#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cmy n HIS 2 N 0.00 -1.39 -2.20 6.34 -0.00 -1.26 -4.98 115.22 111.74 1cmy n HIS 2 Ca 0.00 0.25 -0.00 0.00 0.46 0.00 0.00 57.72 58.42 1cmy n HIS 2 Cb 0.00 0.47 -0.00 0.00 -0.12 0.00 0.00 29.99 30.34 1cmy n HIS 2 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1cmy n LEU 3 N -3.13 -1.45 -4.79 0.27 4.77 -1.26 -4.90 117.00 106.52 1cmy n LEU 3 Ca 0.00 1.22 -0.32 0.00 -0.03 0.00 0.00 56.01 56.88 1cmy n LEU 3 Cb 0.00 -1.73 0.05 0.00 -2.33 0.00 0.00 43.42 39.41 1cmy n LEU 3 CO 0.00 -1.88 0.72 0.42 -1.33 0.00 0.00 177.39 175.31 1cmy s THR 4 N -0.08 3.55 0.28 -5.08 -4.23 -1.26 -4.61 115.64 104.22 1cmy s THR 4 Ca -0.01 0.62 -0.00 0.00 -1.18 0.00 0.00 61.69 61.13 1cmy s THR 4 Cb 0.00 -3.18 0.32 0.00 1.34 0.00 0.00 72.50 70.98 1cmy s THR 4 CO 0.02 -0.54 1.63 1.55 -0.54 0.00 0.00 174.62 176.73 1cmy h PRO 5 N -0.32 0.15 0.01 3.99 0.13 -1.98 0.92 132.00 134.89 1cmy h PRO 5 Ca -0.45 -0.01 0.01 0.00 -0.87 0.00 0.00 66.00 64.68 1cmy h PRO 5 Cb 1.23 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1cmy h PRO 5 CO 0.55 0.10 -0.05 1.05 -0.23 0.00 0.00 178.00 179.41 1cmy h GLU 6 N 0.15 -0.09 -0.29 0.86 4.11 -1.99 0.10 114.58 117.43 1cmy h GLU 6 Ca 0.52 0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.96 1cmy h GLU 6 Cb 1.04 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1cmy h GLU 6 CO -0.70 -0.06 0.18 0.93 0.07 0.00 0.00 179.01 179.44 1cmy h GLU 7 N -0.09 0.39 -0.38 1.06 5.08 -0.99 -1.50 114.58 118.16 1cmy h GLU 7 Ca 0.02 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1cmy h GLU 7 Cb 0.11 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1cmy h GLU 7 CO -0.05 0.29 0.17 -0.22 -1.00 0.00 0.00 179.01 178.21 1cmy h LYS 8 N 0.38 0.35 -0.70 2.33 3.11 0.97 0.27 116.57 123.27 1cmy h LYS 8 Ca 0.11 -0.02 0.05 0.00 -2.81 0.00 0.00 60.65 57.97 1cmy h LYS 8 Cb -0.01 -0.08 -0.04 0.00 -1.00 0.00 0.00 32.23 31.10 1cmy h LYS 8 CO -0.02 0.23 0.46 0.66 -2.81 0.00 0.00 179.45 177.97 1cmy h SER 9 N 0.36 0.69 -0.18 4.20 4.64 -0.45 0.37 113.55 123.19 1cmy h SER 9 Ca 0.16 -0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.42 1cmy h SER 9 Cb 0.09 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1cmy h SER 9 CO -0.13 0.47 -0.11 0.00 -0.87 0.00 0.00 176.83 176.19 1cmy h ALA 10 N 1.60 0.25 0.12 5.18 0.00 -0.15 -1.22 119.26 125.04 1cmy h ALA 10 Ca 0.29 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1cmy h ALA 10 Cb 0.14 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1cmy h ALA 10 CO -0.09 0.10 -0.06 0.28 0.00 0.00 0.00 179.25 179.48 1cmy h VAL 11 N 0.06 0.99 -0.14 0.00 2.07 -0.47 -2.58 116.25 116.18 1cmy h VAL 11 Ca 0.04 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 1cmy h VAL 11 Cb 0.61 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 1cmy h VAL 11 CO 0.03 0.10 0.07 0.74 0.02 0.00 0.00 177.57 178.54 1cmy h THR 12 N -0.36 1.11 0.00 2.57 2.02 -1.02 -1.29 112.91 115.95 1cmy h THR 12 Ca -0.02 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 1cmy h THR 12 Cb 0.29 1.05 -0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1cmy h THR 12 CO 0.03 0.10 -0.07 0.00 0.37 0.00 0.00 175.52 175.95 1cmy h ALA 13 N 0.96 1.64 0.00 6.16 0.00 -1.27 -1.89 119.26 124.86 1cmy h ALA 13 Ca 0.05 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1cmy h ALA 13 Cb 0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1cmy h ALA 13 CO -0.01 0.08 -0.37 1.25 0.00 0.00 0.00 179.25 180.20 1cmy h LEU 14 N 0.00 0.00 -2.19 0.00 6.46 -1.08 -3.33 115.31 115.17 1cmy h LEU 14 Ca -0.00 -0.64 0.06 0.00 -0.12 0.00 0.00 57.88 57.18 1cmy h LEU 14 Cb 0.14 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.06 1cmy h LEU 14 CO 0.01 1.04 0.22 -0.25 -0.62 0.00 0.00 178.44 178.83 1cmy h TRP 15 N -1.00 0.00 -0.86 1.25 2.91 -1.17 0.16 115.95 117.24 1cmy h TRP 15 Ca -0.09 0.00 0.01 0.00 1.13 0.00 0.00 58.89 59.94 1cmy h TRP 15 Cb 0.89 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 29.50 1cmy h TRP 15 CO 0.15 0.00 0.57 0.78 -1.03 0.00 0.00 178.44 178.91 1cmy h GLY 16 N 0.00 1.21 1.88 2.65 0.00 -1.45 -2.90 103.07 104.47 1cmy h GLY 16 Ca 0.10 -0.45 -0.21 0.00 0.00 0.00 0.00 47.33 46.77 1cmy h GLY 16 CO -0.00 0.44 -0.97 0.50 0.00 0.00 0.00 176.54 176.50 1cmy h LYS 17 N 1.16 0.09 -6.09 4.80 1.57 -0.82 -3.47 116.57 113.82 1cmy h LYS 17 Ca 0.32 -0.13 -0.78 0.00 -1.87 0.00 0.00 60.65 58.18 1cmy h LYS 17 Cb -0.13 0.04 0.03 0.00 0.08 0.00 0.00 32.23 32.26 1cmy h LYS 17 CO -0.07 0.99 0.55 0.28 -0.57 0.00 0.00 179.45 180.62 1cmy n VAL 18 N -3.50 0.08 -2.61 0.50 0.31 -0.98 -4.88 118.33 107.25 1cmy n VAL 18 Ca -0.02 -0.01 -0.41 0.00 -0.01 0.00 0.00 64.34 63.88 1cmy n VAL 18 Cb 0.89 -0.63 -0.03 0.00 -0.91 0.00 0.00 33.84 33.16 1cmy n VAL 18 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1cmy s ASN 19 N 1.95 6.41 0.59 4.52 3.84 -1.26 -4.86 114.94 126.13 1cmy s ASN 19 Ca 0.96 -1.23 0.30 0.00 0.21 0.00 0.00 52.86 53.10 1cmy s ASN 19 Cb -1.23 -2.54 1.84 0.00 -0.55 0.00 0.00 41.25 38.77 1cmy s ASN 19 CO 0.65 -1.55 2.25 1.62 -2.79 0.00 0.00 177.10 177.29 1cmy h VAL 20 N 6.47 0.50 -0.08 -5.21 3.04 -1.94 -0.73 116.25 118.29 1cmy h VAL 20 Ca 0.05 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.72 1cmy h VAL 20 Cb 1.02 0.99 -0.00 0.00 -2.01 0.00 0.00 31.29 31.29 1cmy h VAL 20 CO 1.35 0.00 -0.01 0.44 -1.01 0.00 0.00 177.57 178.33 1cmy h ASP 21 N 0.00 0.15 -0.01 3.17 3.32 -1.97 -3.39 116.42 117.69 1cmy h ASP 21 Ca 0.01 -0.35 0.00 0.00 0.02 0.00 0.00 57.03 56.70 1cmy h ASP 21 Cb 0.04 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1cmy h ASP 21 CO -0.00 0.46 -0.27 -0.62 -1.72 0.00 0.00 179.24 177.09 1cmy n GLU 22 N -4.81 1.69 0.08 3.56 -0.58 -1.06 -4.59 120.64 114.92 1cmy n GLU 22 Ca -0.07 -0.84 -0.21 0.00 -0.42 0.00 0.00 57.16 55.62 1cmy n GLU 22 Cb 0.22 -1.24 -0.15 0.00 -0.57 0.00 0.00 31.44 29.70 1cmy n GLU 22 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1cmy h VAL 23 N 1.81 1.04 -0.88 2.62 2.07 -1.32 -2.85 116.25 118.74 1cmy h VAL 23 Ca 0.00 -2.63 -0.01 0.00 0.82 0.00 0.00 66.70 64.88 1cmy h VAL 23 Cb 0.52 2.78 -0.04 0.00 -1.52 0.00 0.00 31.29 33.03 1cmy h VAL 23 CO 0.00 0.84 0.52 1.23 0.02 0.00 0.00 177.57 180.17 1cmy h GLY 24 N 1.00 1.28 1.47 2.17 0.00 -1.76 -0.16 103.07 107.07 1cmy h GLY 24 Ca -0.30 -0.55 -0.19 0.00 0.00 0.00 0.00 47.33 46.30 1cmy h GLY 24 CO 0.18 0.53 -0.69 -1.33 0.00 0.00 0.00 176.54 175.23 1cmy h GLY 25 N 1.23 0.58 1.02 4.60 0.00 -1.68 0.09 103.07 108.91 1cmy h GLY 25 Ca 0.31 -0.78 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 1cmy h GLY 25 CO -0.06 0.69 0.48 -2.09 0.00 0.00 0.00 176.54 175.56 1cmy h GLU 26 N 0.37 1.18 0.15 4.80 4.22 -1.12 0.11 114.58 124.30 1cmy h GLU 26 Ca -0.02 -0.13 -0.28 0.00 0.08 0.00 0.00 59.36 59.01 1cmy h GLU 26 Cb 1.26 -0.23 0.03 0.00 0.50 0.00 0.00 28.75 30.31 1cmy h GLU 26 CO 0.13 0.85 -1.19 0.00 -2.18 0.00 0.00 179.01 176.62 1cmy h ALA 27 N 1.26 -0.06 -0.56 2.92 0.00 -0.99 -2.51 119.26 119.31 1cmy h ALA 27 Ca 0.30 -0.77 -0.10 0.00 0.00 0.00 0.00 54.91 54.34 1cmy h ALA 27 Cb 0.01 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1cmy h ALA 27 CO -0.05 0.61 -0.04 1.25 0.00 0.00 0.00 179.25 181.02 1cmy h LEU 28 N 0.11 1.01 -0.05 0.00 6.46 -0.87 -1.83 115.31 120.13 1cmy h LEU 28 Ca -0.19 -0.33 0.00 0.00 -0.12 0.00 0.00 57.88 57.25 1cmy h LEU 28 Cb 1.90 -0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 41.55 1cmy h LEU 28 CO 0.23 1.09 0.02 1.23 -0.62 0.00 0.00 178.44 180.39 1cmy h GLY 29 N 0.90 0.06 2.00 3.75 0.00 -0.85 -2.43 103.07 106.50 1cmy h GLY 29 Ca 0.15 -0.02 -0.04 0.00 0.00 0.00 0.00 47.33 47.42 1cmy h GLY 29 CO 0.04 0.02 -0.20 3.21 0.00 0.00 0.00 176.54 179.60 1cmy h ARG 30 N 0.05 0.00 -0.26 4.80 3.08 -1.33 -1.81 114.38 118.91 1cmy h ARG 30 Ca 0.02 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.88 1cmy h ARG 30 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1cmy h ARG 30 CO -0.01 0.20 -0.58 1.25 -1.07 0.00 0.00 179.97 179.76 1cmy h LEU 31 N 0.00 0.93 -0.67 3.04 5.85 -0.88 0.18 115.31 123.76 1cmy h LEU 31 Ca -0.00 -0.51 -0.11 0.00 0.84 0.00 0.00 57.88 58.09 1cmy h LEU 31 Cb 0.44 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1cmy h LEU 31 CO 0.03 1.30 -0.17 -0.07 -0.34 0.00 0.00 178.44 179.19 1cmy h LEU 32 N 0.63 0.85 -0.00 2.25 3.38 -1.02 0.24 115.31 121.63 1cmy h LEU 32 Ca 0.01 -0.29 -0.14 0.00 0.09 0.00 0.00 57.88 57.55 1cmy h LEU 32 Cb 1.18 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 41.71 1cmy h LEU 32 CO 0.12 1.02 -0.53 0.58 0.09 0.00 0.00 178.44 179.72 1cmy h VAL 33 N 0.75 1.45 0.03 1.22 2.07 -1.28 -3.11 116.25 117.37 1cmy h VAL 33 Ca 0.11 -2.05 -0.18 0.00 0.82 0.00 0.00 66.70 65.41 1cmy h VAL 33 Cb 0.70 2.62 0.02 0.00 -1.52 0.00 0.00 31.29 33.10 1cmy h VAL 33 CO 0.05 0.59 -0.71 0.58 0.02 0.00 0.00 177.57 178.10 1cmy h VAL 34 N -0.17 1.42 -3.27 2.57 2.07 -0.63 -3.38 116.25 114.86 1cmy h VAL 34 Ca -0.07 -2.19 -0.66 0.00 0.82 0.00 0.00 66.70 64.61 1cmy h VAL 34 Cb 1.25 2.68 -0.39 0.00 -1.52 0.00 0.00 31.29 33.31 1cmy h VAL 34 CO 0.11 0.64 -0.42 -0.31 0.02 0.00 0.00 177.57 177.60 1cmy s TYR 35 N -3.08 3.57 0.46 1.57 2.02 0.84 -4.95 117.35 117.79 1cmy s TYR 35 Ca -0.13 -3.14 0.28 0.00 -0.37 0.00 0.00 57.07 53.71 1cmy s TYR 35 Cb 0.03 -2.95 1.55 0.00 -0.40 0.00 0.00 41.96 40.20 1cmy s TYR 35 CO 0.84 -0.67 2.12 -1.35 -1.57 0.00 0.00 175.55 174.92 1cmy h PRO 36 N 5.99 0.00 -0.55 -1.71 0.11 -1.71 -2.60 132.00 131.53 1cmy h PRO 36 Ca 0.09 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.17 1cmy h PRO 36 Cb 0.82 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.91 1cmy h PRO 36 CO 0.75 0.09 0.25 0.11 -0.21 0.00 0.00 178.00 178.99 1cmy h TRP 37 N 0.00 0.77 0.00 0.65 0.09 -1.91 -1.88 115.95 113.67 1cmy h TRP 37 Ca -0.00 -0.03 0.00 0.00 0.09 0.00 0.00 58.89 58.95 1cmy h TRP 37 Cb 0.24 -0.24 0.00 0.00 0.08 0.00 0.00 29.16 29.24 1cmy h TRP 37 CO 0.00 0.58 0.10 1.79 0.09 0.00 0.00 178.44 180.99 1cmy h THR 38 N 0.78 0.00 0.00 0.12 1.35 -1.79 -0.16 112.91 113.21 1cmy h THR 38 Ca 0.19 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.05 1cmy h THR 38 Cb 0.10 0.61 0.00 0.00 -1.73 0.00 0.00 68.15 67.13 1cmy h THR 38 CO -0.02 0.00 0.00 1.56 -0.25 0.00 0.00 175.52 176.81 1cmy h GLN 39 N 0.00 0.00 0.00 4.72 4.20 -1.50 -2.76 115.11 119.77 1cmy h GLN 39 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1cmy h GLN 39 Cb 0.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.97 1cmy h GLN 39 CO 0.00 0.00 0.00 -2.13 -0.67 0.00 0.00 178.83 176.03 1cmy n ARG 40 N -2.48 0.08 0.01 1.46 0.63 -0.07 -1.48 116.66 114.82 1cmy n ARG 40 Ca 0.02 0.43 0.11 0.00 -0.92 0.00 0.00 57.85 57.50 1cmy n ARG 40 Cb 0.30 -1.70 0.09 0.00 0.45 0.00 0.00 32.46 31.60 1cmy n ARG 40 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1cmy n PHE 41 N -1.87 0.11 -2.36 -0.14 3.72 -1.04 -4.31 117.46 111.58 1cmy n PHE 41 Ca 0.01 0.03 -0.15 0.00 -0.05 0.00 0.00 57.45 57.29 1cmy n PHE 41 Cb 0.12 -0.28 0.03 0.00 -0.94 0.00 0.00 39.48 38.42 1cmy n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1cmy n PHE 42 N -1.69 2.22 0.23 1.38 3.72 -0.55 -4.79 117.46 117.99 1cmy n PHE 42 Ca 0.04 -2.30 0.10 0.00 -0.05 0.00 0.00 57.45 55.24 1cmy n PHE 42 Cb 0.37 -0.28 0.57 0.00 -0.94 0.00 0.00 39.48 39.20 1cmy n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1cmy h GLU 43 N 2.40 0.00 -0.21 -1.08 5.08 -1.74 -1.48 114.58 117.54 1cmy h GLU 43 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1cmy h GLU 43 Cb 1.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.63 1cmy h GLU 43 CO 0.56 0.20 0.00 -1.13 -1.00 0.00 0.00 179.01 177.64 1cmy n SER 44 N -3.66 1.58 0.16 1.42 3.41 -1.26 -3.86 113.62 111.41 1cmy n SER 44 Ca -0.01 -1.78 0.12 0.00 -0.26 0.00 0.00 58.87 56.93 1cmy n SER 44 Cb 0.33 -0.13 0.17 0.00 -0.26 0.00 0.00 64.21 64.31 1cmy n SER 44 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1cmy h PHE 45 N 1.97 0.00 0.00 7.33 -1.00 -1.65 -3.50 116.94 120.09 1cmy h PHE 45 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1cmy h PHE 45 Cb 0.44 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.00 1cmy h PHE 45 CO 0.13 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.24 1cmy n GLY 46 N 1.17 0.24 3.64 -1.45 0.00 -1.25 -4.74 105.19 102.80 1cmy n GLY 46 Ca 0.03 -1.91 -0.43 0.00 0.00 0.00 0.00 46.02 43.71 1cmy n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1cmy s ASP 47 N -4.00 6.72 -0.05 1.61 2.15 -1.26 -4.83 116.67 117.01 1cmy s ASP 47 Ca 0.00 1.35 0.14 0.00 0.43 0.00 0.00 52.55 54.47 1cmy s ASP 47 Cb 0.00 -2.54 0.27 0.00 -0.30 0.00 0.00 42.92 40.35 1cmy s ASP 47 CO 0.00 -1.01 1.12 0.18 -0.17 0.00 0.00 175.17 175.29 1cmy n LEU 48 N 7.43 1.14 0.19 -1.34 4.77 -1.26 -4.32 117.00 123.60 1cmy n LEU 48 Ca 0.15 -2.14 0.06 0.00 -0.03 0.00 0.00 56.01 54.05 1cmy n LEU 48 Cb 0.46 -0.15 0.31 0.00 -2.33 0.00 0.00 43.42 41.72 1cmy n LEU 48 CO 0.61 0.60 0.67 -1.28 -1.33 0.00 0.00 177.39 176.66 1cmy h SER 49 N 0.54 0.00 -4.43 -1.43 0.87 -1.90 -3.45 113.55 103.76 1cmy h SER 49 Ca -0.09 0.00 -0.37 0.00 -1.23 0.00 0.00 61.79 60.11 1cmy h SER 49 Cb 1.47 0.00 -0.24 0.00 -0.44 0.00 0.00 62.40 63.19 1cmy h SER 49 CO 0.04 0.37 -0.77 0.42 -0.53 0.00 0.00 176.83 176.36 1cmy s THR 50 N -3.52 0.83 0.54 2.23 -4.23 -1.26 -5.02 115.64 105.20 1cmy s THR 50 Ca 0.01 -0.96 0.23 0.00 -1.18 0.00 0.00 61.69 59.79 1cmy s THR 50 Cb 0.10 -0.79 0.35 0.00 1.34 0.00 0.00 72.50 73.50 1cmy s THR 50 CO 0.69 -0.14 2.05 1.55 -0.54 0.00 0.00 174.62 178.24 1cmy h PRO 51 N 4.86 0.00 -0.11 3.99 0.13 -1.98 0.47 132.00 139.36 1cmy h PRO 51 Ca -0.36 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.74 1cmy h PRO 51 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1cmy h PRO 51 CO 0.43 0.00 -0.04 -0.44 -0.23 0.00 0.00 178.00 177.72 1cmy h ASP 52 N 0.00 0.23 0.45 1.44 3.32 -1.97 0.67 116.42 120.56 1cmy h ASP 52 Ca 0.16 -0.39 -0.01 0.00 0.02 0.00 0.00 57.03 56.80 1cmy h ASP 52 Cb 0.65 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.13 1cmy h ASP 52 CO -0.00 0.57 -0.07 0.00 -1.72 0.00 0.00 179.24 178.03 1cmy h ALA 53 N 0.67 1.14 0.10 3.45 0.00 -1.20 -1.12 119.26 122.31 1cmy h ALA 53 Ca 0.03 -0.06 -0.26 0.00 0.00 0.00 0.00 54.91 54.62 1cmy h ALA 53 Cb 0.48 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1cmy h ALA 53 CO 0.01 0.08 -1.32 0.28 0.00 0.00 0.00 179.25 178.31 1cmy h VAL 54 N 0.00 1.08 0.00 0.00 2.07 0.39 -3.26 116.25 116.53 1cmy h VAL 54 Ca -0.00 -2.39 0.00 0.00 0.82 0.00 0.00 66.70 65.13 1cmy h VAL 54 Cb 0.31 2.73 0.00 0.00 -1.52 0.00 0.00 31.29 32.81 1cmy h VAL 54 CO 0.01 0.68 0.00 0.24 0.02 0.00 0.00 177.57 178.51 1cmy h MET 55 N -0.38 0.00 -0.10 1.57 2.07 0.67 -3.17 114.93 115.59 1cmy h MET 55 Ca -0.29 0.00 -0.02 0.00 -2.07 0.00 0.00 59.70 57.32 1cmy h MET 55 Cb 1.69 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 31.41 1cmy h MET 55 CO 0.04 0.00 -0.08 0.41 1.07 0.00 0.00 176.91 178.35 1cmy n GLY 56 N 0.72 4.72 3.67 8.32 0.00 -0.45 -4.97 105.19 117.21 1cmy n GLY 56 Ca 0.04 -1.15 -0.39 0.00 0.00 0.00 0.00 46.02 44.52 1cmy n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1cmy s ASN 57 N -2.67 6.60 0.45 1.61 3.84 -1.20 -4.96 114.94 118.62 1cmy s ASN 57 Ca 0.37 0.72 0.16 0.00 0.21 0.00 0.00 52.86 54.32 1cmy s ASN 57 Cb 0.32 -2.30 1.05 0.00 -0.55 0.00 0.00 41.25 39.77 1cmy s ASN 57 CO 0.03 -0.16 1.99 -0.65 -2.79 0.00 0.00 177.10 175.52 1cmy h PRO 58 N 7.33 0.00 -0.25 0.43 0.11 -1.92 -2.12 132.00 135.58 1cmy h PRO 58 Ca -0.35 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.57 1cmy h PRO 58 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1cmy h PRO 58 CO 0.75 0.19 -0.62 0.87 -0.21 0.00 0.00 178.00 178.98 1cmy h LYS 59 N 0.00 0.85 -0.30 1.05 1.79 -1.93 -0.38 116.57 117.65 1cmy h LYS 59 Ca -0.00 -0.59 -0.02 0.00 -2.18 0.00 0.00 60.65 57.87 1cmy h LYS 59 Cb 0.35 0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.08 1cmy h LYS 59 CO 0.02 1.21 0.13 0.28 -1.08 0.00 0.00 179.45 180.02 1cmy h VAL 60 N 0.63 1.17 0.00 0.50 2.07 -1.75 0.58 116.25 119.45 1cmy h VAL 60 Ca -0.01 -0.51 -0.09 0.00 0.82 0.00 0.00 66.70 66.92 1cmy h VAL 60 Cb 1.23 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 1cmy h VAL 60 CO 0.13 0.18 -0.41 0.07 0.02 0.00 0.00 177.57 177.57 1cmy h LYS 61 N 0.34 0.00 0.02 1.57 2.10 -1.39 0.20 116.57 119.42 1cmy h LYS 61 Ca 0.10 0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 58.49 1cmy h LYS 61 Cb 0.16 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.50 1cmy h LYS 61 CO -0.01 0.41 -1.05 0.00 -2.00 0.00 0.00 179.45 176.80 1cmy h ALA 62 N 1.59 0.20 0.08 0.07 0.00 -0.53 -3.18 119.26 117.49 1cmy h ALA 62 Ca -0.00 -0.72 -0.21 0.00 0.00 0.00 0.00 54.91 53.98 1cmy h ALA 62 Cb 0.96 0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.81 1cmy h ALA 62 CO 0.05 0.75 -0.87 1.25 0.00 0.00 0.00 179.25 180.43 1cmy h HIS 63 N 0.30 0.71 -0.31 0.00 -0.00 0.30 -3.26 115.15 112.90 1cmy h HIS 63 Ca -0.12 -0.45 0.09 0.00 -0.00 0.00 0.00 60.37 59.89 1cmy h HIS 63 Cb 1.70 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 29.04 1cmy h HIS 63 CO 0.09 1.30 0.36 0.78 -0.00 0.00 0.00 177.93 180.46 1cmy h GLY 64 N -0.08 0.00 1.28 5.26 0.00 -0.68 -0.36 103.07 108.49 1cmy h GLY 64 Ca -0.13 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 46.94 1cmy h GLY 64 CO 0.17 0.00 -1.02 1.70 0.00 0.00 0.00 176.54 177.39 1cmy h LYS 65 N 0.00 0.65 -0.17 4.80 3.64 -1.59 -2.95 116.57 120.95 1cmy h LYS 65 Ca 0.15 -0.69 -0.11 0.00 -1.27 0.00 0.00 60.65 58.73 1cmy h LYS 65 Cb 0.86 0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.87 1cmy h LYS 65 CO -0.00 1.28 -0.35 0.87 -2.27 0.00 0.00 179.45 178.98 1cmy h LYS 66 N 0.37 0.36 -0.87 1.90 1.79 -1.18 -2.71 116.57 116.23 1cmy h LYS 66 Ca -0.12 -0.16 -0.02 0.00 -2.18 0.00 0.00 60.65 58.17 1cmy h LYS 66 Cb 1.67 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 32.27 1cmy h LYS 66 CO 0.20 0.67 0.46 0.28 -1.08 0.00 0.00 179.45 179.97 1cmy h VAL 67 N 0.31 1.26 -0.06 0.50 2.07 -1.45 -2.34 116.25 116.54 1cmy h VAL 67 Ca 0.04 -0.66 -0.14 0.00 0.82 0.00 0.00 66.70 66.75 1cmy h VAL 67 Cb 0.77 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1cmy h VAL 67 CO 0.06 0.30 -0.60 -0.07 0.02 0.00 0.00 177.57 177.28 1cmy h LEU 68 N 1.23 0.25 0.64 2.57 3.38 -1.33 -3.02 115.31 119.03 1cmy h LEU 68 Ca 0.30 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 1cmy h LEU 68 Cb 0.06 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1cmy h LEU 68 CO -0.05 0.79 -0.47 1.23 0.09 0.00 0.00 178.44 180.04 1cmy h GLY 69 N 1.50 -1.23 -0.06 0.83 0.00 -1.12 0.61 103.07 103.60 1cmy h GLY 69 Ca -0.01 0.53 0.28 0.00 0.00 0.00 0.00 47.33 48.14 1cmy h GLY 69 CO 0.09 -0.40 0.71 0.00 0.00 0.00 0.00 176.54 176.94 1cmy h ALA 70 N -0.91 2.72 -0.07 3.60 0.00 -1.47 0.88 119.26 124.01 1cmy h ALA 70 Ca -0.08 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.63 1cmy h ALA 70 Cb 0.89 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.74 1cmy h ALA 70 CO 0.03 -1.04 -0.72 0.74 0.00 0.00 0.00 179.25 178.27 1cmy h PHE 71 N 0.14 0.85 -0.74 0.00 0.04 -1.03 -0.45 116.94 115.75 1cmy h PHE 71 Ca 0.52 -0.41 -0.06 0.00 2.80 0.00 0.00 57.97 60.81 1cmy h PHE 71 Cb 1.78 -0.11 -0.03 0.00 2.20 0.00 0.00 35.95 39.79 1cmy h PHE 71 CO -0.00 1.23 0.21 0.77 -0.60 0.00 0.00 178.31 179.92 1cmy h SER 72 N 0.23 1.09 0.17 2.17 0.02 0.50 0.67 113.55 118.39 1cmy h SER 72 Ca -0.07 -0.21 0.01 0.00 -0.84 0.00 0.00 61.79 60.68 1cmy h SER 72 Cb 1.37 -0.29 -0.03 0.00 0.14 0.00 0.00 62.40 63.60 1cmy h SER 72 CO 0.14 1.02 -0.30 0.44 -1.14 0.00 0.00 176.83 176.99 1cmy h ASP 73 N 1.11 -0.85 -0.15 3.07 5.19 0.58 -2.68 116.42 122.68 1cmy h ASP 73 Ca 0.24 0.09 -0.06 0.00 -0.62 0.00 0.00 57.03 56.68 1cmy h ASP 73 Cb 0.33 0.31 -0.00 0.00 0.18 0.00 0.00 39.33 40.15 1cmy h ASP 73 CO -0.00 -0.40 -0.14 1.23 -3.12 0.00 0.00 179.24 176.80 1cmy h GLY 74 N -0.55 0.40 0.26 2.75 0.00 -0.87 -3.12 103.07 101.94 1cmy h GLY 74 Ca 0.02 -0.41 0.23 0.00 0.00 0.00 0.00 47.33 47.18 1cmy h GLY 74 CO -0.15 0.37 0.64 -2.00 0.00 0.00 0.00 176.54 175.40 1cmy h LEU 75 N 0.00 0.00 -4.85 3.11 5.85 0.43 0.31 115.31 120.17 1cmy h LEU 75 Ca 0.03 0.00 -0.61 0.00 0.84 0.00 0.00 57.88 58.13 1cmy h LEU 75 Cb 0.67 0.00 -0.40 0.00 0.37 0.00 0.00 40.66 41.30 1cmy h LEU 75 CO 0.04 0.00 -0.51 0.00 -0.34 0.00 0.00 178.44 177.62 1cmy n ALA 76 N -2.60 5.09 -1.56 1.25 0.00 -1.02 -4.48 120.51 117.18 1cmy n ALA 76 Ca 0.17 -4.44 -0.01 0.00 0.00 0.00 0.00 53.44 49.15 1cmy n ALA 76 Cb 0.93 -0.76 -0.01 0.00 0.00 0.00 0.00 19.45 19.61 1cmy n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1cmy n HIS 77 N -0.40 0.00 0.34 0.00 8.25 0.11 -4.96 115.22 118.56 1cmy n HIS 77 Ca 0.38 -0.10 0.22 0.00 -0.26 0.00 0.00 57.72 57.96 1cmy n HIS 77 Cb 0.53 0.29 1.16 0.00 1.12 0.00 0.00 29.99 33.10 1cmy n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1cmy h LEU 78 N 0.00 0.00 0.17 2.41 3.38 -1.69 -2.14 115.31 117.45 1cmy h LEU 78 Ca -0.11 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1cmy h LEU 78 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1cmy h LEU 78 CO -0.06 0.00 -0.08 -0.78 0.09 0.00 0.00 178.44 177.61 1cmy h ASP 79 N 0.00 -0.19 -2.09 -0.43 1.82 -1.93 -3.35 116.42 110.25 1cmy h ASP 79 Ca 0.00 0.01 -0.56 0.00 -0.39 0.00 0.00 57.03 56.09 1cmy h ASP 79 Cb 0.10 0.05 -0.40 0.00 0.68 0.00 0.00 39.33 39.75 1cmy h ASP 79 CO -0.00 -0.14 -0.92 -3.20 -1.61 0.00 0.00 179.24 173.37 1cmy n ASN 80 N -5.19 1.82 0.21 2.28 5.15 -0.84 -4.91 115.26 113.79 1cmy n ASN 80 Ca -0.09 -3.08 0.07 0.00 -0.60 0.00 0.00 54.58 50.89 1cmy n ASN 80 Cb 0.12 -0.64 0.48 0.00 -0.53 0.00 0.00 39.78 39.21 1cmy n ASN 80 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 1cmy h LEU 81 N 3.74 0.00 0.03 1.20 5.85 -1.59 -1.98 115.31 122.56 1cmy h LEU 81 Ca 0.12 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.59 1cmy h LEU 81 Cb 0.79 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.82 1cmy h LEU 81 CO 0.62 0.28 -1.14 0.11 -0.34 0.00 0.00 178.44 177.97 1cmy h LYS 82 N 0.00 0.25 0.77 1.25 6.56 -1.90 -2.87 116.57 120.63 1cmy h LYS 82 Ca -0.00 -0.38 -0.04 0.00 -1.06 0.00 0.00 60.65 59.17 1cmy h LYS 82 Cb 0.64 0.14 0.01 0.00 -0.57 0.00 0.00 32.23 32.44 1cmy h LYS 82 CO 0.04 1.15 -0.37 0.78 -2.06 0.00 0.00 179.45 178.99 1cmy h GLY 83 N 1.72 -1.07 -0.14 3.86 0.00 -1.85 -2.57 103.07 103.02 1cmy h GLY 83 Ca -0.10 0.40 0.21 0.00 0.00 0.00 0.00 47.33 47.84 1cmy h GLY 83 CO 0.18 -0.39 0.42 -0.84 0.00 0.00 0.00 176.54 175.92 1cmy h THR 84 N -1.14 0.52 -0.20 4.70 2.02 -1.46 -2.75 112.91 114.59 1cmy h THR 84 Ca -0.11 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 66.92 1cmy h THR 84 Cb 0.81 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 1cmy h THR 84 CO 0.17 0.08 0.00 0.49 0.37 0.00 0.00 175.52 176.63 1cmy n PHE 85 N -5.00 0.25 -0.25 3.16 3.72 -1.08 -4.62 117.46 113.63 1cmy n PHE 85 Ca 0.22 -0.12 -0.02 0.00 -0.05 0.00 0.00 57.45 57.48 1cmy n PHE 85 Cb 0.64 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.22 1cmy n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1cmy h ALA 86 N 4.39 0.21 -0.65 4.37 0.00 -1.14 0.13 119.26 126.57 1cmy h ALA 86 Ca 0.00 0.24 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 1cmy h ALA 86 Cb 0.77 0.73 -0.03 0.00 0.00 0.00 0.00 17.79 19.26 1cmy h ALA 86 CO 0.00 -0.56 0.25 1.15 0.00 0.00 0.00 179.25 180.09 1cmy h THR 87 N -0.07 1.24 -0.26 0.00 2.02 -1.83 -1.86 112.91 112.14 1cmy h THR 87 Ca 0.30 -0.77 -0.16 0.00 0.77 0.00 0.00 66.41 66.56 1cmy h THR 87 Cb 0.56 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1cmy h THR 87 CO -0.77 0.30 -0.46 -0.07 0.37 0.00 0.00 175.52 174.89 1cmy h LEU 88 N 0.92 0.86 -0.19 2.58 3.38 -1.68 -2.82 115.31 118.36 1cmy h LEU 88 Ca 0.21 -0.53 0.02 0.00 0.09 0.00 0.00 57.88 57.68 1cmy h LEU 88 Cb 0.23 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1cmy h LEU 88 CO -0.02 1.23 0.04 -1.28 0.09 0.00 0.00 178.44 178.51 1cmy h SER 89 N 0.52 0.02 -0.99 -0.43 0.87 -0.69 -1.85 113.55 111.00 1cmy h SER 89 Ca 0.02 0.03 0.11 0.00 -1.23 0.00 0.00 61.79 60.71 1cmy h SER 89 Cb 1.07 0.03 -0.08 0.00 -0.44 0.00 0.00 62.40 62.98 1cmy h SER 89 CO 0.10 0.04 0.62 -0.08 -0.53 0.00 0.00 176.83 176.99 1cmy h GLU 90 N 0.12 0.99 -0.26 2.24 4.81 -1.29 1.38 114.58 122.58 1cmy h GLU 90 Ca 0.09 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.21 1cmy h GLU 90 Cb 0.08 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 1cmy h GLU 90 CO -0.11 0.66 -0.02 1.25 -0.73 0.00 0.00 179.01 180.06 1cmy h LEU 91 N 1.02 0.46 0.04 1.64 5.85 -1.18 -2.61 115.31 120.54 1cmy h LEU 91 Ca 0.48 -0.33 -0.25 0.00 0.84 0.00 0.00 57.88 58.61 1cmy h LEU 91 Cb 0.40 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1cmy h LEU 91 CO -0.24 0.68 -1.26 0.45 -0.34 0.00 0.00 178.44 177.72 1cmy h HIS 92 N 0.23 0.16 0.00 1.25 3.86 -0.85 0.54 115.15 120.34 1cmy h HIS 92 Ca 0.07 -0.12 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 1cmy h HIS 92 Cb 0.46 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.92 1cmy h HIS 92 CO 0.04 1.12 0.00 0.00 0.86 0.00 0.00 177.93 179.95 1cmy n ASP 94 N -0.26 6.99 0.00 0.00 5.68 -0.99 -1.98 116.55 125.99 1cmy n ASP 94 Ca 0.00 -3.77 0.00 0.00 -0.50 0.00 0.00 54.79 50.52 1cmy n ASP 94 Cb 0.00 -1.00 0.00 0.00 -1.14 0.00 0.00 41.12 38.98 1cmy n ASP 94 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1cmy n LYS 95 N -0.37 0.00 -0.03 0.11 4.76 -1.20 -4.91 118.16 116.52 1cmy n LYS 95 Ca 0.49 0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 55.92 1cmy n LYS 95 Cb 0.30 -0.11 -0.07 0.00 -1.84 0.00 0.00 35.03 33.31 1cmy n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1cmy n LEU 96 N -1.43 0.00 -3.85 -0.35 4.77 0.19 -4.95 117.00 111.37 1cmy n LEU 96 Ca 0.00 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.72 1cmy n LEU 96 Cb 0.00 0.12 0.02 0.00 -2.33 0.00 0.00 43.42 41.23 1cmy n LEU 96 CO 0.00 0.12 -0.03 1.41 -1.33 0.00 0.00 177.39 177.56 1cmy n HIS 97 N -2.10 -1.99 -2.90 -1.77 8.25 0.06 -4.92 115.22 109.85 1cmy n HIS 97 Ca -0.09 0.85 -0.42 0.00 -0.26 0.00 0.00 57.72 57.80 1cmy n HIS 97 Cb 0.55 -4.04 -0.04 0.00 1.12 0.00 0.00 29.99 27.57 1cmy n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1cmy s VAL 98 N -3.57 4.76 -0.04 1.59 1.01 -0.02 -4.98 120.40 119.16 1cmy s VAL 98 Ca 0.28 1.31 -0.33 0.00 0.00 0.00 0.00 61.98 63.24 1cmy s VAL 98 Cb -0.14 -4.18 -0.11 0.00 0.00 0.00 0.00 36.38 31.95 1cmy s VAL 98 CO 0.84 -0.25 1.91 -1.22 0.00 0.00 0.00 175.10 176.37 1cmy n TYR 99 N 6.26 2.40 -0.02 5.22 4.02 -1.26 -4.78 117.16 128.99 1cmy n TYR 99 Ca 0.05 -0.13 0.21 0.00 -0.01 0.00 0.00 57.90 58.02 1cmy n TYR 99 Cb 0.48 -2.71 0.45 0.00 -0.02 0.00 0.00 39.34 37.54 1cmy n TYR 99 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1cmy h PRO 100 N 9.60 0.00 0.00 -0.72 0.13 -1.95 0.56 132.00 139.62 1cmy h PRO 100 Ca -0.49 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.59 1cmy h PRO 100 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 1cmy h PRO 100 CO 0.95 0.00 -0.23 1.49 -0.23 0.00 0.00 178.00 179.97 1cmy h GLU 101 N 0.00 0.00 0.00 0.86 4.57 -1.97 -1.69 114.58 116.36 1cmy h GLU 101 Ca 0.31 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.45 1cmy h GLU 101 Cb 2.25 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.84 1cmy h GLU 101 CO -0.00 0.23 -0.23 -0.91 -1.18 0.00 0.00 179.01 176.91 1cmy h ASN 102 N 0.00 0.00 -0.15 1.04 4.21 -0.21 -1.29 115.58 119.18 1cmy h ASN 102 Ca -0.00 0.00 -0.06 0.00 1.21 0.00 0.00 56.30 57.44 1cmy h ASN 102 Cb 0.70 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.89 1cmy h ASN 102 CO 0.03 0.23 -0.09 -0.26 -1.29 0.00 0.00 177.43 176.06 1cmy h PHE 103 N 0.00 0.52 -0.02 1.19 0.04 -1.40 -1.72 116.94 115.54 1cmy h PHE 103 Ca -0.00 -0.07 -0.14 0.00 2.80 0.00 0.00 57.97 60.55 1cmy h PHE 103 Cb 0.55 -0.14 0.01 0.00 2.20 0.00 0.00 35.95 38.56 1cmy h PHE 103 CO 0.00 0.57 -0.55 0.00 -0.60 0.00 0.00 178.31 177.73 1cmy h ARG 104 N 0.46 0.41 0.14 1.51 3.08 -1.28 -3.01 114.38 115.68 1cmy h ARG 104 Ca 0.09 -0.41 0.02 0.00 0.07 0.00 0.00 59.98 59.75 1cmy h ARG 104 Cb 0.44 0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.56 1cmy h ARG 104 CO 0.02 1.07 -0.39 -0.07 -1.07 0.00 0.00 179.97 179.54 1cmy h LEU 105 N -0.10 -1.14 -0.55 3.04 3.38 -1.16 0.90 115.31 119.68 1cmy h LEU 105 Ca -0.06 0.13 0.09 0.00 0.09 0.00 0.00 57.88 58.12 1cmy h LEU 105 Cb 1.25 0.43 -0.10 0.00 0.09 0.00 0.00 40.66 42.32 1cmy h LEU 105 CO 0.11 -0.47 -0.42 0.25 0.09 0.00 0.00 178.44 177.99 1cmy h LEU 106 N -0.63 -1.45 -0.54 1.67 5.85 -1.42 0.28 115.31 119.06 1cmy h LEU 106 Ca 0.02 0.24 0.10 0.00 0.84 0.00 0.00 57.88 59.08 1cmy h LEU 106 Cb 0.66 0.66 -0.11 0.00 0.37 0.00 0.00 40.66 42.24 1cmy h LEU 106 CO -0.22 -0.34 -0.29 1.23 -0.34 0.00 0.00 178.44 178.48 1cmy h GLY 107 N -0.24 -0.02 1.04 3.75 0.00 -1.23 0.47 103.07 106.85 1cmy h GLY 107 Ca 0.18 0.38 -0.05 0.00 0.00 0.00 0.00 47.33 47.84 1cmy h GLY 107 CO -0.67 -0.22 0.26 3.43 0.00 0.00 0.00 176.54 179.35 1cmy h ASN 108 N -0.15 1.04 0.62 0.19 -0.26 0.11 -0.12 115.58 117.00 1cmy h ASN 108 Ca 0.23 -0.19 -0.07 0.00 -0.56 0.00 0.00 56.30 55.71 1cmy h ASN 108 Cb 0.53 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.51 1cmy h ASN 108 CO -0.63 0.95 -0.36 -0.37 -1.06 0.00 0.00 177.43 175.96 1cmy h VAL 109 N 1.07 0.98 -0.27 2.81 -1.51 0.64 0.26 116.25 120.22 1cmy h VAL 109 Ca 0.24 -1.36 -0.13 0.00 -1.23 0.00 0.00 66.70 64.23 1cmy h VAL 109 Cb 0.26 1.79 -0.01 0.00 -2.13 0.00 0.00 31.29 31.20 1cmy h VAL 109 CO -0.01 0.35 -0.36 0.25 -1.23 0.00 0.00 177.57 176.57 1cmy h LEU 110 N 0.00 0.64 -0.51 4.19 6.46 0.89 0.19 115.31 127.18 1cmy h LEU 110 Ca -0.00 -0.27 -0.05 0.00 -0.12 0.00 0.00 57.88 57.43 1cmy h LEU 110 Cb 0.76 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.49 1cmy h LEU 110 CO 0.05 0.94 0.10 0.58 -0.62 0.00 0.00 178.44 179.49 1cmy h VAL 111 N 0.51 1.25 -0.54 1.05 2.07 0.59 -0.85 116.25 120.32 1cmy h VAL 111 Ca 0.05 -0.89 -0.09 0.00 0.82 0.00 0.00 66.70 66.59 1cmy h VAL 111 Cb 0.86 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 1cmy h VAL 111 CO 0.07 0.32 0.00 0.00 0.02 0.00 0.00 177.57 177.99 1cmy h VAL 113 N 0.83 1.26 0.14 0.00 2.07 -0.71 0.91 116.25 120.75 1cmy h VAL 113 Ca 0.15 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 1cmy h VAL 113 Cb 0.53 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1cmy h VAL 113 CO 0.03 0.30 -0.07 -0.07 0.02 0.00 0.00 177.57 177.78 1cmy h LEU 114 N 1.22 -0.16 -1.57 2.57 3.38 -0.93 -0.10 115.31 119.71 1cmy h LEU 114 Ca 0.30 -0.15 0.10 0.00 0.09 0.00 0.00 57.88 58.21 1cmy h LEU 114 Cb 0.07 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1cmy h LEU 114 CO -0.04 0.06 0.43 0.00 0.09 0.00 0.00 178.44 178.97 1cmy h ALA 115 N 0.45 1.96 -0.28 1.53 0.00 -0.67 0.84 119.26 123.08 1cmy h ALA 115 Ca -0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1cmy h ALA 115 Cb 0.30 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1cmy h ALA 115 CO 0.03 -0.09 0.05 1.25 0.00 0.00 0.00 179.25 180.49 1cmy h HIS 116 N 0.48 0.49 0.00 0.00 6.17 0.15 -2.35 115.15 120.09 1cmy h HIS 116 Ca 0.29 -0.07 -0.18 0.00 0.71 0.00 0.00 60.37 61.13 1cmy h HIS 116 Cb 0.51 -0.14 -0.03 0.00 2.52 0.00 0.00 27.41 30.28 1cmy h HIS 116 CO -0.00 0.55 -0.85 0.45 0.71 0.00 0.00 177.93 178.80 1cmy h HIS 117 N 0.28 0.00 0.00 5.26 -0.00 0.25 -3.37 115.15 117.58 1cmy h HIS 117 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.46 1cmy h HIS 117 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.73 1cmy h HIS 117 CO 0.02 0.83 -1.30 1.19 -0.00 0.00 0.00 177.93 178.66 1cmy n PHE 118 N -3.30 0.00 -0.41 2.45 3.72 0.17 -5.06 117.46 115.02 1cmy n PHE 118 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1cmy n PHE 118 Cb 0.87 -0.18 0.00 0.00 -0.94 0.00 0.00 39.48 39.23 1cmy n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1cmy n GLY 119 N 1.42 3.35 0.38 1.37 0.00 -0.89 -1.93 105.19 108.90 1cmy n GLY 119 Ca 0.01 -0.11 0.20 0.00 0.00 0.00 0.00 46.02 46.12 1cmy n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cmy h LYS 120 N 0.00 0.00 0.00 1.61 1.57 -1.97 0.04 116.57 117.82 1cmy h LYS 120 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1cmy h LYS 120 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1cmy h LYS 120 CO 0.00 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.27 1cmy n GLU 121 N -3.94 0.01 -3.17 3.15 1.02 -0.81 -3.43 120.64 113.47 1cmy n GLU 121 Ca 0.08 0.29 -0.38 0.00 -0.02 0.00 0.00 57.16 57.12 1cmy n GLU 121 Cb 0.58 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.48 1cmy n GLU 121 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1cmy n PHE 122 N -1.49 2.86 -1.24 -0.32 7.35 0.00 -4.97 117.46 119.65 1cmy n PHE 122 Ca 0.03 -3.15 -0.31 0.00 -0.76 0.00 0.00 57.45 53.26 1cmy n PHE 122 Cb 0.14 -1.07 0.10 0.00 0.35 0.00 0.00 39.48 39.01 1cmy n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1cmy s THR 123 N -2.58 3.17 0.21 -2.13 -4.23 -1.22 -4.76 115.64 104.09 1cmy s THR 123 Ca 0.33 0.38 -0.12 0.00 -1.18 0.00 0.00 61.69 61.11 1cmy s THR 123 Cb 0.07 -2.86 0.21 0.00 1.34 0.00 0.00 72.50 71.26 1cmy s THR 123 CO 0.05 -0.50 1.65 -0.65 -0.54 0.00 0.00 174.62 174.64 1cmy h PRO 124 N -1.23 0.07 -0.61 3.99 0.11 -1.95 0.13 132.00 132.50 1cmy h PRO 124 Ca -0.45 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 1cmy h PRO 124 Cb 1.24 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 1cmy h PRO 124 CO 0.52 0.04 0.38 -1.35 -0.21 0.00 0.00 178.00 177.38 1cmy h PRO 125 N 0.07 0.82 0.02 1.05 0.11 -1.99 0.30 132.00 132.38 1cmy h PRO 125 Ca 0.32 -0.06 -0.22 0.00 0.11 0.00 0.00 66.00 66.14 1cmy h PRO 125 Cb 0.51 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.43 1cmy h PRO 125 CO -0.57 0.56 -0.97 0.28 -0.21 0.00 0.00 178.00 177.09 1cmy h VAL 126 N 0.84 1.47 -0.09 3.15 2.07 -1.57 -2.82 116.25 119.29 1cmy h VAL 126 Ca 0.22 -2.67 0.01 0.00 0.82 0.00 0.00 66.70 65.08 1cmy h VAL 126 Cb -0.05 2.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.26 1cmy h VAL 126 CO -0.04 0.78 0.03 -0.61 0.02 0.00 0.00 177.57 177.75 1cmy h GLN 127 N 0.14 0.08 -0.29 1.57 4.15 0.35 -0.88 115.11 120.23 1cmy h GLN 127 Ca -0.07 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.33 1cmy h GLN 127 Cb 1.62 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 29.28 1cmy h GLN 127 CO 0.16 0.05 0.12 0.00 -1.93 0.00 0.00 178.83 177.22 1cmy h ALA 128 N 1.06 1.66 -0.53 3.38 0.00 -0.43 0.53 119.26 124.92 1cmy h ALA 128 Ca 0.04 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1cmy h ALA 128 Cb 0.02 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1cmy h ALA 128 CO -0.04 0.27 -0.08 0.00 0.00 0.00 0.00 179.25 179.41 1cmy h ALA 129 N 1.73 0.73 -0.07 0.00 0.00 -1.16 -2.74 119.26 117.75 1cmy h ALA 129 Ca 0.10 -0.33 -0.14 0.00 0.00 0.00 0.00 54.91 54.54 1cmy h ALA 129 Cb 0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1cmy h ALA 129 CO -0.01 0.62 -0.59 1.88 0.00 0.00 0.00 179.25 181.15 1cmy h TYR 130 N 0.87 0.29 -0.48 0.00 0.05 0.23 -2.88 116.97 115.05 1cmy h TYR 130 Ca 0.14 -0.11 -0.02 0.00 0.05 0.00 0.00 58.73 58.79 1cmy h TYR 130 Cb 0.64 -0.05 -0.02 0.00 1.01 0.00 0.00 36.73 38.30 1cmy h TYR 130 CO 0.05 0.76 0.20 1.96 -1.05 0.00 0.00 178.16 180.08 1cmy h GLN 131 N 0.17 0.68 -0.09 4.88 1.08 0.28 -1.53 115.11 120.58 1cmy h GLN 131 Ca -0.00 -0.09 -0.02 0.00 -1.45 0.00 0.00 58.65 57.09 1cmy h GLN 131 Cb 1.08 -0.13 -0.00 0.00 -0.05 0.00 0.00 27.48 28.38 1cmy h GLN 131 CO 0.09 0.55 -0.00 0.87 -0.95 0.00 0.00 178.83 179.39 1cmy h LYS 132 N 0.67 0.16 0.04 1.46 1.57 -1.28 -2.66 116.57 116.53 1cmy h LYS 132 Ca 0.17 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1cmy h LYS 132 Cb 0.12 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1cmy h LYS 132 CO -0.02 0.43 -0.02 0.28 -0.57 0.00 0.00 179.45 179.55 1cmy h VAL 133 N -0.13 1.11 -0.74 0.50 2.07 -1.40 -1.87 116.25 115.80 1cmy h VAL 133 Ca 0.03 -0.47 0.11 0.00 0.82 0.00 0.00 66.70 67.18 1cmy h VAL 133 Cb 0.36 1.42 -0.08 0.00 -1.52 0.00 0.00 31.29 31.48 1cmy h VAL 133 CO 0.01 0.12 0.36 1.62 0.02 0.00 0.00 177.57 179.69 1cmy h VAL 134 N -0.26 0.81 0.00 2.57 3.04 -1.36 -0.28 116.25 120.77 1cmy h VAL 134 Ca -0.01 -0.20 -0.10 0.00 -1.01 0.00 0.00 66.70 65.39 1cmy h VAL 134 Cb 0.24 0.17 -0.01 0.00 -2.01 0.00 0.00 31.29 29.67 1cmy h VAL 134 CO 0.01 0.11 -0.47 0.00 -1.01 0.00 0.00 177.57 176.21 1cmy h ALA 135 N 1.46 0.78 -0.25 3.17 0.00 -1.46 -2.27 119.26 120.69 1cmy h ALA 135 Ca 0.37 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 1cmy h ALA 135 Cb 0.44 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1cmy h ALA 135 CO -0.30 0.58 -0.27 0.78 0.00 0.00 0.00 179.25 180.04 1cmy h GLY 136 N 2.93 0.68 0.91 0.00 0.00 -0.33 -1.67 103.07 105.58 1cmy h GLY 136 Ca -0.00 -0.71 -0.01 0.00 0.00 0.00 0.00 47.33 46.60 1cmy h GLY 136 CO 0.06 0.64 0.10 -2.08 0.00 0.00 0.00 176.54 175.26 1cmy h VAL 137 N 0.34 1.17 0.00 4.60 2.07 -1.08 0.25 116.25 123.60 1cmy h VAL 137 Ca 0.04 -0.51 -0.04 0.00 0.82 0.00 0.00 66.70 67.01 1cmy h VAL 137 Cb 0.83 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 1cmy h VAL 137 CO 0.07 0.17 -0.19 0.00 0.02 0.00 0.00 177.57 177.63 1cmy h ALA 138 N 0.94 1.38 0.00 1.67 0.00 -1.41 -0.56 119.26 121.29 1cmy h ALA 138 Ca 0.08 -0.18 -0.24 0.00 0.00 0.00 0.00 54.91 54.58 1cmy h ALA 138 Cb 0.17 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1cmy h ALA 138 CO -0.01 0.24 -1.30 -0.91 0.00 0.00 0.00 179.25 177.27 1cmy h ASN 139 N 0.00 0.00 -0.34 0.00 2.35 -0.93 -2.75 115.58 113.91 1cmy h ASN 139 Ca -0.00 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.60 1cmy h ASN 139 Cb 0.43 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.79 1cmy h ASN 139 CO 0.03 0.94 -0.35 0.00 -1.65 0.00 0.00 177.43 176.39 1cmy h ALA 140 N 1.06 0.65 0.31 -0.83 0.00 0.19 -3.09 119.26 117.55 1cmy h ALA 140 Ca -0.14 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.32 1cmy h ALA 140 Cb 1.84 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1cmy h ALA 140 CO 0.10 0.67 -0.15 -0.07 0.00 0.00 0.00 179.25 179.80 1cmy h LEU 141 N 0.73 -0.36 -1.01 0.00 3.38 -1.19 -3.04 115.31 113.83 1cmy h LEU 141 Ca 0.07 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1cmy h LEU 141 Cb 0.93 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1cmy h LEU 141 CO 0.09 -0.12 0.00 0.00 0.09 0.00 0.00 178.44 178.50 1cmy n ALA 142 N -2.37 2.62 -0.06 1.53 0.00 -1.04 -3.99 120.51 117.21 1cmy n ALA 142 Ca -0.10 -0.29 -0.04 0.00 0.00 0.00 0.00 53.44 53.01 1cmy n ALA 142 Cb 0.23 -1.01 0.18 0.00 0.00 0.00 0.00 19.45 18.86 1cmy n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1cmy h HIS 143 N 0.74 0.74 0.00 0.00 6.17 -1.44 -2.51 115.15 118.85 1cmy h HIS 143 Ca 0.00 -0.12 0.00 0.00 0.71 0.00 0.00 60.37 60.96 1cmy h HIS 143 Cb 0.49 -0.20 0.00 0.00 2.52 0.00 0.00 27.41 30.23 1cmy h HIS 143 CO 0.15 0.74 0.00 1.17 0.71 0.00 0.00 177.93 180.70 1cmy n LYS 144 N -4.19 0.90 0.00 5.26 0.00 -1.26 -2.35 118.16 116.52 1cmy n LYS 144 Ca 0.01 0.00 0.13 0.00 0.00 0.00 0.00 58.31 58.46 1cmy n LYS 144 Cb 0.33 -1.06 0.36 0.00 0.00 0.00 0.00 35.03 34.66 1cmy n LYS 144 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.40 179.88 1cmy n TYR 145 N -0.56 0.00 1.14 5.64 4.11 -0.95 -4.79 117.16 121.76 1cmy n TYR 145 Ca 0.03 0.00 0.13 0.00 -0.00 0.00 0.00 57.90 58.05 1cmy n TYR 145 Cb 0.01 -0.01 0.22 0.00 -0.00 0.00 0.00 39.34 39.56 1cmy n TYR 145 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.86 177.58