#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cdl n GLU 6 N 0.00 -0.07 0.00 -0.78 4.71 -1.26 -0.73 120.64 122.52 1cdl n GLU 6 Ca 0.00 1.38 0.00 0.00 -0.01 0.00 0.00 57.16 58.53 1cdl n GLU 6 Cb 0.00 -2.38 0.00 0.00 -1.01 0.00 0.00 31.44 28.05 1cdl n GLU 6 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1cdl n GLU 7 N -5.29 0.00 -0.26 3.49 -0.58 -1.26 -0.15 120.64 116.59 1cdl n GLU 7 Ca 0.32 0.43 0.22 0.00 -0.42 0.00 0.00 57.16 57.70 1cdl n GLU 7 Cb 1.08 -1.37 0.55 0.00 -0.57 0.00 0.00 31.44 31.13 1cdl n GLU 7 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1cdl h GLN 8 N 0.00 0.32 0.01 3.49 1.08 -1.86 0.50 115.11 118.65 1cdl h GLN 8 Ca 0.00 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1cdl h GLN 8 Cb 0.00 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.36 1cdl h GLN 8 CO 0.00 0.21 -0.00 0.82 -0.95 0.00 0.00 178.83 178.91 1cdl h ILE 9 N 0.33 1.09 0.00 2.54 1.08 -0.88 -0.39 117.51 121.28 1cdl h ILE 9 Ca 0.50 -0.28 -0.05 0.00 -0.39 0.00 0.00 64.86 64.63 1cdl h ILE 9 Cb 1.37 1.28 -0.01 0.00 -3.07 0.00 0.00 36.82 36.39 1cdl h ILE 9 CO -0.17 0.07 -0.24 0.00 -0.69 0.00 0.00 178.15 177.12 1cdl h ALA 10 N 0.87 1.28 0.60 1.87 0.00 0.32 -1.44 119.26 122.75 1cdl h ALA 10 Ca -0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1cdl h ALA 10 Cb 0.13 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.88 1cdl h ALA 10 CO 0.00 0.30 -0.29 1.49 0.00 0.00 0.00 179.25 180.76 1cdl h GLU 11 N 0.00 -0.77 -1.03 0.00 4.81 -0.07 -1.08 114.58 116.44 1cdl h GLU 11 Ca -0.00 0.05 0.27 0.00 -0.13 0.00 0.00 59.36 59.55 1cdl h GLU 11 Cb 0.55 0.18 -0.07 0.00 0.63 0.00 0.00 28.75 30.03 1cdl h GLU 11 CO 0.03 -0.48 0.69 0.74 -0.73 0.00 0.00 179.01 179.26 1cdl h PHE 12 N -1.15 0.42 -0.00 0.92 0.05 -0.79 0.12 116.94 116.51 1cdl h PHE 12 Ca -0.08 0.01 -0.00 0.00 3.82 0.00 0.00 57.97 61.72 1cdl h PHE 12 Cb 0.65 -0.12 -0.00 0.00 2.00 0.00 0.00 35.95 38.48 1cdl h PHE 12 CO 0.00 0.05 -0.00 -0.22 -0.18 0.00 0.00 178.31 177.97 1cdl h LYS 13 N 0.27 0.00 -0.93 1.51 3.11 -1.10 0.18 116.57 119.60 1cdl h LYS 13 Ca 0.55 -0.00 0.11 0.00 -2.81 0.00 0.00 60.65 58.50 1cdl h LYS 13 Cb 1.64 0.00 -0.07 0.00 -1.00 0.00 0.00 32.23 32.80 1cdl h LYS 13 CO -0.18 0.49 0.60 0.93 -2.81 0.00 0.00 179.45 178.47 1cdl h GLU 14 N -0.48 0.88 -0.15 1.90 4.39 0.50 0.12 114.58 121.74 1cdl h GLU 14 Ca 0.00 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 1cdl h GLU 14 Cb 0.49 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 1cdl h GLU 14 CO 0.00 0.58 0.02 0.00 -1.16 0.00 0.00 179.01 178.45 1cdl h ALA 15 N 1.55 0.20 -0.78 3.43 0.00 -0.88 -2.75 119.26 120.04 1cdl h ALA 15 Ca 0.45 -0.17 0.17 0.00 0.00 0.00 0.00 54.91 55.37 1cdl h ALA 15 Cb 0.48 -0.06 -0.11 0.00 0.00 0.00 0.00 17.79 18.10 1cdl h ALA 15 CO -0.21 -0.13 0.23 0.35 0.00 0.00 0.00 179.25 179.49 1cdl h PHE 16 N 0.03 0.37 0.00 0.00 3.04 0.12 0.33 116.94 120.83 1cdl h PHE 16 Ca 0.05 0.04 -0.02 0.00 3.98 0.00 0.00 57.97 62.02 1cdl h PHE 16 Cb 0.31 -0.04 -0.00 0.00 2.56 0.00 0.00 35.95 38.77 1cdl h PHE 16 CO 0.02 -0.07 -0.10 0.77 -2.02 0.00 0.00 178.31 176.91 1cdl h SER 17 N 0.31 0.00 -0.52 0.41 0.02 -0.59 0.02 113.55 113.21 1cdl h SER 17 Ca 0.45 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.35 1cdl h SER 17 Cb 0.78 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.30 1cdl h SER 17 CO -0.51 0.10 0.14 -0.07 -1.14 0.00 0.00 176.83 175.35 1cdl h LEU 18 N 0.00 0.81 0.06 5.07 3.38 -0.08 -3.26 115.31 121.28 1cdl h LEU 18 Ca -0.00 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 1cdl h LEU 18 Cb 0.27 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1cdl h LEU 18 CO 0.01 0.79 -0.03 -0.26 0.09 0.00 0.00 178.44 179.05 1cdl h PHE 19 N 0.84 -0.07 -0.53 1.13 0.04 -1.00 -3.39 116.94 113.95 1cdl h PHE 19 Ca 0.18 -0.00 -0.49 0.00 2.80 0.00 0.00 57.97 60.46 1cdl h PHE 19 Cb 0.30 0.02 -0.04 0.00 2.20 0.00 0.00 35.95 38.43 1cdl h PHE 19 CO 0.02 0.54 1.66 -3.47 -0.60 0.00 0.00 178.31 176.45 1cdl n ASP 20 N -4.78 3.67 -0.18 2.17 2.03 -0.43 -4.77 116.55 114.26 1cdl n ASP 20 Ca -0.08 -2.78 -0.01 0.00 0.52 0.00 0.00 54.79 52.45 1cdl n ASP 20 Cb 0.31 -1.68 0.09 0.00 -0.72 0.00 0.00 41.12 39.12 1cdl n ASP 20 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1cdl h LYS 21 N 8.66 0.23 0.00 -0.67 1.79 -1.77 -2.16 116.57 122.64 1cdl h LYS 21 Ca 0.33 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.79 1cdl h LYS 21 Cb 0.88 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.48 1cdl h LYS 21 CO 1.40 0.15 0.00 0.38 -1.08 0.00 0.00 179.45 180.30 1cdl h ASP 22 N 0.23 0.00 -1.08 0.86 3.04 -1.92 -3.47 116.42 114.09 1cdl h ASP 22 Ca 0.29 0.00 -0.18 0.00 -3.24 0.00 0.00 57.03 53.89 1cdl h ASP 22 Cb 0.41 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.68 1cdl h ASP 22 CO -0.38 0.00 -0.22 0.61 -2.04 0.00 0.00 179.24 177.21 1cdl n GLY 23 N 0.48 0.26 0.23 7.15 0.00 -0.81 -4.88 105.19 107.62 1cdl n GLY 23 Ca 0.03 -0.54 0.15 0.00 0.00 0.00 0.00 46.02 45.65 1cdl n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1cdl n ASP 24 N 0.34 0.76 0.00 1.61 5.75 -1.26 -4.90 116.55 118.85 1cdl n ASP 24 Ca -0.10 -1.10 0.00 0.00 -0.01 0.00 0.00 54.79 53.57 1cdl n ASP 24 Cb 0.51 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.59 1cdl n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cdl n GLY 25 N 1.15 0.74 3.12 6.12 0.00 -1.26 -5.05 105.19 110.01 1cdl n GLY 25 Ca 0.19 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.10 1cdl n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cdl s THR 26 N -2.75 0.08 -0.38 2.61 -4.23 -1.26 -3.59 115.64 106.12 1cdl s THR 26 Ca 0.00 -0.63 -0.16 0.00 -1.18 0.00 0.00 61.69 59.72 1cdl s THR 26 Cb 0.00 -0.44 0.00 0.00 1.34 0.00 0.00 72.50 73.40 1cdl s THR 26 CO 0.00 -0.35 0.36 -0.63 -0.54 0.00 0.00 174.62 173.47 1cdl s ILE 27 N -1.29 5.17 0.78 2.99 1.01 0.14 -4.72 121.20 125.27 1cdl s ILE 27 Ca -0.14 -0.21 -0.07 0.00 0.00 0.00 0.00 60.65 60.23 1cdl s ILE 27 Cb -0.07 -3.89 0.12 0.00 0.01 0.00 0.00 42.46 38.62 1cdl s ILE 27 CO 0.02 -0.22 1.09 0.42 0.00 0.00 0.00 174.94 176.25 1cdl s THR 28 N 1.97 2.17 0.34 2.92 -4.23 -1.26 -1.63 115.64 115.92 1cdl s THR 28 Ca 0.10 -0.30 0.07 0.00 -1.18 0.00 0.00 61.69 60.38 1cdl s THR 28 Cb -0.17 -2.86 0.12 0.00 1.34 0.00 0.00 72.50 70.92 1cdl s THR 28 CO 0.12 0.00 1.83 0.71 -0.54 0.00 0.00 174.62 176.74 1cdl h THR 29 N -0.84 1.22 -0.53 3.99 1.35 -1.91 -2.52 112.91 113.67 1cdl h THR 29 Ca -0.42 -1.02 -0.11 0.00 -0.55 0.00 0.00 66.41 64.31 1cdl h THR 29 Cb 1.28 1.29 -0.02 0.00 -1.73 0.00 0.00 68.15 68.97 1cdl h THR 29 CO 0.48 0.32 -0.11 0.50 -0.25 0.00 0.00 175.52 176.46 1cdl h LYS 30 N 0.30 1.01 -0.13 4.72 3.64 -1.97 -1.88 116.57 122.26 1cdl h LYS 30 Ca 0.05 -0.38 -0.11 0.00 -1.27 0.00 0.00 60.65 58.95 1cdl h LYS 30 Cb 0.51 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 1cdl h LYS 30 CO 0.03 1.06 -0.39 0.93 -2.27 0.00 0.00 179.45 178.81 1cdl h GLU 31 N 0.88 0.29 -0.18 1.90 5.08 -1.83 -1.61 114.58 119.10 1cdl h GLU 31 Ca 0.13 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1cdl h GLU 31 Cb 0.68 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1cdl h GLU 31 CO 0.05 0.64 -0.06 1.25 -1.00 0.00 0.00 179.01 179.89 1cdl h LEU 32 N 0.24 0.36 -1.49 1.33 5.85 -1.28 -2.33 115.31 118.00 1cdl h LEU 32 Ca 0.02 -0.38 -0.05 0.00 0.84 0.00 0.00 57.88 58.30 1cdl h LEU 32 Cb 0.81 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 1cdl h LEU 32 CO 0.06 0.66 -0.26 1.23 -0.34 0.00 0.00 178.44 179.79 1cdl h GLY 33 N 0.05 0.00 0.76 3.75 0.00 -1.20 -1.62 103.07 104.82 1cdl h GLY 33 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 1cdl h GLY 33 CO 0.02 0.00 -0.24 -0.84 0.00 0.00 0.00 176.54 175.48 1cdl h THR 34 N 0.00 0.43 -0.64 4.70 2.02 -1.03 -0.14 112.91 118.25 1cdl h THR 34 Ca -0.00 -0.37 0.01 0.00 0.77 0.00 0.00 66.41 66.82 1cdl h THR 34 Cb 0.50 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 1cdl h THR 34 CO 0.03 0.05 0.42 0.58 0.37 0.00 0.00 175.52 176.97 1cdl h VAL 35 N -0.91 1.14 0.10 3.16 2.07 -1.35 -0.94 116.25 119.52 1cdl h VAL 35 Ca -0.07 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1cdl h VAL 35 Cb 0.60 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1cdl h VAL 35 CO 0.11 0.15 -0.08 0.24 0.02 0.00 0.00 177.57 178.01 1cdl h MET 36 N 0.84 -0.18 -0.91 1.57 2.86 -1.30 -1.80 114.93 116.01 1cdl h MET 36 Ca 0.24 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.94 1cdl h MET 36 Cb -0.07 0.04 -0.06 0.00 0.06 0.00 0.00 31.60 31.58 1cdl h MET 36 CO -0.07 -0.12 0.59 0.00 1.06 0.00 0.00 176.91 178.38 1cdl h ARG 37 N -0.19 1.06 0.17 1.72 3.08 -0.74 0.35 114.38 119.83 1cdl h ARG 37 Ca -0.00 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.00 1cdl h ARG 37 Cb 0.17 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 1cdl h ARG 37 CO -0.01 0.70 -0.31 0.77 -1.07 0.00 0.00 179.97 180.05 1cdl h SER 38 N 1.09 -0.89 0.00 7.04 0.02 -0.63 -2.17 113.55 118.00 1cdl h SER 38 Ca 0.38 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.42 1cdl h SER 38 Cb 0.11 0.33 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1cdl h SER 38 CO -0.13 -0.41 0.00 0.18 -1.14 0.00 0.00 176.83 175.33 1cdl n LEU 39 N -5.42 2.04 -0.37 5.07 4.77 -0.72 -4.73 117.00 117.64 1cdl n LEU 39 Ca -0.07 -1.00 -0.05 0.00 -0.03 0.00 0.00 56.01 54.86 1cdl n LEU 39 Cb 0.33 -0.36 -0.02 0.00 -2.33 0.00 0.00 43.42 41.04 1cdl n LEU 39 CO 0.24 0.35 -0.05 0.61 -1.33 0.00 0.00 177.39 177.22 1cdl n GLY 40 N 0.82 0.66 3.94 -0.72 0.00 -0.82 -5.00 105.19 104.06 1cdl n GLY 40 Ca 0.00 -0.20 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 1cdl n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1cdl s GLN 41 N -1.89 3.50 -0.40 1.61 -1.52 0.03 -4.98 119.66 116.01 1cdl s GLN 41 Ca 0.00 -0.42 0.09 0.00 -1.95 0.00 0.00 55.36 53.08 1cdl s GLN 41 Cb 0.00 -2.81 0.28 0.00 -0.22 0.00 0.00 33.01 30.25 1cdl s GLN 41 CO 0.00 0.36 0.65 -1.71 -0.25 0.00 0.00 175.29 174.34 1cdl n ASN 42 N -1.01 -0.15 -4.77 5.90 5.15 -1.26 -3.20 115.26 115.91 1cdl n ASN 42 Ca -0.06 -2.90 -0.38 0.00 -0.60 0.00 0.00 54.58 50.65 1cdl n ASN 42 Cb 0.55 -0.21 -0.04 0.00 -0.53 0.00 0.00 39.78 39.56 1cdl n ASN 42 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 1cdl s PRO 43 N -1.21 4.22 0.59 1.20 0.02 -1.26 -5.04 135.00 133.52 1cdl s PRO 43 Ca 0.35 1.64 -0.10 0.00 0.02 0.00 0.00 61.00 62.91 1cdl s PRO 43 Cb 0.23 -2.69 -0.04 0.00 0.02 0.00 0.00 34.50 32.02 1cdl s PRO 43 CO -0.12 -0.12 0.98 0.95 -0.33 0.00 0.00 177.00 178.37 1cdl s THR 44 N -1.51 4.73 0.25 0.99 -4.23 -1.26 -4.85 115.64 109.76 1cdl s THR 44 Ca 0.55 0.80 -0.06 0.00 -1.18 0.00 0.00 61.69 61.80 1cdl s THR 44 Cb -0.26 -3.86 0.29 0.00 1.34 0.00 0.00 72.50 70.02 1cdl s THR 44 CO 0.32 -1.06 1.63 -0.08 -0.54 0.00 0.00 174.62 174.90 1cdl h GLU 45 N -0.12 0.10 -0.13 3.99 4.22 -1.99 -1.14 114.58 119.51 1cdl h GLU 45 Ca -0.45 -0.01 0.04 0.00 0.08 0.00 0.00 59.36 59.03 1cdl h GLU 45 Cb 1.19 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 30.35 1cdl h GLU 45 CO 0.62 0.07 -0.42 0.00 -2.18 0.00 0.00 179.01 177.10 1cdl h ALA 46 N 1.73 -0.58 -0.34 2.92 0.00 -1.99 0.62 119.26 121.61 1cdl h ALA 46 Ca 0.43 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.39 1cdl h ALA 46 Cb 0.77 0.78 -0.06 0.00 0.00 0.00 0.00 17.79 19.28 1cdl h ALA 46 CO -0.68 -0.92 -0.01 0.93 0.00 0.00 0.00 179.25 178.57 1cdl h GLU 47 N -0.49 0.09 -0.88 0.00 5.08 -1.68 -0.41 114.58 116.28 1cdl h GLU 47 Ca 0.08 -0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.52 1cdl h GLU 47 Cb 0.62 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.78 1cdl h GLU 47 CO -0.39 0.06 0.53 -0.07 -1.00 0.00 0.00 179.01 178.13 1cdl h LEU 48 N 0.09 0.79 0.29 1.33 3.38 -0.31 0.33 115.31 121.20 1cdl h LEU 48 Ca 0.17 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 1cdl h LEU 48 Cb 0.23 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1cdl h LEU 48 CO -0.28 0.46 -0.14 1.56 0.09 0.00 0.00 178.44 180.13 1cdl h GLN 49 N 0.90 -0.38 -0.94 1.13 1.08 0.33 -0.98 115.11 116.25 1cdl h GLN 49 Ca 0.41 0.03 0.14 0.00 -1.45 0.00 0.00 58.65 57.78 1cdl h GLN 49 Cb 0.33 0.09 -0.08 0.00 -0.05 0.00 0.00 27.48 27.77 1cdl h GLN 49 CO -0.23 -0.11 0.60 -0.44 -0.95 0.00 0.00 178.83 177.70 1cdl h ASP 50 N -0.63 0.76 -0.11 1.46 3.45 -0.54 0.26 116.42 121.08 1cdl h ASP 50 Ca -0.04 0.05 -0.01 0.00 0.43 0.00 0.00 57.03 57.46 1cdl h ASP 50 Cb 0.45 -0.10 -0.00 0.00 -0.56 0.00 0.00 39.33 39.11 1cdl h ASP 50 CO 0.07 0.39 0.03 0.24 -1.57 0.00 0.00 179.24 178.40 1cdl h MET 51 N 0.81 0.17 0.00 3.56 2.86 -0.17 -1.18 114.93 120.97 1cdl h MET 51 Ca 0.47 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 58.01 1cdl h MET 51 Cb 0.65 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.27 1cdl h MET 51 CO -0.24 0.31 -0.33 0.82 1.06 0.00 0.00 176.91 178.53 1cdl h ILE 52 N -0.01 1.20 -0.04 -1.22 5.03 0.24 -2.85 117.51 119.86 1cdl h ILE 52 Ca 0.04 -1.15 -0.20 0.00 -0.12 0.00 0.00 64.86 63.43 1cdl h ILE 52 Cb 0.21 1.63 -0.00 0.00 -3.03 0.00 0.00 36.82 35.63 1cdl h ILE 52 CO -0.00 0.33 -0.81 0.78 -0.68 0.00 0.00 178.15 177.77 1cdl h ASN 53 N 0.00 0.45 -0.67 1.72 2.35 -0.22 -2.37 115.58 116.84 1cdl h ASN 53 Ca -0.00 -0.32 0.19 0.00 -0.55 0.00 0.00 56.30 55.62 1cdl h ASN 53 Cb 0.60 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.81 1cdl h ASN 53 CO 0.04 1.08 0.51 -0.33 -1.65 0.00 0.00 177.43 177.08 1cdl h GLU 54 N 0.23 0.00 0.00 0.81 3.07 -0.97 -2.80 114.58 114.92 1cdl h GLU 54 Ca -0.05 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 1cdl h GLU 54 Cb 1.40 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.31 1cdl h GLU 54 CO 0.14 0.00 0.00 1.33 -1.40 0.00 0.00 179.01 179.08 1cdl n VAL 55 N -4.21 0.47 -2.74 3.13 0.24 -1.21 -4.94 118.33 109.08 1cdl n VAL 55 Ca 0.13 -0.64 -0.42 0.00 -2.04 0.00 0.00 64.34 61.37 1cdl n VAL 55 Cb 0.76 0.84 -0.03 0.00 -1.47 0.00 0.00 33.84 33.95 1cdl n VAL 55 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1cdl s ASP 56 N -0.47 6.50 0.07 -1.34 3.68 -0.89 -4.84 116.67 119.37 1cdl s ASP 56 Ca 0.00 -1.58 -0.20 0.00 2.13 0.00 0.00 52.55 52.90 1cdl s ASP 56 Cb 0.00 -2.48 -0.10 0.00 -1.45 0.00 0.00 42.92 38.89 1cdl s ASP 56 CO 0.00 -1.34 1.52 0.00 0.13 0.00 0.00 175.17 175.48 1cdl h ALA 57 N 9.39 0.26 -0.01 3.66 0.00 -1.90 -3.07 119.26 127.60 1cdl h ALA 57 Ca 0.10 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1cdl h ALA 57 Cb 1.03 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1cdl h ALA 57 CO 1.26 -0.03 0.00 -0.40 0.00 0.00 0.00 179.25 180.07 1cdl n ASP 58 N -4.71 0.53 -0.62 0.00 5.75 -1.26 -4.86 116.55 111.37 1cdl n ASP 58 Ca -0.04 -2.01 -0.04 0.00 -0.01 0.00 0.00 54.79 52.69 1cdl n ASP 58 Cb 0.22 -0.23 -0.02 0.00 -1.03 0.00 0.00 41.12 40.05 1cdl n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cdl n GLY 59 N 0.29 0.40 0.00 6.12 0.00 -1.16 -4.75 105.19 106.09 1cdl n GLY 59 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1cdl n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1cdl n ASN 60 N 0.72 0.00 0.00 1.61 6.94 -1.26 -4.87 115.26 118.40 1cdl n ASN 60 Ca -0.04 -1.62 0.00 0.00 -0.02 0.00 0.00 54.58 52.90 1cdl n ASN 60 Cb 0.24 -0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.66 1cdl n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1cdl n GLY 61 N 0.31 2.66 3.58 4.83 0.00 -1.26 -4.96 105.19 110.35 1cdl n GLY 61 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1cdl n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cdl s THR 62 N -0.71 2.14 -0.18 2.61 -4.23 -1.26 -4.69 115.64 109.33 1cdl s THR 62 Ca 0.00 -2.12 -0.02 0.00 -1.18 0.00 0.00 61.69 58.37 1cdl s THR 62 Cb 0.00 -2.80 -0.01 0.00 1.34 0.00 0.00 72.50 71.04 1cdl s THR 62 CO 0.00 -0.12 -0.09 -0.51 -0.54 0.00 0.00 174.62 173.36 1cdl s ILE 63 N -2.65 3.10 0.56 2.99 2.07 -0.65 -4.79 121.20 121.83 1cdl s ILE 63 Ca 0.34 -0.61 0.07 0.00 -1.41 0.00 0.00 60.65 59.04 1cdl s ILE 63 Cb 0.06 -2.36 0.07 0.00 0.13 0.00 0.00 42.46 40.36 1cdl s ILE 63 CO 0.17 0.48 0.77 1.51 -1.91 0.00 0.00 174.94 175.96 1cdl s ASP 64 N 1.01 5.13 0.13 4.50 1.47 -1.26 0.26 116.67 127.91 1cdl s ASP 64 Ca -0.01 -0.63 -0.26 0.00 1.18 0.00 0.00 52.55 52.83 1cdl s ASP 64 Cb -0.15 -0.03 -0.04 0.00 -0.34 0.00 0.00 42.92 42.36 1cdl s ASP 64 CO -0.01 -1.27 1.62 0.15 0.68 0.00 0.00 175.17 176.33 1cdl h PHE 65 N 0.17 -0.84 0.00 2.11 3.04 -1.99 -1.22 116.94 118.22 1cdl h PHE 65 Ca -0.34 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.64 1cdl h PHE 65 Cb 1.28 0.38 0.00 0.00 2.56 0.00 0.00 35.95 40.17 1cdl h PHE 65 CO 0.33 -0.39 0.00 -1.00 -2.02 0.00 0.00 178.31 175.23 1cdl h PRO 66 N -0.42 0.00 0.09 6.41 0.13 -1.96 0.40 132.00 136.66 1cdl h PRO 66 Ca 0.08 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.95 1cdl h PRO 66 Cb 0.54 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.67 1cdl h PRO 66 CO -0.29 0.00 -1.15 0.93 -0.23 0.00 0.00 178.00 177.26 1cdl h GLU 67 N 0.00 0.32 0.33 0.86 5.08 -1.68 -2.71 114.58 116.77 1cdl h GLU 67 Ca 0.00 -0.47 -0.02 0.00 -1.00 0.00 0.00 59.36 57.88 1cdl h GLU 67 Cb 0.13 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1cdl h GLU 67 CO 0.00 1.19 -0.16 0.35 -1.00 0.00 0.00 179.01 179.39 1cdl h PHE 68 N 0.12 -0.41 -0.99 4.33 3.57 0.05 -2.13 116.94 121.48 1cdl h PHE 68 Ca -0.12 -0.01 0.20 0.00 3.53 0.00 0.00 57.97 61.57 1cdl h PHE 68 Cb 1.85 0.14 -0.10 0.00 2.79 0.00 0.00 35.95 40.62 1cdl h PHE 68 CO 0.06 -0.07 0.62 1.25 -2.23 0.00 0.00 178.31 177.94 1cdl h LEU 69 N -0.89 0.68 -0.49 0.59 6.46 -0.40 0.66 115.31 121.92 1cdl h LEU 69 Ca -0.05 0.09 -0.05 0.00 -0.12 0.00 0.00 57.88 57.75 1cdl h LEU 69 Cb 0.52 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.40 1cdl h LEU 69 CO 0.07 0.23 0.10 0.74 -0.62 0.00 0.00 178.44 178.97 1cdl h THR 70 N 0.66 1.24 0.72 1.05 2.02 -1.42 0.40 112.91 117.58 1cdl h THR 70 Ca 0.56 -0.88 -0.04 0.00 0.77 0.00 0.00 66.41 66.83 1cdl h THR 70 Cb 1.02 0.87 0.01 0.00 -1.74 0.00 0.00 68.15 68.31 1cdl h THR 70 CO -0.34 0.32 -0.34 -0.03 0.37 0.00 0.00 175.52 175.50 1cdl h MET 71 N 0.68 -0.93 -0.24 6.66 1.85 0.47 -2.57 114.93 120.85 1cdl h MET 71 Ca 0.15 0.06 0.07 0.00 -0.61 0.00 0.00 59.70 59.38 1cdl h MET 71 Cb 0.36 0.21 -0.01 0.00 0.43 0.00 0.00 31.60 32.59 1cdl h MET 71 CO 0.01 -0.60 0.34 0.52 -0.40 0.00 0.00 176.91 176.78 1cdl h MET 72 N -1.18 0.00 0.00 0.39 2.07 0.15 -1.53 114.93 114.83 1cdl h MET 72 Ca -0.10 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.53 1cdl h MET 72 Cb 0.76 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.49 1cdl h MET 72 CO 0.16 0.00 -0.99 0.00 1.07 0.00 0.00 176.91 177.16 1cdl n ALA 73 N -2.22 3.88 -1.61 6.32 0.00 0.14 -5.00 120.51 122.03 1cdl n ALA 73 Ca 0.03 -0.47 -0.41 0.00 0.00 0.00 0.00 53.44 52.59 1cdl n ALA 73 Cb 0.47 -0.91 0.01 0.00 0.00 0.00 0.00 19.45 19.03 1cdl n ALA 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1cdl n ARG 74 N -1.73 1.30 -2.35 0.00 1.74 -0.58 -4.85 116.66 110.19 1cdl n ARG 74 Ca 0.03 0.47 -0.42 0.00 -0.77 0.00 0.00 57.85 57.16 1cdl n ARG 74 Cb 0.39 -2.04 -0.02 0.00 -1.02 0.00 0.00 32.46 29.76 1cdl n ARG 74 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1cdl s LYS 75 N -2.06 3.39 -0.11 5.56 2.47 -1.26 -4.96 119.74 122.77 1cdl s LYS 75 Ca 0.64 0.69 -0.27 0.00 -1.56 0.00 0.00 55.97 55.48 1cdl s LYS 75 Cb -0.54 -4.09 -0.02 0.00 -1.46 0.00 0.00 37.83 31.71 1cdl s LYS 75 CO 0.56 -1.81 0.88 1.41 0.16 0.00 0.00 175.35 176.55 1cdl s MET 76 N 5.32 4.40 0.44 4.03 -2.45 -1.26 -5.02 119.30 124.77 1cdl s MET 76 Ca 0.57 1.15 -0.25 0.00 -1.25 0.00 0.00 55.69 55.92 1cdl s MET 76 Cb -0.12 -3.52 -0.08 0.00 1.25 0.00 0.00 34.83 32.35 1cdl s MET 76 CO 0.28 -0.21 1.38 0.15 1.05 0.00 0.00 175.02 177.68 1cdl s LYS 77 N 1.69 3.74 0.14 4.11 -0.14 -1.26 -4.63 119.74 123.38 1cdl s LYS 77 Ca 0.43 2.32 -0.31 0.00 -1.36 0.00 0.00 55.97 57.04 1cdl s LYS 77 Cb -0.18 -2.66 -0.08 0.00 -1.68 0.00 0.00 37.83 33.24 1cdl s LYS 77 CO 0.17 -0.74 1.56 0.38 -0.76 0.00 0.00 175.35 175.96 1cdl h ASP 78 N 2.37 -1.74 -0.28 2.83 3.04 -1.99 0.72 116.42 121.36 1cdl h ASP 78 Ca -0.50 0.24 0.08 0.00 -3.24 0.00 0.00 57.03 53.60 1cdl h ASP 78 Cb 1.26 0.73 -0.01 0.00 -1.04 0.00 0.00 39.33 40.27 1cdl h ASP 78 CO 0.61 -0.40 0.22 0.71 -2.04 0.00 0.00 179.24 178.34 1cdl h THR 79 N -0.38 0.77 0.08 1.15 1.35 -2.00 -0.61 112.91 113.26 1cdl h THR 79 Ca 0.09 0.00 -0.20 0.00 -0.55 0.00 0.00 66.41 65.75 1cdl h THR 79 Cb 0.60 0.85 0.02 0.00 -1.73 0.00 0.00 68.15 67.88 1cdl h THR 79 CO -0.59 0.00 -0.84 0.44 -0.25 0.00 0.00 175.52 174.28 1cdl h ASP 80 N 0.00 0.60 -0.40 5.36 5.19 -1.03 -2.93 116.42 123.21 1cdl h ASP 80 Ca 0.13 -0.84 0.03 0.00 -0.62 0.00 0.00 57.03 55.74 1cdl h ASP 80 Cb 0.56 -0.19 -0.04 0.00 0.18 0.00 0.00 39.33 39.85 1cdl h ASP 80 CO -0.00 1.38 0.19 0.28 -3.12 0.00 0.00 179.24 177.97 1cdl h SER 81 N -0.09 0.27 -0.24 6.45 0.02 0.17 0.27 113.55 120.39 1cdl h SER 81 Ca -0.13 0.03 0.06 0.00 -0.84 0.00 0.00 61.79 60.91 1cdl h SER 81 Cb 1.58 -0.02 -0.06 0.00 0.14 0.00 0.00 62.40 64.04 1cdl h SER 81 CO 0.16 0.19 -0.17 -0.08 -1.14 0.00 0.00 176.83 175.80 1cdl h GLU 82 N 0.39 -0.16 -0.68 3.45 4.22 -1.32 0.13 114.58 120.61 1cdl h GLU 82 Ca 0.17 0.01 0.04 0.00 0.08 0.00 0.00 59.36 59.66 1cdl h GLU 82 Cb 0.10 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 1cdl h GLU 82 CO -0.13 -0.10 0.41 1.49 -2.18 0.00 0.00 179.01 178.50 1cdl h GLU 83 N -0.16 0.78 -0.57 1.92 4.57 -1.09 0.50 114.58 120.52 1cdl h GLU 83 Ca 0.14 -0.05 0.02 0.00 -1.18 0.00 0.00 59.36 58.29 1cdl h GLU 83 Cb 0.37 -0.18 -0.04 0.00 -0.16 0.00 0.00 28.75 28.74 1cdl h GLU 83 CO -0.34 0.51 0.35 1.49 -1.18 0.00 0.00 179.01 179.85 1cdl h GLU 84 N 0.80 0.68 -0.43 1.92 4.81 0.62 -1.02 114.58 121.95 1cdl h GLU 84 Ca 0.28 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.35 1cdl h GLU 84 Cb 0.06 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 1cdl h GLU 84 CO -0.12 0.45 -0.21 0.82 -0.73 0.00 0.00 179.01 179.22 1cdl h ILE 85 N 0.70 1.27 -0.55 2.32 1.08 0.49 -1.10 117.51 121.72 1cdl h ILE 85 Ca 0.23 -1.34 -0.00 0.00 -0.39 0.00 0.00 64.86 63.36 1cdl h ILE 85 Cb 0.01 1.15 -0.03 0.00 -3.07 0.00 0.00 36.82 34.89 1cdl h ILE 85 CO -0.09 0.46 0.33 0.03 -0.69 0.00 0.00 178.15 178.18 1cdl h ARG 86 N 0.76 0.74 -0.51 2.37 3.08 -0.49 0.09 114.38 120.42 1cdl h ARG 86 Ca 0.10 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 1cdl h ARG 86 Cb 0.74 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 1cdl h ARG 86 CO 0.06 0.54 0.15 0.93 -1.07 0.00 0.00 179.97 180.57 1cdl h GLU 87 N 0.73 0.75 -0.32 0.04 4.39 -0.91 -1.90 114.58 117.36 1cdl h GLU 87 Ca 0.20 -0.14 -0.06 0.00 0.34 0.00 0.00 59.36 59.71 1cdl h GLU 87 Cb -0.01 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.50 1cdl h GLU 87 CO -0.04 0.67 -0.01 0.00 -1.16 0.00 0.00 179.01 178.47 1cdl h ALA 88 N 1.43 0.44 -0.74 3.43 0.00 -0.51 -2.81 119.26 120.49 1cdl h ALA 88 Ca 0.17 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.89 1cdl h ALA 88 Cb 0.24 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 1cdl h ALA 88 CO -0.01 0.21 0.43 0.35 0.00 0.00 0.00 179.25 180.24 1cdl h PHE 89 N 0.38 0.80 0.00 0.00 3.57 -0.73 0.12 116.94 121.08 1cdl h PHE 89 Ca 0.09 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1cdl h PHE 89 Cb 0.47 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.96 1cdl h PHE 89 CO 0.04 0.39 0.00 0.54 -2.23 0.00 0.00 178.31 177.05 1cdl n ARG 90 N -4.73 0.13 0.07 1.11 1.74 -0.74 -0.15 116.66 114.10 1cdl n ARG 90 Ca 0.10 0.55 -0.19 0.00 -0.77 0.00 0.00 57.85 57.55 1cdl n ARG 90 Cb 0.18 -1.87 -0.14 0.00 -1.02 0.00 0.00 32.46 29.60 1cdl n ARG 90 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1cdl h VAL 91 N 0.00 1.10 0.38 1.55 2.07 -0.82 -3.37 116.25 117.16 1cdl h VAL 91 Ca 0.00 -2.72 -0.02 0.00 0.82 0.00 0.00 66.70 64.78 1cdl h VAL 91 Cb 0.11 2.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.65 1cdl h VAL 91 CO 0.00 0.82 -0.18 -0.26 0.02 0.00 0.00 177.57 177.97 1cdl h PHE 92 N 0.08 -0.47 -0.15 1.57 0.04 -0.91 -3.38 116.94 113.72 1cdl h PHE 92 Ca -0.27 -0.01 -0.31 0.00 2.80 0.00 0.00 57.97 60.19 1cdl h PHE 92 Cb 2.04 0.15 0.03 0.00 2.20 0.00 0.00 35.95 40.38 1cdl h PHE 92 CO 0.07 -0.29 0.90 -3.47 -0.60 0.00 0.00 178.31 174.92 1cdl n ASP 93 N -4.91 1.88 -0.23 2.17 4.64 0.79 -4.75 116.55 116.14 1cdl n ASP 93 Ca -0.06 -2.57 -0.07 0.00 -1.38 0.00 0.00 54.79 50.70 1cdl n ASP 93 Cb 0.20 -1.38 0.04 0.00 -1.04 0.00 0.00 41.12 38.93 1cdl n ASP 93 CO 0.00 0.00 0.00 0.07 -0.82 0.00 0.00 177.20 176.45 1cdl h LYS 94 N 10.28 0.98 0.00 -0.67 2.10 -1.78 -2.03 116.57 125.45 1cdl h LYS 94 Ca 0.17 -0.18 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1cdl h LYS 94 Cb 0.87 -0.16 0.00 0.00 -0.90 0.00 0.00 32.23 32.05 1cdl h LYS 94 CO 1.42 0.82 0.00 -0.40 -2.00 0.00 0.00 179.45 179.29 1cdl n ASP 95 N -4.41 0.00 -3.06 7.07 3.85 -1.26 -4.88 116.55 113.86 1cdl n ASP 95 Ca 0.04 0.45 -0.22 0.00 -0.71 0.00 0.00 54.79 54.36 1cdl n ASP 95 Cb 0.18 -0.48 0.05 0.00 -1.35 0.00 0.00 41.12 39.52 1cdl n ASP 95 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1cdl n GLY 96 N 0.23 -0.47 1.49 6.12 0.00 -0.76 -4.89 105.19 106.90 1cdl n GLY 96 Ca 0.05 0.13 0.10 0.00 0.00 0.00 0.00 46.02 46.30 1cdl n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1cdl n ASN 97 N -2.47 4.37 -0.17 1.61 6.94 -1.26 -4.94 115.26 119.34 1cdl n ASN 97 Ca -0.07 -2.24 -0.02 0.00 -0.02 0.00 0.00 54.58 52.23 1cdl n ASN 97 Cb 0.60 -0.54 -0.01 0.00 -2.36 0.00 0.00 39.78 37.47 1cdl n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1cdl n GLY 98 N 1.39 0.45 2.88 4.83 0.00 -1.26 -4.98 105.19 108.50 1cdl n GLY 98 Ca 0.25 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 1cdl n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1cdl s TYR 99 N -1.71 -0.05 -0.39 1.61 1.51 -1.26 -3.94 117.35 113.12 1cdl s TYR 99 Ca 0.00 0.19 -0.16 0.00 -1.01 0.00 0.00 57.07 56.08 1cdl s TYR 99 Cb 0.00 -0.07 0.01 0.00 -0.11 0.00 0.00 41.96 41.79 1cdl s TYR 99 CO 0.00 -0.07 0.39 0.42 -1.11 0.00 0.00 175.55 175.18 1cdl s ILE 100 N 0.52 5.14 0.69 2.71 1.01 0.15 -4.80 121.20 126.61 1cdl s ILE 100 Ca -0.04 -0.27 -0.10 0.00 0.00 0.00 0.00 60.65 60.24 1cdl s ILE 100 Cb -0.06 -3.95 0.15 0.00 0.01 0.00 0.00 42.46 38.61 1cdl s ILE 100 CO -0.02 -0.30 0.93 -1.54 0.00 0.00 0.00 174.94 174.02 1cdl n SER 101 N 5.46 0.29 0.14 3.58 3.41 -1.26 -1.25 113.62 124.00 1cdl n SER 101 Ca -0.08 -1.47 0.03 0.00 -0.26 0.00 0.00 58.87 57.08 1cdl n SER 101 Cb 0.48 -0.69 0.05 0.00 -0.26 0.00 0.00 64.21 63.78 1cdl n SER 101 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1cdl h ALA 102 N -1.56 0.70 -0.18 7.33 0.00 -1.97 -2.49 119.26 121.09 1cdl h ALA 102 Ca -0.30 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.13 1cdl h ALA 102 Cb 0.89 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1cdl h ALA 102 CO 0.23 0.61 -0.02 0.00 0.00 0.00 0.00 179.25 180.07 1cdl h ALA 103 N 1.52 0.24 -0.39 0.00 0.00 -1.98 -0.85 119.26 117.79 1cdl h ALA 103 Ca -0.00 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 1cdl h ALA 103 Cb 1.35 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1cdl h ALA 103 CO 0.06 -0.02 0.00 0.93 0.00 0.00 0.00 179.25 180.23 1cdl h GLU 104 N 0.05 0.69 -0.32 0.00 5.08 -1.90 -1.36 114.58 116.82 1cdl h GLU 104 Ca 0.05 -0.22 -0.05 0.00 -1.00 0.00 0.00 59.36 58.14 1cdl h GLU 104 Cb 0.44 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1cdl h GLU 104 CO 0.01 0.78 -0.00 1.25 -1.00 0.00 0.00 179.01 180.05 1cdl h LEU 105 N 0.51 0.46 -0.30 1.33 5.85 -1.40 -1.54 115.31 120.23 1cdl h LEU 105 Ca 0.11 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 1cdl h LEU 105 Cb 0.46 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1cdl h LEU 105 CO 0.02 0.53 -0.04 -0.09 -0.34 0.00 0.00 178.44 178.52 1cdl h ARG 106 N 0.47 0.55 0.40 1.25 2.43 -0.85 -1.29 114.38 117.35 1cdl h ARG 106 Ca 0.10 -0.19 -0.02 0.00 -0.81 0.00 0.00 59.98 59.06 1cdl h ARG 106 Cb 0.31 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1cdl h ARG 106 CO 0.01 0.72 -0.22 0.45 -1.51 0.00 0.00 179.97 179.42 1cdl h HIS 107 N 0.33 -0.57 0.42 2.20 3.86 -0.65 -0.94 115.15 119.80 1cdl h HIS 107 Ca 0.08 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.27 1cdl h HIS 107 Cb 0.50 0.20 -0.02 0.00 1.06 0.00 0.00 27.41 29.14 1cdl h HIS 107 CO 0.04 -0.35 -0.45 0.28 0.86 0.00 0.00 177.93 178.32 1cdl h VAL 108 N -0.58 0.11 -0.80 2.45 2.07 -1.30 0.22 116.25 118.42 1cdl h VAL 108 Ca -0.05 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.62 1cdl h VAL 108 Cb 0.46 0.11 -0.10 0.00 -1.52 0.00 0.00 31.29 30.25 1cdl h VAL 108 CO 0.07 0.00 0.36 0.24 0.02 0.00 0.00 177.57 178.26 1cdl h MET 109 N -0.89 0.50 -0.35 1.57 2.07 -1.22 -0.23 114.93 116.38 1cdl h MET 109 Ca -0.04 -0.03 -0.16 0.00 -2.07 0.00 0.00 59.70 57.40 1cdl h MET 109 Cb 0.79 -0.11 -0.00 0.00 -1.87 0.00 0.00 31.60 30.40 1cdl h MET 109 CO -0.08 0.33 -0.41 1.15 1.07 0.00 0.00 176.91 178.98 1cdl h THR 110 N 0.51 1.28 -0.41 2.22 2.02 -0.84 -1.45 112.91 116.24 1cdl h THR 110 Ca 0.44 -1.58 -0.08 0.00 0.77 0.00 0.00 66.41 65.96 1cdl h THR 110 Cb 0.66 1.46 -0.02 0.00 -1.74 0.00 0.00 68.15 68.51 1cdl h THR 110 CO -0.39 0.52 -0.09 0.78 0.37 0.00 0.00 175.52 176.72 1cdl h ASN 111 N 0.70 0.69 0.23 4.18 2.35 0.39 -1.52 115.58 122.61 1cdl h ASN 111 Ca 0.05 -0.19 0.00 0.00 -0.55 0.00 0.00 56.30 55.61 1cdl h ASN 111 Cb 1.00 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 39.19 1cdl h ASN 111 CO 0.10 0.82 0.00 0.18 -1.65 0.00 0.00 177.43 176.88 1cdl n LEU 112 N -4.18 0.00 0.00 1.61 7.99 -0.19 -4.82 117.00 117.41 1cdl n LEU 112 Ca 0.01 0.28 0.00 0.00 -0.01 0.00 0.00 56.01 56.29 1cdl n LEU 112 Cb 0.34 -0.28 0.00 0.00 -0.11 0.00 0.00 43.42 43.37 1cdl n LEU 112 CO 0.42 -0.16 0.00 0.61 -1.51 0.00 0.00 177.39 176.75 1cdl n GLY 113 N -0.22 2.21 3.73 -0.72 0.00 -0.57 -4.94 105.19 104.68 1cdl n GLY 113 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1cdl n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cdl s GLU 114 N -0.69 4.15 -0.36 1.61 0.41 -0.55 -4.96 118.70 118.31 1cdl s GLU 114 Ca 0.00 2.54 -0.10 0.00 -0.41 0.00 0.00 54.97 57.00 1cdl s GLU 114 Cb 0.00 -3.07 0.03 0.00 -1.78 0.00 0.00 34.13 29.30 1cdl s GLU 114 CO 0.00 -0.67 0.17 0.15 -0.49 0.00 0.00 175.26 174.42 1cdl s LYS 115 N 0.50 2.84 0.12 1.61 3.01 -1.26 -3.96 119.74 122.60 1cdl s LYS 115 Ca 0.69 -1.06 -0.00 0.00 -1.01 0.00 0.00 55.97 54.59 1cdl s LYS 115 Cb -0.48 -3.63 -0.04 0.00 -1.01 0.00 0.00 37.83 32.67 1cdl s LYS 115 CO 0.38 -0.65 0.02 -0.51 0.51 0.00 0.00 175.35 175.10 1cdl s LEU 116 N 1.52 2.05 0.41 3.17 1.02 -1.26 -5.15 118.68 120.44 1cdl s LEU 116 Ca 0.01 -1.14 -0.01 0.00 0.02 0.00 0.00 54.13 53.01 1cdl s LEU 116 Cb -0.19 0.18 -0.02 0.00 0.02 0.00 0.00 46.19 46.18 1cdl s LEU 116 CO 0.05 -0.65 0.64 0.42 0.02 0.00 0.00 176.35 176.84 1cdl s THR 117 N -3.92 4.62 0.56 5.49 -4.23 -1.26 -4.91 115.64 111.99 1cdl s THR 117 Ca 0.19 -0.35 0.24 0.00 -1.18 0.00 0.00 61.69 60.59 1cdl s THR 117 Cb 0.07 -3.71 0.32 0.00 1.34 0.00 0.00 72.50 70.53 1cdl s THR 117 CO -0.01 -0.52 2.18 0.44 -0.54 0.00 0.00 174.62 176.17 1cdl h ASP 118 N 0.50 0.00 -0.17 3.99 3.45 -2.02 0.12 116.42 122.29 1cdl h ASP 118 Ca -0.48 0.00 -0.20 0.00 0.43 0.00 0.00 57.03 56.78 1cdl h ASP 118 Cb 1.23 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 40.01 1cdl h ASP 118 CO 0.60 0.00 -0.69 -0.33 -1.57 0.00 0.00 179.24 177.25 1cdl h GLU 119 N 0.00 0.77 -0.25 3.56 3.07 -1.98 -1.14 114.58 118.61 1cdl h GLU 119 Ca 0.03 -0.60 -0.04 0.00 -0.50 0.00 0.00 59.36 58.24 1cdl h GLU 119 Cb 0.12 0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.14 1cdl h GLU 119 CO -0.00 1.21 -0.02 0.93 -1.40 0.00 0.00 179.01 179.74 1cdl h GLU 120 N 0.50 0.45 0.11 2.33 5.08 -1.25 0.22 114.58 122.02 1cdl h GLU 120 Ca -0.04 -0.15 0.01 0.00 -1.00 0.00 0.00 59.36 58.18 1cdl h GLU 120 Cb 1.32 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.51 1cdl h GLU 120 CO 0.14 0.64 -0.16 0.28 -1.00 0.00 0.00 179.01 178.92 1cdl h VAL 121 N 0.22 0.64 -0.75 3.13 2.07 -0.92 0.37 116.25 121.01 1cdl h VAL 121 Ca 0.07 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.75 1cdl h VAL 121 Cb 0.44 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 1cdl h VAL 121 CO 0.02 0.00 0.50 0.44 0.02 0.00 0.00 177.57 178.55 1cdl h ASP 122 N -0.32 0.31 -0.14 0.57 3.32 -1.10 0.32 116.42 119.38 1cdl h ASP 122 Ca 0.02 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 1cdl h ASP 122 Cb 0.32 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.83 1cdl h ASP 122 CO -0.07 0.16 -0.02 -0.08 -1.72 0.00 0.00 179.24 177.51 1cdl h GLU 123 N 0.33 0.27 -0.78 3.56 4.81 0.27 0.27 114.58 123.31 1cdl h GLU 123 Ca 0.37 -0.09 0.05 0.00 -0.13 0.00 0.00 59.36 59.56 1cdl h GLU 123 Cb 0.95 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.26 1cdl h GLU 123 CO -0.10 0.52 0.48 0.52 -0.73 0.00 0.00 179.01 179.70 1cdl h MET 124 N -0.02 0.86 -0.27 1.92 2.86 0.16 0.45 114.93 120.89 1cdl h MET 124 Ca 0.04 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 1cdl h MET 124 Cb 0.41 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 1cdl h MET 124 CO 0.01 0.57 0.08 0.82 1.06 0.00 0.00 176.91 179.45 1cdl h ILE 125 N 0.89 1.20 0.10 -1.22 1.08 -0.83 -2.34 117.51 116.40 1cdl h ILE 125 Ca 0.33 -0.65 0.02 0.00 -0.39 0.00 0.00 64.86 64.17 1cdl h ILE 125 Cb 0.13 1.13 -0.04 0.00 -3.07 0.00 0.00 36.82 34.97 1cdl h ILE 125 CO -0.16 0.21 -0.28 -0.09 -0.69 0.00 0.00 178.15 177.15 1cdl h ARG 126 N 0.26 -0.46 -0.71 2.37 2.43 0.15 0.32 114.38 118.73 1cdl h ARG 126 Ca 0.08 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 1cdl h ARG 126 Cb 0.25 0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 1cdl h ARG 126 CO -0.00 -0.31 0.42 0.93 -1.51 0.00 0.00 179.97 179.50 1cdl h GLU 127 N -0.48 0.96 0.00 0.20 5.08 -0.20 -2.11 114.58 118.03 1cdl h GLU 127 Ca 0.04 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1cdl h GLU 127 Cb 0.52 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1cdl h GLU 127 CO -0.17 0.68 -0.24 0.00 -1.00 0.00 0.00 179.01 178.28 1cdl h ALA 128 N 1.48 0.87 -0.96 3.43 0.00 -1.05 -3.42 119.26 119.62 1cdl h ALA 128 Ca 0.25 0.00 -0.70 0.00 0.00 0.00 0.00 54.91 54.46 1cdl h ALA 128 Cb -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.66 1cdl h ALA 128 CO -0.05 0.00 2.11 -3.47 0.00 0.00 0.00 179.25 177.84 1cdl n ASP 129 N -2.70 4.88 -0.20 0.00 2.03 0.11 -4.81 116.55 115.86 1cdl n ASP 129 Ca 0.04 -2.94 -0.08 0.00 0.52 0.00 0.00 54.79 52.33 1cdl n ASP 129 Cb 0.50 -1.68 0.02 0.00 -0.72 0.00 0.00 41.12 39.24 1cdl n ASP 129 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1cdl h ILE 130 N 5.03 1.25 -0.11 5.18 5.03 -1.81 -2.71 117.51 129.36 1cdl h ILE 130 Ca 0.43 -0.88 -0.01 0.00 -0.12 0.00 0.00 64.86 64.28 1cdl h ILE 130 Cb 0.83 0.73 -0.00 0.00 -3.03 0.00 0.00 36.82 35.34 1cdl h ILE 130 CO 1.47 0.33 0.01 -0.90 -0.68 0.00 0.00 178.15 178.38 1cdl n ASP 131 N -4.39 1.96 -2.67 1.72 3.85 -1.26 -4.90 116.55 110.87 1cdl n ASP 131 Ca 0.03 -2.18 -0.08 0.00 -0.71 0.00 0.00 54.79 51.84 1cdl n ASP 131 Cb 0.23 -0.54 -0.02 0.00 -1.35 0.00 0.00 41.12 39.45 1cdl n ASP 131 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1cdl n GLY 132 N 0.12 -0.41 1.13 6.12 0.00 -1.02 -4.80 105.19 106.32 1cdl n GLY 132 Ca 0.06 0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.16 1cdl n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1cdl n ASP 133 N -1.47 3.28 0.00 1.61 3.85 -1.26 -4.91 116.55 117.65 1cdl n ASP 133 Ca 0.02 -2.24 0.00 0.00 -0.71 0.00 0.00 54.79 51.86 1cdl n ASP 133 Cb 0.42 -0.45 0.00 0.00 -1.35 0.00 0.00 41.12 39.75 1cdl n ASP 133 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1cdl n GLY 134 N 0.97 2.02 3.10 6.12 0.00 -1.26 -4.96 105.19 111.18 1cdl n GLY 134 Ca 0.18 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.12 1cdl n GLY 134 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1cdl s GLN 135 N -0.05 0.64 -0.33 1.61 -2.07 -1.26 -4.61 119.66 113.60 1cdl s GLN 135 Ca 0.00 -1.21 -0.10 0.00 -1.82 0.00 0.00 55.36 52.23 1cdl s GLN 135 Cb 0.00 0.22 -0.00 0.00 -1.09 0.00 0.00 33.01 32.14 1cdl s GLN 135 CO 0.00 -0.13 0.17 0.08 -1.32 0.00 0.00 175.29 174.09 1cdl s VAL 136 N -3.92 4.67 0.88 3.63 1.01 -0.38 -4.83 120.40 121.46 1cdl s VAL 136 Ca 0.08 -0.48 -0.10 0.00 0.00 0.00 0.00 61.98 61.47 1cdl s VAL 136 Cb 0.08 -3.42 0.18 0.00 0.00 0.00 0.00 36.38 33.21 1cdl s VAL 136 CO -0.10 0.00 1.21 0.54 0.00 0.00 0.00 175.10 176.75 1cdl s ASN 137 N 1.61 3.50 0.09 3.32 2.20 -1.26 0.32 114.94 124.72 1cdl s ASN 137 Ca 0.04 -0.03 -0.32 0.00 -0.94 0.00 0.00 52.86 51.61 1cdl s ASN 137 Cb -0.17 -0.10 -0.14 0.00 -2.00 0.00 0.00 41.25 38.84 1cdl s ASN 137 CO 0.07 -2.46 1.61 0.22 -2.94 0.00 0.00 177.10 173.60 1cdl h TYR 138 N -1.25 -0.99 -0.09 1.54 3.20 -1.99 -0.85 116.97 116.54 1cdl h TYR 138 Ca -0.41 0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.49 1cdl h TYR 138 Cb 1.24 0.38 -0.00 0.00 1.54 0.00 0.00 36.73 39.89 1cdl h TYR 138 CO -0.87 -0.52 0.12 1.05 -1.64 0.00 0.00 178.16 176.30 1cdl h GLU 139 N -0.78 0.00 0.02 1.82 4.11 -1.95 0.20 114.58 118.00 1cdl h GLU 139 Ca -0.03 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 59.16 1cdl h GLU 139 Cb 0.69 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.96 1cdl h GLU 139 CO -0.05 0.00 -0.95 0.93 0.07 0.00 0.00 179.01 179.02 1cdl h GLU 140 N 0.00 0.61 -0.58 1.06 5.08 -1.75 0.21 114.58 119.22 1cdl h GLU 140 Ca 0.04 -0.68 -0.02 0.00 -1.00 0.00 0.00 59.36 57.71 1cdl h GLU 140 Cb 0.28 0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 1cdl h GLU 140 CO -0.00 1.28 0.30 0.35 -1.00 0.00 0.00 179.01 179.94 1cdl h PHE 141 N 0.24 0.81 -0.20 4.33 3.04 0.72 -0.52 116.94 125.36 1cdl h PHE 141 Ca -0.12 -0.03 -0.03 0.00 3.98 0.00 0.00 57.97 61.77 1cdl h PHE 141 Cb 1.62 -0.26 -0.01 0.00 2.56 0.00 0.00 35.95 39.87 1cdl h PHE 141 CO 0.12 0.60 0.02 0.28 -2.02 0.00 0.00 178.31 177.31 1cdl h VAL 142 N 0.78 1.24 -0.67 1.41 2.07 -0.90 0.47 116.25 120.64 1cdl h VAL 142 Ca 0.20 -0.79 0.10 0.00 0.82 0.00 0.00 66.70 67.03 1cdl h VAL 142 Cb 0.08 1.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 1cdl h VAL 142 CO -0.03 0.24 0.45 -0.61 0.02 0.00 0.00 177.57 177.64 1cdl h GLN 143 N 0.12 0.51 0.19 1.57 5.75 -0.61 -1.50 115.11 121.15 1cdl h GLN 143 Ca 0.06 -0.03 -0.32 0.00 -0.15 0.00 0.00 58.65 58.21 1cdl h GLN 143 Cb 0.34 -0.12 0.02 0.00 1.07 0.00 0.00 27.48 28.80 1cdl h GLN 143 CO 0.01 0.34 -1.49 1.98 -2.65 0.00 0.00 178.83 177.02 1cdl h MET 144 N 0.53 0.40 0.00 1.69 4.05 -0.73 -3.34 114.93 117.53 1cdl h MET 144 Ca 0.31 -0.69 0.00 0.00 -0.28 0.00 0.00 59.70 59.04 1cdl h MET 144 Cb 0.50 0.26 0.00 0.00 -0.80 0.00 0.00 31.60 31.56 1cdl h MET 144 CO -0.10 1.31 0.00 -1.33 0.23 0.00 0.00 176.91 177.02 1cdl n MET 145 N -3.60 0.21 0.00 0.39 2.81 0.16 -5.09 117.12 112.00 1cdl n MET 145 Ca -0.16 0.43 0.00 0.00 -1.81 0.00 0.00 57.70 56.15 1cdl n MET 145 Cb 1.07 -1.90 0.00 0.00 -0.71 0.00 0.00 33.22 31.69 1cdl n MET 145 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73