA 71 Cb 0.18 -3.89 0.00 0.00 0.00 0.00 0.00 23.12 19.42 1cmy s ALA 71 CO 0.73 -2.63 0.00 0.72 0.00 0.00 0.00 175.76 174.58 1cmy n HIS 72 N 5.03 0.00 0.28 0.00 -0.00 -1.02 -4.71 115.22 114.80 1cmy n HIS 72 Ca 0.26 0.00 0.18 0.00 -0.00 0.00 0.00 57.72 58.17 1cmy n HIS 72 Cb 0.45 0.00 0.96 0.00 -0.00 0.00 0.00 29.99 31.39 1cmy n HIS 72 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.34 176.10 1cmy h VAL 73 N 0.00 0.22 -0.24 1.59 3.04 0.28 0.65 116.25 121.78 1cmy h VAL 73 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1cmy h VAL 73 Cb 0.00 0.86 0.00 0.00 -2.01 0.00 0.00 31.29 30.14 1cmy h VAL 73 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.03 1cmy n ASP 74 N -3.37 1.58 -2.68 3.17 8.00 -1.26 -4.05 116.55 117.94 1cmy n ASP 74 Ca -0.01 -1.86 -0.06 0.00 0.71 0.00 0.00 54.79 53.57 1cmy n ASP 74 Cb 0.24 -0.16 0.11 0.00 -0.02 0.00 0.00 41.12 41.29 1cmy n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1cmy n ASP 75 N 0.32 -1.76 -0.04 -2.24 2.03 0.22 -5.01 116.55 110.07 1cmy n ASP 75 Ca 0.13 -2.34 -0.08 0.00 0.52 0.00 0.00 54.79 53.01 1cmy n ASP 75 Cb 0.28 0.97 -0.02 0.00 -0.72 0.00 0.00 41.12 41.63 1cmy n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1cmy h MET 76 N 1.78 -0.23 -0.55 -0.67 2.86 -1.44 -2.20 114.93 114.49 1cmy h MET 76 Ca -0.33 0.02 0.06 0.00 -2.06 0.00 0.00 59.70 57.39 1cmy h MET 76 Cb 1.29 0.05 -0.09 0.00 0.06 0.00 0.00 31.60 32.91 1cmy h MET 76 CO -0.10 -0.15 -0.54 -1.35 1.06 0.00 0.00 176.91 175.83 1cmy h PRO 77 N -0.24 -0.28 -0.75 -0.22 0.11 -1.94 0.68 132.00 129.36 1cmy h PRO 77 Ca 0.13 0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.22 1cmy h PRO 77 Cb 0.43 0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.57 1cmy h PRO 77 CO -0.36 -0.19 0.33 -0.97 -0.21 0.00 0.00 178.00 176.60 1cmy h ASN 78 N -0.30 1.00 -0.04 -2.05 -1.24 -1.95 -0.91 115.58 110.09 1cmy h ASN 78 Ca 0.11 -0.13 -0.00 0.00 0.71 0.00 0.00 56.30 56.99 1cmy h ASN 78 Cb 0.56 -0.26 -0.00 0.00 0.73 0.00 0.00 38.32 39.35 1cmy h ASN 78 CO -0.68 0.87 0.02 0.00 -1.29 0.00 0.00 177.43 176.35 1cmy h ALA 79 N 1.28 0.06 -0.56 1.57 0.00 -0.44 -3.07 119.26 118.10 1cmy h ALA 79 Ca 0.26 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1cmy h ALA 79 Cb 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1cmy h ALA 79 CO -0.03 -0.41 0.00 1.28 0.00 0.00 0.00 179.25 180.10 1cmy n LEU 80 N -5.02 4.53 -0.36 0.00 4.77 0.22 -4.65 117.00 116.49 1cmy n LEU 80 Ca -0.06 -2.29 -0.11 0.00 -0.03 0.00 0.00 56.01 53.52 1cmy n LEU 80 Cb 0.07 -0.58 -0.09 0.00 -2.33 0.00 0.00 43.42 40.49 1cmy n LEU 80 CO 0.33 0.70 0.50 0.77 -1.33 0.00 0.00 177.39 178.35 1cmy h SER 81 N 3.64 -2.03 -0.12 -1.43 4.64 -1.06 -0.70 113.55 116.48 1cmy h SER 81 Ca 0.00 0.31 0.04 0.00 -0.47 0.00 0.00 61.79 61.68 1cmy h SER 81 Cb 1.45 0.90 -0.05 0.00 -0.31 0.00 0.00 62.40 64.38 1cmy h SER 81 CO 0.27 -0.27 -0.22 0.00 -0.87 0.00 0.00 176.83 175.74 1cmy h ALA 82 N 0.49 -0.19 0.00 5.18 0.00 -1.85 -2.65 119.26 120.25 1cmy h ALA 82 Ca 0.16 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1cmy h ALA 82 Cb 0.46 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1cmy h ALA 82 CO -0.88 -0.68 -0.03 -0.07 0.00 0.00 0.00 179.25 177.59 1cmy h LEU 83 N -0.28 0.00 -0.39 0.00 3.38 -1.70 -1.74 115.31 114.58 1cmy h LEU 83 Ca 0.10 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.88 1cmy h LEU 83 Cb 0.42 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1cmy h LEU 83 CO -0.28 0.03 -0.67 0.28 0.09 0.00 0.00 178.44 177.89 1cmy h SER 84 N 0.00 0.64 0.31 -0.43 0.02 -0.79 -2.16 113.55 111.14 1cmy h SER 84 Ca -0.00 -0.39 -0.02 0.00 -0.84 0.00 0.00 61.79 60.54 1cmy h SER 84 Cb 0.07 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.42 1cmy h SER 84 CO 0.00 1.14 -0.15 0.44 -1.14 0.00 0.00 176.83 177.12 1cmy h ASP 85 N 0.40 -0.35 0.03 3.07 3.32 -1.26 0.27 116.42 121.90 1cmy h ASP 85 Ca -0.02 -0.10 0.03 0.00 0.02 0.00 0.00 57.03 56.96 1cmy h ASP 85 Cb 1.25 0.09 -0.05 0.00 0.22 0.00 0.00 39.33 40.84 1cmy h ASP 85 CO 0.13 -0.11 -0.36 0.25 -1.72 0.00 0.00 179.24 177.42 1cmy h LEU 86 N -0.60 -1.09 -0.19 1.55 7.12 -1.38 0.44 115.31 121.16 1cmy h LEU 86 Ca -0.04 0.13 -0.13 0.00 0.13 0.00 0.00 57.88 57.97 1cmy h LEU 86 Cb 0.43 0.43 0.00 0.00 -0.53 0.00 0.00 40.66 40.99 1cmy h LEU 86 CO 0.07 -0.43 -0.38 0.45 -0.13 0.00 0.00 178.44 178.02 1cmy h HIS 87 N -0.54 0.74 0.00 1.25 3.86 -1.38 0.88 115.15 119.96 1cmy h HIS 87 Ca 0.05 -0.27 -0.05 0.00 -1.16 0.00 0.00 60.37 58.94 1cmy h HIS 87 Cb 0.61 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.94 1cmy h HIS 87 CO -0.36 1.02 -0.30 0.00 0.86 0.00 0.00 177.93 179.15 1cmy h ALA 88 N 0.59 0.06 0.01 2.45 0.00 -0.46 0.87 119.26 122.78 1cmy h ALA 88 Ca 0.01 -0.58 -0.00 0.00 0.00 0.00 0.00 54.91 54.33 1cmy h ALA 88 Cb 0.98 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1cmy h ALA 88 CO 0.08 0.18 -0.01 1.25 0.00 0.00 0.00 179.25 180.75 1cmy h HIS 89 N -1.00 -0.02 -0.41 0.00 6.17 -1.09 -3.03 115.15 115.76 1cmy h HIS 89 Ca -0.08 -0.00 -0.11 0.00 0.71 0.00 0.00 60.37 60.89 1cmy h HIS 89 Cb 0.90 0.01 -0.01 0.00 2.52 0.00 0.00 27.41 30.83 1cmy h HIS 89 CO 0.18 -0.01 -0.17 -0.22 0.71 0.00 0.00 177.93 178.42 1cmy h LYS 90 N -0.10 0.84 0.00 5.26 3.64 -0.84 -3.32 116.57 122.06 1cmy h LYS 90 Ca -0.00 -0.36 -0.30 0.00 -1.27 0.00 0.00 60.65 58.72 1cmy h LYS 90 Cb 0.01 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.75 1cmy h LYS 90 CO 0.00 0.99 -1.93 1.28 -2.27 0.00 0.00 179.45 177.52 1cmy n LEU 91 N -4.25 0.54 -3.49 5.20 4.77 0.30 -5.00 117.00 115.07 1cmy n LEU 91 Ca -0.01 0.25 -0.24 0.00 -0.03 0.00 0.00 56.01 55.98 1cmy n LEU 91 Cb 0.41 0.27 0.06 0.00 -2.33 0.00 0.00 43.42 41.83 1cmy n LEU 91 CO 0.44 0.39 -0.03 0.54 -1.33 0.00 0.00 177.39 177.41 1cmy n ARG 92 N -2.90 -1.80 -2.69 3.23 5.12 -0.15 -4.92 116.66 112.55 1cmy n ARG 92 Ca -0.22 0.64 -0.42 0.00 -1.93 0.00 0.00 57.85 55.93 1cmy n ARG 92 Cb 1.06 -4.91 -0.04 0.00 -1.16 0.00 0.00 32.46 27.42 1cmy n ARG 92 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1cmy s VAL 93 N -3.44 4.62 0.10 1.55 1.01 0.12 -4.98 120.40 119.38 1cmy s VAL 93 Ca 0.45 2.00 -0.31 0.00 0.00 0.00 0.00 61.98 64.12 1cmy s VAL 93 Cb -0.12 -4.28 -0.09 0.00 0.00 0.00 0.00 36.38 31.89 1cmy s VAL 93 CO 0.81 0.22 1.67 -0.62 0.00 0.00 0.00 175.10 177.17 1cmy s ASP 94 N 0.57 6.57 0.52 3.32 -1.08 -1.26 -4.83 116.67 120.47 1cmy s ASP 94 Ca 0.50 2.56 0.33 0.00 -0.52 0.00 0.00 52.55 55.43 1cmy s ASP 94 Cb -0.23 -2.57 1.47 0.00 -1.46 0.00 0.00 42.92 40.13 1cmy s ASP 94 CO 0.29 -0.89 1.80 1.55 0.52 0.00 0.00 175.17 178.44 1cmy h PRO 95 N 8.04 0.07 -0.34 4.34 0.13 -1.98 -0.01 132.00 142.25 1cmy h PRO 95 Ca -0.43 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.69 1cmy h PRO 95 Cb 1.20 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 1cmy h PRO 95 CO 0.93 0.05 0.18 -0.24 -0.23 0.00 0.00 178.00 178.69 1cmy h VAL 96 N 0.07 1.11 0.00 1.56 3.04 -2.02 -1.93 116.25 118.08 1cmy h VAL 96 Ca 0.56 -0.27 -0.02 0.00 -1.01 0.00 0.00 66.70 65.95 1cmy h VAL 96 Cb 2.09 0.66 -0.00 0.00 -2.01 0.00 0.00 31.29 32.02 1cmy h VAL 96 CO -0.06 0.12 -0.12 0.78 -1.01 0.00 0.00 177.57 177.28 1cmy h ASN 97 N 0.46 0.00 0.64 3.17 -0.26 -1.36 -1.15 115.58 117.08 1cmy h ASN 97 Ca 0.12 0.00 -0.12 0.00 -0.56 0.00 0.00 56.30 55.74 1cmy h ASN 97 Cb 0.02 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.26 1cmy h ASN 97 CO -0.02 0.12 -0.59 -0.26 -1.06 0.00 0.00 177.43 175.62 1cmy h PHE 98 N 0.00 0.00 -0.14 1.19 0.04 -1.47 -0.19 116.94 116.37 1cmy h PHE 98 Ca -0.00 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.58 1cmy h PHE 98 Cb 0.32 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.47 1cmy h PHE 98 CO 0.00 0.59 -0.68 0.87 -0.60 0.00 0.00 178.31 178.49 1cmy h LYS 99 N 0.00 0.57 -0.31 1.51 1.57 -1.28 -1.94 116.57 116.69 1cmy h LYS 99 Ca -0.01 -0.43 -0.13 0.00 -1.87 0.00 0.00 60.65 58.21 1cmy h LYS 99 Cb 1.07 0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.45 1cmy h LYS 99 CO 0.08 1.05 -0.32 -0.07 -0.57 0.00 0.00 179.45 179.61 1cmy h LEU 100 N 0.41 0.82 0.11 2.94 3.38 -1.19 -2.48 115.31 119.30 1cmy h LEU 100 Ca -0.02 -0.47 -0.01 0.00 0.09 0.00 0.00 57.88 57.47 1cmy h LEU 100 Cb 1.26 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1cmy h LEU 100 CO 0.13 1.13 -0.05 0.25 0.09 0.00 0.00 178.44 179.98 1cmy h LEU 101 N 0.53 -0.13 -1.63 1.67 5.85 -1.01 -2.78 115.31 117.80 1cmy h LEU 101 Ca 0.05 -0.31 0.10 0.00 0.84 0.00 0.00 57.88 58.56 1cmy h LEU 101 Cb 0.90 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.93 1cmy h LEU 101 CO 0.08 0.26 0.42 0.28 -0.34 0.00 0.00 178.44 179.13 1cmy h SER 102 N -0.54 0.37 -0.16 1.25 0.02 -1.42 0.20 113.55 113.27 1cmy h SER 102 Ca -0.02 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1cmy h SER 102 Cb 0.43 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 1cmy h SER 102 CO 0.03 0.22 0.04 -0.74 -1.14 0.00 0.00 176.83 175.23 1cmy h HIS 103 N 0.41 0.26 -0.18 3.45 -0.00 -1.36 -1.00 115.15 116.73 1cmy h HIS 103 Ca 0.29 -0.03 -0.08 0.00 -0.00 0.00 0.00 60.37 60.55 1cmy h HIS 103 Cb 0.59 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 27.91 1cmy h HIS 103 CO -0.00 0.39 -0.23 0.00 -0.00 0.00 0.00 177.93 178.09 1cmy h LEU 105 N 0.29 0.59 0.28 0.00 5.85 -0.39 0.13 115.31 122.07 1cmy h LEU 105 Ca 0.05 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 1cmy h LEU 105 Cb 0.58 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.45 1cmy h LEU 105 CO 0.04 0.64 -0.13 -0.07 -0.34 0.00 0.00 178.44 178.58 1cmy h LEU 106 N 0.51 -0.32 -1.28 2.25 3.38 -0.74 -0.12 115.31 119.00 1cmy h LEU 106 Ca 0.13 -0.08 0.20 0.00 0.09 0.00 0.00 57.88 58.22 1cmy h LEU 106 Cb 0.26 0.08 -0.09 0.00 0.09 0.00 0.00 40.66 41.01 1cmy h LEU 106 CO -0.00 -0.12 0.62 0.58 0.09 0.00 0.00 178.44 179.61 1cmy h VAL 107 N -0.51 0.68 -0.08 1.22 2.07 -0.89 0.28 116.25 119.01 1cmy h VAL 107 Ca -0.04 -0.19 -0.20 0.00 0.82 0.00 0.00 66.70 67.09 1cmy h VAL 107 Cb 0.38 0.06 0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1cmy h VAL 107 CO 0.06 0.10 -0.74 0.74 0.02 0.00 0.00 177.57 177.76 1cmy h THR 108 N 0.56 1.32 -0.33 2.57 2.02 -0.62 -1.74 112.91 116.70 1cmy h THR 108 Ca 0.53 -2.01 0.03 0.00 0.77 0.00 0.00 66.41 65.73 1cmy h THR 108 Cb 1.09 2.22 -0.03 0.00 -1.74 0.00 0.00 68.15 69.69 1cmy h THR 108 CO -0.27 0.62 0.12 -0.07 0.37 0.00 0.00 175.52 176.29 1cmy h LEU 109 N 0.30 0.15 -0.76 2.58 4.07 0.98 -2.57 115.31 120.04 1cmy h LEU 109 Ca -0.07 0.03 -0.07 0.00 0.08 0.00 0.00 57.88 57.85 1cmy h LEU 109 Cb 1.39 0.01 -0.03 0.00 1.08 0.00 0.00 40.66 43.12 1cmy h LEU 109 CO 0.15 0.12 0.12 0.00 -1.08 0.00 0.00 178.44 177.75 1cmy h ALA 110 N 1.20 0.98 0.00 1.53 0.00 -0.58 -0.56 119.26 121.83 1cmy h ALA 110 Ca 0.15 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1cmy h ALA 110 Cb 0.11 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1cmy h ALA 110 CO -0.14 0.65 0.00 0.00 0.00 0.00 0.00 179.25 179.75 1cmy n ALA 111 N -2.46 1.90 -0.03 0.00 0.00 -0.66 -3.78 120.51 115.48 1cmy n ALA 111 Ca 0.04 -0.06 -0.03 0.00 0.00 0.00 0.00 53.44 53.39 1cmy n ALA 111 Cb 0.28 -1.33 -0.04 0.00 0.00 0.00 0.00 19.45 18.36 1cmy n ALA 111 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1cmy n HIS 112 N -1.55 0.00 -3.41 0.00 -0.00 -1.00 -4.86 115.22 104.40 1cmy n HIS 112 Ca 0.05 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.50 1cmy n HIS 112 Cb 0.24 -0.28 -0.08 0.00 -0.00 0.00 0.00 29.99 29.87 1cmy n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1cmy n LEU 113 N -2.28 3.14 0.25 2.41 4.77 -0.25 -4.89 117.00 120.16 1cmy n LEU 113 Ca -0.10 -5.31 0.08 0.00 -0.03 0.00 0.00 56.01 50.66 1cmy n LEU 113 Cb 0.68 -0.46 0.63 0.00 -2.33 0.00 0.00 43.42 41.93 1cmy n LEU 113 CO 0.11 2.04 1.00 1.55 -1.33 0.00 0.00 177.39 180.77 1cmy h PRO 114 N 4.22 0.00 -0.08 3.23 0.13 -1.83 0.15 132.00 137.83 1cmy h PRO 114 Ca 0.18 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.27 1cmy h PRO 114 Cb 0.70 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.83 1cmy h PRO 114 CO 0.77 0.08 -0.11 0.00 -0.23 0.00 0.00 178.00 178.52 1cmy h ALA 115 N 1.92 0.12 -0.01 -0.56 0.00 -1.93 -3.33 119.26 115.46 1cmy h ALA 115 Ca -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1cmy h ALA 115 Cb 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1cmy h ALA 115 CO 0.01 -0.03 -0.38 0.39 0.00 0.00 0.00 179.25 179.25 1cmy n GLU 116 N -4.65 1.03 -1.82 0.00 -0.58 -1.02 -4.59 120.64 109.00 1cmy n GLU 116 Ca -0.07 -0.75 -0.40 0.00 -0.42 0.00 0.00 57.16 55.51 1cmy n GLU 116 Cb 0.34 -1.48 -0.01 0.00 -0.57 0.00 0.00 31.44 29.72 1cmy n GLU 116 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1cmy n PHE 117 N -0.33 2.72 -1.87 -0.32 7.35 0.50 -4.76 117.46 120.74 1cmy n PHE 117 Ca 0.11 -2.92 -0.31 0.00 -0.76 0.00 0.00 57.45 53.57 1cmy n PHE 117 Cb 0.41 -2.14 0.02 0.00 0.35 0.00 0.00 39.48 38.11 1cmy n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1cmy s THR 118 N 0.65 4.40 0.49 -2.13 -4.23 -1.26 -4.77 115.64 108.80 1cmy s THR 118 Ca 0.55 0.86 0.23 0.00 -1.18 0.00 0.00 61.69 62.15 1cmy s THR 118 Cb 0.16 -3.66 0.40 0.00 1.34 0.00 0.00 72.50 70.74 1cmy s THR 118 CO -0.07 -0.94 1.95 -0.65 -0.54 0.00 0.00 174.62 174.37 1cmy h PRO 119 N -0.19 0.15 0.05 3.99 0.11 -1.98 0.79 132.00 134.91 1cmy h PRO 119 Ca -0.45 -0.01 -0.27 0.00 0.11 0.00 0.00 66.00 65.39 1cmy h PRO 119 Cb 1.20 -0.03 0.02 0.00 0.11 0.00 0.00 31.00 32.29 1cmy h PRO 119 CO 0.60 0.10 -1.10 0.00 -0.21 0.00 0.00 178.00 177.39 1cmy h ALA 120 N 1.67 0.15 -0.00 -0.75 0.00 -1.96 -2.92 119.26 115.44 1cmy h ALA 120 Ca 0.33 -0.74 -0.24 0.00 0.00 0.00 0.00 54.91 54.26 1cmy h ALA 120 Cb 1.09 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.94 1cmy h ALA 120 CO -0.05 0.74 -0.98 0.28 0.00 0.00 0.00 179.25 179.24 1cmy h VAL 121 N 0.29 1.34 -0.83 0.00 2.07 -1.25 -2.80 116.25 115.08 1cmy h VAL 121 Ca -0.14 -2.35 0.07 0.00 0.82 0.00 0.00 66.70 65.10 1cmy h VAL 121 Cb 1.75 2.39 -0.06 0.00 -1.52 0.00 0.00 31.29 33.85 1cmy h VAL 121 CO 0.20 0.71 0.50 -0.74 0.02 0.00 0.00 177.57 178.27 1cmy h HIS 122 N 0.31 0.93 -0.43 1.57 6.17 0.43 0.41 115.15 124.54 1cmy h HIS 122 Ca -0.10 0.03 -0.11 0.00 0.71 0.00 0.00 60.37 60.89 1cmy h HIS 122 Cb 1.63 -0.30 -0.01 0.00 2.52 0.00 0.00 27.41 31.25 1cmy h HIS 122 CO 0.08 0.46 -0.18 0.00 0.71 0.00 0.00 177.93 178.99 1cmy h ALA 123 N 1.41 0.60 -0.15 5.26 0.00 -1.51 -1.84 119.26 123.02 1cmy h ALA 123 Ca 0.37 -0.37 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 1cmy h ALA 123 Cb 0.20 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1cmy h ALA 123 CO -0.19 0.55 -0.56 0.77 0.00 0.00 0.00 179.25 179.82 1cmy h SER 124 N 0.70 0.52 -0.19 0.00 0.02 -1.16 -0.31 113.55 113.14 1cmy h SER 124 Ca 0.10 -0.28 -0.06 0.00 -0.84 0.00 0.00 61.79 60.71 1cmy h SER 124 Cb 0.74 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 63.13 1cmy h SER 124 CO 0.06 0.97 -0.10 -0.07 -1.14 0.00 0.00 176.83 176.56 1cmy h LEU 125 N 0.36 0.41 -0.30 5.07 4.07 -0.89 -0.75 115.31 123.29 1cmy h LEU 125 Ca 0.00 -0.41 0.02 0.00 0.08 0.00 0.00 57.88 57.57 1cmy h LEU 125 Cb 1.09 -0.11 -0.03 0.00 1.08 0.00 0.00 40.66 42.69 1cmy h LEU 125 CO 0.10 0.74 0.14 -0.78 -1.08 0.00 0.00 178.44 177.56 1cmy h ASP 126 N 0.09 0.20 -0.20 -0.43 1.82 -1.25 0.63 116.42 117.29 1cmy h ASP 126 Ca 0.04 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.70 1cmy h ASP 126 Cb 0.58 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.56 1cmy h ASP 126 CO 0.03 0.16 0.13 0.11 -1.61 0.00 0.00 179.24 178.05 1cmy h LYS 127 N 0.30 0.25 -0.05 0.28 1.57 -0.96 -2.16 116.57 115.79 1cmy h LYS 127 Ca 0.12 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.91 1cmy h LYS 127 Cb 0.05 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 1cmy h LYS 127 CO -0.09 0.17 -0.10 0.35 -0.57 0.00 0.00 179.45 179.20 1cmy h PHE 128 N 0.26 -0.26 -0.12 -1.35 3.57 -0.62 -2.45 116.94 115.97 1cmy h PHE 128 Ca 0.07 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 1cmy h PHE 128 Cb -0.03 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 1cmy h PHE 128 CO -0.07 -0.16 0.04 -0.07 -2.23 0.00 0.00 178.31 175.83 1cmy h LEU 129 N -0.15 0.15 -0.68 0.59 3.38 -0.79 -1.24 115.31 116.57 1cmy h LEU 129 Ca 0.06 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 1cmy h LEU 129 Cb 0.23 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1cmy h LEU 129 CO -0.14 0.15 -0.49 0.00 0.09 0.00 0.00 178.44 178.05 1cmy h ALA 130 N 1.88 0.86 0.19 1.53 0.00 -0.98 -1.83 119.26 120.92 1cmy h ALA 130 Ca 0.04 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1cmy h ALA 130 Cb 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1cmy h ALA 130 CO -0.00 0.66 -0.09 0.77 0.00 0.00 0.00 179.25 180.59 1cmy h SER 131 N 0.34 -0.22 -0.45 0.00 0.02 -0.81 -1.06 113.55 111.37 1cmy h SER 131 Ca 0.02 -0.18 0.05 0.00 -0.84 0.00 0.00 61.79 60.84 1cmy h SER 131 Cb 0.98 0.06 -0.04 0.00 0.14 0.00 0.00 62.40 63.53 1cmy h SER 131 CO 0.09 0.06 0.20 0.58 -1.14 0.00 0.00 176.83 176.62 1cmy h VAL 132 N -0.50 0.93 -0.82 2.27 2.07 -1.31 -2.15 116.25 116.73 1cmy h VAL 132 Ca -0.03 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 1cmy h VAL 132 Cb 0.38 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 1cmy h VAL 132 CO 0.04 0.07 0.44 0.28 0.02 0.00 0.00 177.57 178.43 1cmy h SER 133 N 0.41 1.02 0.03 0.57 0.02 -1.25 0.06 113.55 114.41 1cmy h SER 133 Ca 0.20 -0.09 -0.08 0.00 -0.84 0.00 0.00 61.79 60.98 1cmy h SER 133 Cb 0.14 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 1cmy h SER 133 CO -0.17 0.83 -0.24 0.74 -1.14 0.00 0.00 176.83 176.86 1cmy h THR 134 N 1.15 1.25 -0.01 -2.27 2.02 -0.61 -1.80 112.91 112.64 1cmy h THR 134 Ca 0.29 -1.16 -0.03 0.00 0.77 0.00 0.00 66.41 66.28 1cmy h THR 134 Cb 0.04 1.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 1cmy h THR 134 CO -0.05 0.36 -0.13 0.58 0.37 0.00 0.00 175.52 176.66 1cmy h VAL 135 N 0.32 1.55 0.00 3.16 2.07 -1.03 0.36 116.25 122.67 1cmy h VAL 135 Ca 0.05 -1.79 0.00 0.00 0.82 0.00 0.00 66.70 65.78 1cmy h VAL 135 Cb 0.59 2.69 0.00 0.00 -1.52 0.00 0.00 31.29 33.06 1cmy h VAL 135 CO 0.04 0.48 0.00 0.18 0.02 0.00 0.00 177.57 178.29 1cmy n LEU 136 N -4.62 0.12 0.00 2.57 4.77 -0.03 -1.07 117.00 118.74 1cmy n LEU 136 Ca -0.09 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.44 1cmy n LEU 136 Cb 0.43 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1cmy n LEU 136 CO 0.37 -0.56 0.36 0.35 -1.33 0.00 0.00 177.39 176.58 1cmy n THR 137 N -1.65 0.47 1.08 -5.08 -2.24 -0.69 -3.84 114.28 102.34 1cmy n THR 137 Ca 0.00 -0.49 0.11 0.00 -2.27 0.00 0.00 64.05 61.41 1cmy n THR 137 Cb 0.03 0.79 0.57 0.00 -2.10 0.00 0.00 70.33 69.62 1cmy n THR 137 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1cmy n SER 138 N -0.24 0.00 -0.10 3.42 3.41 0.11 -2.00 113.62 118.23 1cmy n SER 138 Ca 0.00 -0.06 0.14 0.00 -0.26 0.00 0.00 58.87 58.69 1cmy n SER 138 Cb 0.36 -0.27 0.67 0.00 -0.26 0.00 0.00 64.21 64.71 1cmy n SER 138 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1cmy n LYS 139 N -1.27 0.72 0.03 4.33 4.81 -1.26 -2.12 118.16 123.40 1cmy n LYS 139 Ca 0.11 -0.20 0.00 0.00 -0.87 0.00 0.00 58.31 57.35 1cmy n LYS 139 Cb 0.18 -1.50 -0.08 0.00 0.02 0.00 0.00 35.03 33.65 1cmy n LYS 139 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1cmy n TYR 140 N -0.97 0.98 1.18 5.64 4.01 -0.85 -4.92 117.16 122.24 1cmy n TYR 140 Ca 0.16 0.32 0.13 0.00 -0.16 0.00 0.00 57.90 58.35 1cmy n TYR 140 Cb 0.26 -1.08 0.25 0.00 -0.31 0.00 0.00 39.34 38.46 1cmy n TYR 140 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94