#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 0.00 -0.34 -2.82 0.28 -1.26 -3.53 120.64 112.97 1cdl n GLU 6 Ca 0.00 0.00 0.11 0.00 -0.16 0.00 0.00 57.16 57.11 1cdl n GLU 6 Cb 0.00 -0.41 0.29 0.00 1.43 0.00 0.00 31.44 32.75 1cdl n GLU 6 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 1cdl h GLU 7 N 0.00 0.73 -0.44 3.44 4.81 -2.05 -2.24 114.58 118.84 1cdl h GLU 7 Ca 0.00 -0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.25 1cdl h GLU 7 Cb 0.00 -0.17 -0.09 0.00 0.63 0.00 0.00 28.75 29.12 1cdl h GLU 7 CO 0.00 0.49 -0.48 0.37 -0.73 0.00 0.00 179.01 178.66 1cdl h GLN 8 N 0.76 -0.33 -0.58 1.92 -0.00 -2.00 0.46 115.11 115.35 1cdl h GLN 8 Ca 0.54 0.02 -0.07 0.00 -0.00 0.00 0.00 58.65 59.14 1cdl h GLN 8 Cb 0.79 0.07 -0.02 0.00 0.00 0.00 0.00 27.48 28.32 1cdl h GLN 8 CO -0.37 -0.22 0.09 0.82 0.00 0.00 0.00 178.83 179.16 1cdl h ILE 9 N -0.34 1.26 -0.74 2.39 1.08 -1.47 -0.92 117.51 118.77 1cdl h ILE 9 Ca 0.12 -0.99 0.10 0.00 -0.39 0.00 0.00 64.86 63.70 1cdl h ILE 9 Cb 0.59 0.78 -0.07 0.00 -3.07 0.00 0.00 36.82 35.04 1cdl h ILE 9 CO -0.60 0.36 0.37 0.00 -0.69 0.00 0.00 178.15 177.59 1cdl h ALA 10 N 1.00 1.03 -0.36 1.87 0.00 -0.54 -1.45 119.26 120.82 1cdl h ALA 10 Ca 0.17 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 1cdl h ALA 10 Cb 0.42 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1cdl h ALA 10 CO 0.01 -0.04 -0.15 0.93 0.00 0.00 0.00 179.25 180.01 1cdl h GLU 11 N 0.62 0.73 -0.03 0.00 5.08 0.24 -0.33 114.58 120.88 1cdl h GLU 11 Ca 0.37 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1cdl h GLU 11 Cb 0.40 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1cdl h GLU 11 CO -0.28 0.91 -0.03 0.74 -1.00 0.00 0.00 179.01 179.35 1cdl h PHE 12 N 0.52 0.05 0.01 4.33 0.05 -0.52 0.58 116.94 121.95 1cdl h PHE 12 Ca 0.08 -0.00 -0.24 0.00 3.82 0.00 0.00 57.97 61.63 1cdl h PHE 12 Cb 0.68 -0.01 0.01 0.00 2.00 0.00 0.00 35.95 38.63 1cdl h PHE 12 CO 0.06 0.08 -1.00 -0.22 -0.18 0.00 0.00 178.31 177.06 1cdl h LYS 13 N 0.05 0.48 -0.50 1.51 1.63 -0.89 0.18 116.57 119.03 1cdl h LYS 13 Ca 0.01 -0.53 -0.09 0.00 -0.85 0.00 0.00 60.65 59.19 1cdl h LYS 13 Cb 0.09 0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 31.86 1cdl h LYS 13 CO 0.00 1.18 -0.04 0.93 -3.45 0.00 0.00 179.45 178.07 1cdl h GLU 14 N 0.26 0.87 -0.15 1.90 4.39 0.18 -1.66 114.58 120.38 1cdl h GLU 14 Ca -0.10 -0.27 -0.07 0.00 0.34 0.00 0.00 59.36 59.26 1cdl h GLU 14 Cb 1.64 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 30.21 1cdl h GLU 14 CO 0.18 0.89 -0.20 0.00 -1.16 0.00 0.00 179.01 178.72 1cdl h ALA 15 N 1.15 0.22 -0.84 3.43 0.00 0.17 -2.85 119.26 120.53 1cdl h ALA 15 Ca 0.14 -0.36 0.22 0.00 0.00 0.00 0.00 54.91 54.91 1cdl h ALA 15 Cb 0.53 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 1cdl h ALA 15 CO 0.03 0.15 0.58 0.35 0.00 0.00 0.00 179.25 180.36 1cdl h PHE 16 N 0.01 0.26 -0.43 0.00 3.04 -0.39 -1.31 116.94 118.13 1cdl h PHE 16 Ca 0.02 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 61.95 1cdl h PHE 16 Cb 0.76 -0.08 -0.02 0.00 2.56 0.00 0.00 35.95 39.17 1cdl h PHE 16 CO 0.09 0.07 0.16 0.77 -2.02 0.00 0.00 178.31 177.38 1cdl h SER 17 N 0.20 0.61 -0.70 0.41 0.02 -1.06 0.16 113.55 113.19 1cdl h SER 17 Ca 0.42 -0.18 0.02 0.00 -0.84 0.00 0.00 61.79 61.21 1cdl h SER 17 Cb 1.34 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 63.68 1cdl h SER 17 CO -0.09 0.63 0.46 -0.07 -1.14 0.00 0.00 176.83 176.62 1cdl h LEU 18 N 0.56 0.76 0.16 5.07 3.38 -1.27 -2.88 115.31 121.09 1cdl h LEU 18 Ca 0.14 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1cdl h LEU 18 Cb 0.22 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1cdl h LEU 18 CO -0.01 0.54 -0.08 -0.26 0.09 0.00 0.00 178.44 178.72 1cdl h PHE 19 N 0.89 -0.20 -0.33 1.13 0.04 -1.43 -3.34 116.94 113.70 1cdl h PHE 19 Ca 0.27 -0.00 -0.71 0.00 2.80 0.00 0.00 57.97 60.32 1cdl h PHE 19 Cb -0.02 0.06 -0.06 0.00 2.20 0.00 0.00 35.95 38.13 1cdl h PHE 19 CO -0.00 0.23 2.83 -3.47 -0.60 0.00 0.00 178.31 177.31 1cdl n ASP 20 N -4.91 4.20 0.23 2.17 2.03 0.52 -4.49 116.55 116.30 1cdl n ASP 20 Ca -0.07 -2.88 0.09 0.00 0.52 0.00 0.00 54.79 52.44 1cdl n ASP 20 Cb 0.26 -1.66 0.55 0.00 -0.72 0.00 0.00 41.12 39.55 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 6.28 0.00 -0.35 -0.67 1.57 -1.68 -2.54 116.57 119.18 1cdl h LYS 21 Ca 0.53 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.31 1cdl h LYS 21 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.99 1cdl h LYS 21 CO 1.78 0.22 0.00 -0.40 -0.57 0.00 0.00 179.45 180.48 1cdl n ASP 22 N -3.78 1.95 -1.04 0.86 3.85 -1.26 -4.93 116.55 112.20 1cdl n ASP 22 Ca -0.02 -1.98 -0.10 0.00 -0.71 0.00 0.00 54.79 51.98 1cdl n ASP 22 Cb 0.33 -0.24 -0.04 0.00 -1.35 0.00 0.00 41.12 39.82 1cdl n ASP 22 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1cdl n GLY 23 N 1.09 0.97 0.06 6.12 0.00 -0.96 -4.81 105.19 107.66 1cdl n GLY 23 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.32 0.11 -1.14 1.61 3.85 -1.26 -4.83 116.55 114.57 1cdl n ASP 24 Ca -0.10 -1.70 -0.15 0.00 -0.71 0.00 0.00 54.79 52.13 1cdl n ASP 24 Cb 0.42 -0.05 -0.06 0.00 -1.35 0.00 0.00 41.12 40.08 1cdl n ASP 24 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1cdl n GLY 25 N 0.31 1.45 3.27 6.12 0.00 -1.26 -4.97 105.19 110.11 1cdl n GLY 25 Ca 0.00 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 45.56 1cdl n GLY 25 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cdl s THR 26 N -2.55 0.01 -0.34 2.61 2.01 -1.26 -4.07 115.64 112.05 1cdl s THR 26 Ca 0.00 -0.08 -0.08 0.00 0.31 0.00 0.00 61.69 61.83 1cdl s THR 26 Cb 0.00 -0.55 0.02 0.00 0.01 0.00 0.00 72.50 71.98 1cdl s THR 26 CO 0.00 -0.05 0.14 -0.63 -0.69 0.00 0.00 174.62 173.39 1cdl s ILE 27 N -0.09 4.17 0.65 1.82 1.01 0.42 -4.71 121.20 124.47 1cdl s ILE 27 Ca -0.03 -0.88 0.02 0.00 0.00 0.00 0.00 60.65 59.77 1cdl s ILE 27 Cb -0.03 -3.28 0.10 0.00 0.01 0.00 0.00 42.46 39.26 1cdl s ILE 27 CO 0.01 -0.12 0.90 0.28 0.00 0.00 0.00 174.94 176.01 1cdl s THR 28 N 1.49 2.27 0.16 2.92 -1.32 -1.26 -2.02 115.64 117.89 1cdl s THR 28 Ca 0.01 -0.70 -0.15 0.00 -1.21 0.00 0.00 61.69 59.64 1cdl s THR 28 Cb -0.19 -2.57 0.06 0.00 -1.51 0.00 0.00 72.50 68.29 1cdl s THR 28 CO 0.04 0.00 1.72 0.71 -2.21 0.00 0.00 174.62 174.88 1cdl h THR 29 N -0.24 0.78 -0.02 5.08 1.35 -1.94 -2.30 112.91 115.62 1cdl h THR 29 Ca -0.36 -0.06 0.01 0.00 -0.55 0.00 0.00 66.41 65.44 1cdl h THR 29 Cb 1.28 0.58 -0.01 0.00 -1.73 0.00 0.00 68.15 68.26 1cdl h THR 29 CO 0.43 0.03 -0.03 0.11 -0.25 0.00 0.00 175.52 175.81 1cdl h LYS 30 N 0.18 -0.04 0.27 4.72 1.57 -1.97 0.50 116.57 121.80 1cdl h LYS 30 Ca 0.19 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1cdl h LYS 30 Cb 0.24 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 1cdl h LYS 30 CO -0.26 -0.03 -0.40 0.93 -0.57 0.00 0.00 179.45 179.11 1cdl h GLU 31 N -0.04 -0.68 -0.00 3.15 5.08 -1.81 -0.88 114.58 119.40 1cdl h GLU 31 Ca 0.02 0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.45 1cdl h GLU 31 Cb 0.07 0.15 -0.06 0.00 0.50 0.00 0.00 28.75 29.42 1cdl h GLU 31 CO -0.05 -0.45 -0.48 1.25 -1.00 0.00 0.00 179.01 178.27 1cdl h LEU 32 N -0.70 -1.49 -0.91 1.33 5.85 -1.33 -2.45 115.31 115.61 1cdl h LEU 32 Ca -0.03 0.17 0.10 0.00 0.84 0.00 0.00 57.88 58.96 1cdl h LEU 32 Cb 0.64 0.57 -0.12 0.00 0.37 0.00 0.00 40.66 42.13 1cdl h LEU 32 CO -0.12 -0.50 -0.49 0.61 -0.34 0.00 0.00 178.44 177.60 1cdl n GLY 33 N -1.46 -2.24 0.24 3.75 0.00 0.17 0.69 105.19 106.34 1cdl n GLY 33 Ca -0.07 1.07 0.07 0.00 0.00 0.00 0.00 46.02 47.09 1cdl n GLY 33 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1cdl h THR 34 N 0.00 1.03 0.06 2.61 1.35 -0.78 -1.49 112.91 115.69 1cdl h THR 34 Ca 0.19 -0.47 -0.00 0.00 -0.55 0.00 0.00 66.41 65.58 1cdl h THR 34 Cb 0.42 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 1cdl h THR 34 CO -0.87 0.13 -0.03 0.58 -0.25 0.00 0.00 175.52 175.09 1cdl h VAL 35 N 0.00 1.15 0.29 6.82 2.07 0.71 -1.96 116.25 125.34 1cdl h VAL 35 Ca -0.00 -0.72 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 1cdl h VAL 35 Cb 0.25 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 1cdl h VAL 35 CO 0.02 0.18 -0.23 0.24 0.02 0.00 0.00 177.57 177.80 1cdl h MET 36 N -0.40 -0.50 -0.78 1.57 2.86 -0.80 -1.61 114.93 115.27 1cdl h MET 36 Ca -0.01 0.03 0.23 0.00 -2.06 0.00 0.00 59.70 57.89 1cdl h MET 36 Cb 0.35 0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.10 1cdl h MET 36 CO 0.01 -0.34 0.63 -0.09 1.06 0.00 0.00 176.91 178.19 1cdl h ARG 37 N -0.52 0.00 -0.00 1.72 2.43 -0.93 0.32 114.38 117.40 1cdl h ARG 37 Ca -0.02 0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 58.94 1cdl h ARG 37 Cb 0.46 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 1cdl h ARG 37 CO -0.01 0.00 -0.89 0.77 -1.51 0.00 0.00 179.97 178.34 1cdl h SER 38 N 0.00 0.36 -0.69 -3.80 0.02 -0.48 -3.19 113.55 105.77 1cdl h SER 38 Ca 0.37 -0.28 -0.40 0.00 -0.84 0.00 0.00 61.79 60.64 1cdl h SER 38 Cb 1.63 -0.11 -0.21 0.00 0.14 0.00 0.00 62.40 63.85 1cdl h SER 38 CO -0.00 1.08 0.51 0.18 -1.14 0.00 0.00 176.83 177.46 1cdl n LEU 39 N -3.70 6.11 -2.65 5.07 4.32 0.11 -4.88 117.00 121.38 1cdl n LEU 39 Ca -0.05 -3.23 -0.11 0.00 -0.02 0.00 0.00 56.01 52.60 1cdl n LEU 39 Cb 0.81 -0.84 0.05 0.00 -1.62 0.00 0.00 43.42 41.82 1cdl n LEU 39 CO 0.49 1.05 0.05 0.61 -1.22 0.00 0.00 177.39 178.36 1cdl n GLY 40 N -0.45 -0.28 3.02 -0.72 0.00 -1.16 -5.04 105.19 100.56 1cdl n GLY 40 Ca 0.42 0.10 -0.13 0.00 0.00 0.00 0.00 46.02 46.41 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 -4.44 0.18 -0.78 1.61 -0.21 -1.10 -4.98 119.66 109.94 1cdl s GLN 41 Ca 0.15 0.54 0.03 0.00 0.02 0.00 0.00 55.36 56.10 1cdl s GLN 41 Cb -0.02 -0.12 0.20 0.00 1.00 0.00 0.00 33.01 34.06 1cdl s GLN 41 CO 0.49 -0.19 0.64 -1.71 -2.12 0.00 0.00 175.29 172.41 1cdl n ASN 42 N 4.42 3.58 -4.89 5.90 5.15 -1.26 -2.42 115.26 125.74 1cdl n ASN 42 Ca -0.22 -3.22 -0.29 0.00 -0.60 0.00 0.00 54.58 50.25 1cdl n ASN 42 Cb 0.52 -0.86 -0.00 0.00 -0.53 0.00 0.00 39.78 38.91 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 -1.57 3.61 0.28 1.20 0.02 -1.26 -5.08 135.00 132.20 1cdl s PRO 43 Ca 0.27 0.45 -0.08 0.00 0.02 0.00 0.00 61.00 61.66 1cdl s PRO 43 Cb -0.03 -2.27 -0.06 0.00 0.02 0.00 0.00 34.50 32.15 1cdl s PRO 43 CO -0.14 -0.30 0.60 -0.08 -0.33 0.00 0.00 177.00 176.75 1cdl s THR 44 N -2.83 4.92 0.30 0.99 -1.32 -1.26 -4.93 115.64 111.52 1cdl s THR 44 Ca 0.51 0.38 0.05 0.00 -1.21 0.00 0.00 61.69 61.42 1cdl s THR 44 Cb -0.10 -3.68 0.29 0.00 -1.51 0.00 0.00 72.50 67.50 1cdl s THR 44 CO 0.45 -0.24 1.73 -0.33 -2.21 0.00 0.00 174.62 174.02 1cdl h GLU 45 N 2.01 0.53 -0.16 7.08 4.39 -1.99 0.76 114.58 127.20 1cdl h GLU 45 Ca -0.47 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.18 1cdl h GLU 45 Cb 1.18 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.70 1cdl h GLU 45 CO 0.67 0.35 0.04 0.00 -1.16 0.00 0.00 179.01 178.90 1cdl h ALA 46 N 1.69 1.76 -0.19 3.43 0.00 -1.99 0.72 119.26 124.68 1cdl h ALA 46 Ca 0.58 -0.07 -0.19 0.00 0.00 0.00 0.00 54.91 55.23 1cdl h ALA 46 Cb 1.03 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.76 1cdl h ALA 46 CO -0.47 0.19 -0.61 0.93 0.00 0.00 0.00 179.25 179.29 1cdl h GLU 47 N 0.23 0.75 -0.04 0.00 5.08 0.13 -2.50 114.58 118.23 1cdl h GLU 47 Ca 0.06 -0.55 -0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1cdl h GLU 47 Cb 0.10 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1cdl h GLU 47 CO -0.00 1.17 0.02 -0.07 -1.00 0.00 0.00 179.01 179.13 1cdl h LEU 48 N 0.48 0.04 -1.43 1.33 4.07 -0.12 -1.22 115.31 118.46 1cdl h LEU 48 Ca -0.02 -0.04 0.14 0.00 0.08 0.00 0.00 57.88 58.04 1cdl h LEU 48 Cb 1.24 -0.01 -0.06 0.00 1.08 0.00 0.00 40.66 42.91 1cdl h LEU 48 CO 0.13 0.07 0.54 1.56 -1.08 0.00 0.00 178.44 179.65 1cdl h GLN 49 N 0.02 0.55 0.01 1.13 4.20 -0.89 -1.35 115.11 118.78 1cdl h GLN 49 Ca 0.01 -0.03 -0.25 0.00 0.06 0.00 0.00 58.65 58.44 1cdl h GLN 49 Cb 0.03 -0.12 0.02 0.00 0.30 0.00 0.00 27.48 27.71 1cdl h GLN 49 CO -0.00 0.36 -0.98 -0.44 -0.67 0.00 0.00 178.83 177.10 1cdl h ASP 50 N 0.56 0.84 -0.57 1.46 3.45 -1.01 0.10 116.42 121.26 1cdl h ASP 50 Ca 0.40 -0.75 -0.04 0.00 0.43 0.00 0.00 57.03 57.07 1cdl h ASP 50 Cb 0.76 -0.26 -0.03 0.00 -0.56 0.00 0.00 39.33 39.24 1cdl h ASP 50 CO -0.16 1.49 0.22 0.24 -1.57 0.00 0.00 179.24 179.46 1cdl h MET 51 N 0.28 0.89 0.05 3.56 2.86 -0.42 -2.56 114.93 119.58 1cdl h MET 51 Ca -0.13 -0.15 -0.00 0.00 -2.06 0.00 0.00 59.70 57.36 1cdl h MET 51 Cb 1.65 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 33.16 1cdl h MET 51 CO 0.19 0.74 -0.02 0.82 1.06 0.00 0.00 176.91 179.70 1cdl h ILE 52 N 0.87 1.30 -1.56 -1.22 2.04 -1.29 -3.26 117.51 114.39 1cdl h ILE 52 Ca 0.20 -1.27 0.45 0.00 1.00 0.00 0.00 64.86 65.25 1cdl h ILE 52 Cb 0.20 2.12 -0.06 0.00 -0.74 0.00 0.00 36.82 38.33 1cdl h ILE 52 CO -0.02 0.31 1.18 -1.13 0.00 0.00 0.00 178.15 178.50 1cdl h ASN 53 N -0.64 0.00 0.45 1.72 -1.24 -0.41 0.34 115.58 115.81 1cdl h ASN 53 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.00 1cdl h ASN 53 Cb 0.56 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.61 1cdl h ASN 53 CO 0.01 0.00 -0.96 -1.84 -1.29 0.00 0.00 177.43 173.35 1cdl n GLU 54 N -3.92 0.26 -0.02 6.67 0.28 -1.01 -4.18 120.64 118.71 1cdl n GLU 54 Ca 0.35 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 57.41 1cdl n GLU 54 Cb 1.67 -1.59 -0.13 0.00 1.43 0.00 0.00 31.44 32.82 1cdl n GLU 54 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 1cdl n VAL 55 N -1.93 0.16 -2.24 3.84 0.24 0.99 -4.87 118.33 114.53 1cdl n VAL 55 Ca 0.02 -0.42 -0.37 0.00 -2.04 0.00 0.00 64.34 61.53 1cdl n VAL 55 Cb 0.43 0.01 -0.03 0.00 -1.47 0.00 0.00 33.84 32.77 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 -4.06 5.63 0.01 -1.34 2.15 0.06 -4.89 116.67 114.23 1cdl s ASP 56 Ca -0.06 -0.27 -0.10 0.00 0.43 0.00 0.00 52.55 52.55 1cdl s ASP 56 Cb 0.10 -2.55 -0.05 0.00 -0.30 0.00 0.00 42.92 40.12 1cdl s ASP 56 CO 0.68 -2.20 0.98 0.00 -0.17 0.00 0.00 175.17 174.46 1cdl h ALA 57 N 12.37 -0.93 0.00 3.66 0.00 -1.89 -3.25 119.26 129.21 1cdl h ALA 57 Ca -0.15 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1cdl h ALA 57 Cb 1.09 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1cdl h ALA 57 CO 1.26 -0.90 0.00 0.38 0.00 0.00 0.00 179.25 179.99 1cdl h ASP 58 N -0.40 0.00 0.00 0.00 3.04 -1.95 -3.46 116.42 113.66 1cdl h ASP 58 Ca -0.04 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.75 1cdl h ASP 58 Cb 0.26 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.55 1cdl h ASP 58 CO 0.06 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.87 1cdl n GLY 59 N -0.96 0.57 1.27 7.15 0.00 -1.23 -4.94 105.19 107.04 1cdl n GLY 59 Ca -0.01 -0.79 -0.03 0.00 0.00 0.00 0.00 46.02 45.19 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 1.75 3.12 0.00 1.61 6.94 -1.26 -4.87 115.26 122.54 1cdl n ASN 60 Ca 0.00 -2.51 0.00 0.00 -0.02 0.00 0.00 54.58 52.05 1cdl n ASN 60 Cb 0.40 -0.61 0.00 0.00 -2.36 0.00 0.00 39.78 37.22 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 0.07 0.00 3.30 4.83 0.00 -1.26 -4.88 105.19 107.25 1cdl n GLY 61 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.81 0.06 -0.43 2.61 -4.23 -1.26 -4.73 115.64 106.84 1cdl s THR 62 Ca 0.00 -0.53 -0.18 0.00 -1.18 0.00 0.00 61.69 59.79 1cdl s THR 62 Cb 0.00 -0.98 0.03 0.00 1.34 0.00 0.00 72.50 72.88 1cdl s THR 62 CO 0.00 -0.29 0.51 -0.63 -0.54 0.00 0.00 174.62 173.67 1cdl s ILE 63 N -2.69 5.00 0.47 2.99 1.01 -0.86 -4.83 121.20 122.30 1cdl s ILE 63 Ca -0.04 -0.23 0.04 0.00 0.00 0.00 0.00 60.65 60.42 1cdl s ILE 63 Cb -0.00 -4.11 0.02 0.00 0.01 0.00 0.00 42.46 38.37 1cdl s ILE 63 CO -0.04 -0.51 0.66 1.51 0.00 0.00 0.00 174.94 176.56 1cdl s ASP 64 N 1.94 5.52 0.27 3.58 -4.77 -1.26 -0.44 116.67 121.51 1cdl s ASP 64 Ca 0.15 -0.18 0.01 0.00 -3.30 0.00 0.00 52.55 49.23 1cdl s ASP 64 Cb -0.16 -0.85 0.60 0.00 -1.09 0.00 0.00 42.92 41.42 1cdl s ASP 64 CO 0.15 -0.90 1.74 0.15 0.70 0.00 0.00 175.17 177.01 1cdl h PHE 65 N 0.39 0.74 -0.51 2.11 -0.00 -1.98 0.23 116.94 117.92 1cdl h PHE 65 Ca -0.42 0.04 -0.09 0.00 -0.00 0.00 0.00 57.97 57.50 1cdl h PHE 65 Cb 1.28 -0.20 -0.02 0.00 -0.00 0.00 0.00 35.95 37.02 1cdl h PHE 65 CO 0.39 0.11 -0.04 -1.35 -0.00 0.00 0.00 178.31 177.42 1cdl h PRO 66 N 0.56 0.89 -0.65 6.41 0.11 -1.95 0.38 132.00 137.74 1cdl h PRO 66 Ca 0.50 -0.28 -0.04 0.00 0.11 0.00 0.00 66.00 66.30 1cdl h PRO 66 Cb 0.79 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.78 1cdl h PRO 66 CO -0.41 0.91 0.26 0.93 -0.21 0.00 0.00 178.00 179.48 1cdl h GLU 67 N 0.81 0.95 0.09 1.05 5.08 -1.58 0.49 114.58 121.47 1cdl h GLU 67 Ca 0.15 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1cdl h GLU 67 Cb 0.54 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1cdl h GLU 67 CO 0.03 0.77 -0.04 0.35 -1.00 0.00 0.00 179.01 179.12 1cdl h PHE 68 N 0.94 -0.11 -0.91 4.33 3.57 -0.66 -2.25 116.94 121.85 1cdl h PHE 68 Ca 0.22 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.76 1cdl h PHE 68 Cb 0.18 0.04 -0.06 0.00 2.79 0.00 0.00 35.95 38.90 1cdl h PHE 68 CO 0.01 0.24 0.59 1.25 -2.23 0.00 0.00 178.31 178.17 1cdl h LEU 69 N -0.47 0.97 0.33 0.59 6.46 0.19 0.32 115.31 123.71 1cdl h LEU 69 Ca -0.01 -0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.73 1cdl h LEU 69 Cb 0.39 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.10 1cdl h LEU 69 CO 0.02 0.66 -0.31 0.74 -0.62 0.00 0.00 178.44 178.93 1cdl h THR 70 N 1.13 0.00 -0.49 1.05 2.02 0.05 0.74 112.91 117.40 1cdl h THR 70 Ca 0.37 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.65 1cdl h THR 70 Cb 0.03 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.35 1cdl h THR 70 CO -0.13 0.00 -0.09 -0.03 0.37 0.00 0.00 175.52 175.64 1cdl h MET 71 N -0.63 0.03 0.00 6.66 1.85 -1.08 -1.28 114.93 120.48 1cdl h MET 71 Ca -0.04 -0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.05 1cdl h MET 71 Cb 0.54 -0.01 0.00 0.00 0.43 0.00 0.00 31.60 32.56 1cdl h MET 71 CO -0.02 0.02 0.00 -1.33 -0.40 0.00 0.00 176.91 175.18 1cdl n MET 72 N -5.32 0.14 0.00 0.39 2.00 0.11 -2.69 117.12 111.75 1cdl n MET 72 Ca 0.05 0.46 0.04 0.00 0.00 0.00 0.00 57.70 58.24 1cdl n MET 72 Cb 0.27 -1.82 0.02 0.00 0.00 0.00 0.00 33.22 31.69 1cdl n MET 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1cdl n ALA 73 N -1.72 2.57 -0.86 3.04 0.00 0.23 -5.03 120.51 118.73 1cdl n ALA 73 Ca 0.01 -0.50 -0.34 0.00 0.00 0.00 0.00 53.44 52.62 1cdl n ALA 73 Cb 0.16 -0.27 0.10 0.00 0.00 0.00 0.00 19.45 19.44 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 0.15 -0.22 -2.66 0.00 1.74 -0.74 -4.89 116.66 110.04 1cdl n ARG 74 Ca 0.04 -0.04 -0.43 0.00 -0.77 0.00 0.00 57.85 56.65 1cdl n ARG 74 Cb 0.18 -1.57 -0.02 0.00 -1.02 0.00 0.00 32.46 30.03 1cdl n ARG 74 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1cdl s LYS 75 N -3.10 3.83 -0.14 5.56 -0.14 -1.26 -5.02 119.74 119.47 1cdl s LYS 75 Ca 0.51 0.69 -0.03 0.00 -1.36 0.00 0.00 55.97 55.78 1cdl s LYS 75 Cb -0.20 -3.84 -0.03 0.00 -1.68 0.00 0.00 37.83 32.08 1cdl s LYS 75 CO 0.72 -1.15 -0.03 1.41 -0.76 0.00 0.00 175.35 175.55 1cdl s MET 76 N 3.99 3.55 0.36 1.68 1.75 -1.26 -5.08 119.30 124.29 1cdl s MET 76 Ca 0.45 -0.49 -0.27 0.00 -1.25 0.00 0.00 55.69 54.12 1cdl s MET 76 Cb -0.10 -2.90 -0.09 0.00 2.84 0.00 0.00 34.83 34.58 1cdl s MET 76 CO 0.24 0.33 1.19 0.15 -0.65 0.00 0.00 175.02 176.28 1cdl s LYS 77 N 0.12 4.24 0.27 4.11 3.01 -1.26 -4.72 119.74 125.50 1cdl s LYS 77 Ca -0.00 1.93 -0.07 0.00 -1.01 0.00 0.00 55.97 56.82 1cdl s LYS 77 Cb -0.13 -2.87 0.48 0.00 -1.01 0.00 0.00 37.83 34.30 1cdl s LYS 77 CO 0.03 -0.19 1.59 0.38 0.51 0.00 0.00 175.35 177.67 1cdl h ASP 78 N 3.04 -0.64 -0.60 2.83 2.03 -1.98 0.30 116.42 121.40 1cdl h ASP 78 Ca -0.48 0.25 0.08 0.00 -0.73 0.00 0.00 57.03 56.15 1cdl h ASP 78 Cb 1.23 0.49 -0.07 0.00 -0.83 0.00 0.00 39.33 40.15 1cdl h ASP 78 CO 0.64 -0.28 0.25 0.71 -1.03 0.00 0.00 179.24 179.53 1cdl h THR 79 N 0.02 0.82 -0.63 1.15 1.35 -2.00 0.16 112.91 113.78 1cdl h THR 79 Ca 0.46 -0.15 -0.05 0.00 -0.55 0.00 0.00 66.41 66.12 1cdl h THR 79 Cb 0.80 0.33 -0.03 0.00 -1.73 0.00 0.00 68.15 67.52 1cdl h THR 79 CO -0.86 0.08 0.20 0.44 -0.25 0.00 0.00 175.52 175.13 1cdl h ASP 80 N 0.45 0.91 -0.71 5.36 5.19 -0.87 -2.44 116.42 124.32 1cdl h ASP 80 Ca 0.30 -0.21 -0.02 0.00 -0.62 0.00 0.00 57.03 56.48 1cdl h ASP 80 Cb 0.33 -0.24 -0.03 0.00 0.18 0.00 0.00 39.33 39.57 1cdl h ASP 80 CO -0.27 0.88 0.38 0.28 -3.12 0.00 0.00 179.24 177.39 1cdl h SER 81 N 0.90 0.90 -0.18 6.45 0.02 0.49 -1.34 113.55 120.78 1cdl h SER 81 Ca 0.20 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 1cdl h SER 81 Cb 0.29 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 1cdl h SER 81 CO -0.01 0.74 0.07 -0.33 -1.14 0.00 0.00 176.83 176.16 1cdl h GLU 82 N 0.98 0.28 -0.81 3.45 4.39 -0.86 -1.22 114.58 120.78 1cdl h GLU 82 Ca 0.25 -0.05 0.08 0.00 0.34 0.00 0.00 59.36 59.97 1cdl h GLU 82 Cb 0.05 -0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 28.59 1cdl h GLU 82 CO -0.04 0.36 0.48 1.49 -1.16 0.00 0.00 179.01 180.14 1cdl h GLU 83 N 0.13 0.82 -0.12 2.33 4.22 -1.27 0.36 114.58 121.05 1cdl h GLU 83 Ca 0.06 -0.05 0.01 0.00 0.08 0.00 0.00 59.36 59.46 1cdl h GLU 83 Cb 0.19 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1cdl h GLU 83 CO -0.00 0.54 0.04 1.49 -2.18 0.00 0.00 179.01 178.90 1cdl h GLU 84 N 0.84 0.10 0.74 1.92 4.81 -0.93 0.32 114.58 122.39 1cdl h GLU 84 Ca 0.37 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.56 1cdl h GLU 84 Cb 0.26 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.63 1cdl h GLU 84 CO -0.21 0.07 -0.37 0.82 -0.73 0.00 0.00 179.01 178.59 1cdl h ILE 85 N 0.11 0.25 -0.79 2.32 1.08 -0.24 -0.52 117.51 119.72 1cdl h ILE 85 Ca 0.05 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.66 1cdl h ILE 85 Cb 0.03 0.25 -0.14 0.00 -3.07 0.00 0.00 36.82 33.89 1cdl h ILE 85 CO -0.05 0.00 -0.34 -0.09 -0.69 0.00 0.00 178.15 176.98 1cdl h ARG 86 N -1.01 -0.07 -0.34 2.37 2.43 0.14 0.69 114.38 118.58 1cdl h ARG 86 Ca -0.10 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.01 1cdl h ARG 86 Cb 0.78 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.33 1cdl h ARG 86 CO 0.16 -0.05 -0.04 1.49 -1.51 0.00 0.00 179.97 180.02 1cdl h GLU 87 N -0.07 0.55 -0.61 0.20 4.22 -0.28 -0.57 114.58 118.01 1cdl h GLU 87 Ca 0.30 -0.13 -0.08 0.00 0.08 0.00 0.00 59.36 59.53 1cdl h GLU 87 Cb 0.58 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1cdl h GLU 87 CO -0.83 0.61 0.08 0.00 -2.18 0.00 0.00 179.01 176.69 1cdl h ALA 88 N 1.44 0.81 -0.47 2.92 0.00 0.18 -2.68 119.26 121.46 1cdl h ALA 88 Ca 0.11 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1cdl h ALA 88 Cb 0.40 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1cdl h ALA 88 CO 0.02 0.58 0.29 0.35 0.00 0.00 0.00 179.25 180.48 1cdl h PHE 89 N 0.92 0.62 0.00 0.00 3.04 0.66 -1.89 116.94 120.29 1cdl h PHE 89 Ca 0.18 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.13 1cdl h PHE 89 Cb 0.45 -0.20 0.00 0.00 2.56 0.00 0.00 35.95 38.76 1cdl h PHE 89 CO 0.03 0.42 0.15 0.00 -2.02 0.00 0.00 178.31 176.89 1cdl h ARG 90 N 0.63 0.00 0.07 1.11 3.08 -0.80 0.62 114.38 119.08 1cdl h ARG 90 Ca 0.17 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.94 1cdl h ARG 90 Cb -0.02 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 1cdl h ARG 90 CO -0.03 0.00 -1.45 0.28 -1.07 0.00 0.00 179.97 177.70 1cdl h VAL 91 N 0.00 1.22 0.11 2.04 2.07 -1.15 -3.34 116.25 117.20 1cdl h VAL 91 Ca 0.00 -2.92 -0.29 0.00 0.82 0.00 0.00 66.70 64.31 1cdl h VAL 91 Cb 0.30 2.71 0.02 0.00 -1.52 0.00 0.00 31.29 32.80 1cdl h VAL 91 CO 0.00 0.79 -1.22 -0.26 0.02 0.00 0.00 177.57 176.90 1cdl h PHE 92 N 0.04 0.93 -0.76 1.57 0.04 -0.89 -3.38 116.94 114.48 1cdl h PHE 92 Ca -0.20 -0.59 -0.69 0.00 2.80 0.00 0.00 57.97 59.30 1cdl h PHE 92 Cb 1.96 -0.07 -0.08 0.00 2.20 0.00 0.00 35.95 39.96 1cdl h PHE 92 CO 0.03 1.43 2.33 -3.47 -0.60 0.00 0.00 178.31 178.04 1cdl n ASP 93 N -3.76 4.78 -0.28 2.17 -0.08 -0.26 -4.65 116.55 114.47 1cdl n ASP 93 Ca -0.13 -2.91 0.04 0.00 -1.51 0.00 0.00 54.79 50.28 1cdl n ASP 93 Cb 0.98 -1.73 0.18 0.00 2.34 0.00 0.00 41.12 42.89 1cdl n ASP 93 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1cdl h LYS 94 N 7.31 0.66 -0.24 -0.67 1.63 -1.78 -0.81 116.57 122.66 1cdl h LYS 94 Ca 0.46 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 60.22 1cdl h LYS 94 Cb 0.83 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.31 1cdl h LYS 94 CO 1.52 0.44 0.00 -0.40 -3.45 0.00 0.00 179.45 177.56 1cdl n ASP 95 N -4.82 2.10 -4.26 4.20 5.75 -1.26 -4.95 116.55 113.31 1cdl n ASP 95 Ca 0.14 -1.81 -0.35 0.00 -0.01 0.00 0.00 54.79 52.76 1cdl n ASP 95 Cb 0.33 -0.16 -0.05 0.00 -1.03 0.00 0.00 41.12 40.22 1cdl n ASP 95 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cdl n GLY 96 N 1.21 -0.36 0.49 6.12 0.00 -0.31 -4.82 105.19 107.52 1cdl n GLY 96 Ca 0.16 0.13 0.14 0.00 0.00 0.00 0.00 46.02 46.45 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 -2.70 1.56 0.00 1.61 6.94 -1.26 -4.90 115.26 116.50 1cdl n ASN 97 Ca -0.03 -1.46 0.00 0.00 -0.02 0.00 0.00 54.58 53.07 1cdl n ASN 97 Cb 0.54 0.02 0.00 0.00 -2.36 0.00 0.00 39.78 37.98 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 1.21 0.72 3.06 4.83 0.00 -1.26 -5.05 105.19 108.71 1cdl n GLY 98 Ca 0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.63 0.23 -0.11 1.61 2.02 -1.26 -3.78 117.35 113.43 1cdl s TYR 99 Ca 0.00 -0.51 0.01 0.00 -0.37 0.00 0.00 57.07 56.19 1cdl s TYR 99 Cb 0.00 -0.17 -0.02 0.00 -0.40 0.00 0.00 41.96 41.37 1cdl s TYR 99 CO 0.00 -0.29 -0.13 0.42 -1.57 0.00 0.00 175.55 173.98 1cdl s ILE 100 N -2.15 3.08 0.51 2.71 1.01 0.24 -4.72 121.20 121.88 1cdl s ILE 100 Ca -0.09 -0.66 0.05 0.00 0.00 0.00 0.00 60.65 59.95 1cdl s ILE 100 Cb -0.04 -2.28 0.05 0.00 0.01 0.00 0.00 42.46 40.20 1cdl s ILE 100 CO -0.03 0.54 0.44 -1.54 0.00 0.00 0.00 174.94 174.35 1cdl n SER 101 N 3.26 2.49 0.08 3.58 3.41 -1.26 -2.10 113.62 123.08 1cdl n SER 101 Ca -0.18 -2.67 -0.12 0.00 -0.26 0.00 0.00 58.87 55.64 1cdl n SER 101 Cb 0.53 -0.10 -0.05 0.00 -0.26 0.00 0.00 64.21 64.33 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 0.59 -0.34 0.00 7.33 0.00 -1.94 0.10 119.26 125.00 1cdl h ALA 102 Ca -0.31 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 1cdl h ALA 102 Cb 1.16 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 1cdl h ALA 102 CO 0.47 -0.74 -0.14 0.00 0.00 0.00 0.00 179.25 178.84 1cdl h ALA 103 N 0.43 1.69 -0.13 0.00 0.00 -1.98 -0.01 119.26 119.26 1cdl h ALA 103 Ca 0.04 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1cdl h ALA 103 Cb 0.44 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1cdl h ALA 103 CO -0.17 0.17 -0.30 0.93 0.00 0.00 0.00 179.25 179.89 1cdl h GLU 104 N 0.00 0.44 -0.22 0.00 5.08 -1.46 -2.31 114.58 116.10 1cdl h GLU 104 Ca -0.00 -0.29 -0.09 0.00 -1.00 0.00 0.00 59.36 57.98 1cdl h GLU 104 Cb 0.26 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 1cdl h GLU 104 CO 0.02 0.90 -0.21 1.25 -1.00 0.00 0.00 179.01 179.97 1cdl h LEU 105 N 0.03 0.57 -0.09 1.33 7.12 -0.65 -3.23 115.31 120.40 1cdl h LEU 105 Ca 0.00 -0.47 0.02 0.00 0.13 0.00 0.00 57.88 57.56 1cdl h LEU 105 Cb 0.90 -0.16 -0.04 0.00 -0.53 0.00 0.00 40.66 40.83 1cdl h LEU 105 CO 0.07 0.92 -0.31 -0.09 -0.13 0.00 0.00 178.44 178.90 1cdl h ARG 106 N 0.23 -0.31 0.00 1.25 2.43 -1.03 -1.84 114.38 115.11 1cdl h ARG 106 Ca 0.04 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1cdl h ARG 106 Cb 0.76 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.38 1cdl h ARG 106 CO 0.05 -0.21 0.09 1.12 -1.51 0.00 0.00 179.97 179.51 1cdl h HIS 107 N -0.32 0.00 0.00 2.20 2.07 -1.49 -2.76 115.15 114.85 1cdl h HIS 107 Ca 0.02 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.54 1cdl h HIS 107 Cb 0.38 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.36 1cdl h HIS 107 CO -0.54 0.00 -0.02 0.28 -3.07 0.00 0.00 177.93 174.58 1cdl h VAL 108 N 0.00 0.00 -0.76 6.12 2.07 -1.36 -3.14 116.25 119.18 1cdl h VAL 108 Ca 0.00 -0.96 0.18 0.00 0.82 0.00 0.00 66.70 66.73 1cdl h VAL 108 Cb 0.17 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.82 1cdl h VAL 108 CO 0.00 0.00 0.08 0.24 0.02 0.00 0.00 177.57 177.91 1cdl h MET 109 N -0.96 0.16 -0.50 1.57 2.86 -1.30 0.32 114.93 117.08 1cdl h MET 109 Ca 0.00 -0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.67 1cdl h MET 109 Cb 0.02 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.61 1cdl h MET 109 CO 0.00 0.10 0.27 1.79 1.06 0.00 0.00 176.91 180.14 1cdl h THR 110 N 0.16 1.00 0.00 2.22 1.35 -1.59 0.59 112.91 116.63 1cdl h THR 110 Ca 0.43 -0.18 -0.01 0.00 -0.55 0.00 0.00 66.41 66.10 1cdl h THR 110 Cb 0.77 0.42 -0.00 0.00 -1.73 0.00 0.00 68.15 67.60 1cdl h THR 110 CO -0.61 0.10 -0.03 0.78 -0.25 0.00 0.00 175.52 175.50 1cdl h ASN 111 N 0.53 0.00 1.23 5.36 4.21 -0.36 0.11 115.58 126.66 1cdl h ASN 111 Ca 0.21 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.72 1cdl h ASN 111 Cb 0.08 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.28 1cdl h ASN 111 CO -0.13 0.03 -0.55 -0.07 -1.29 0.00 0.00 177.43 175.43 1cdl h LEU 112 N 0.00 0.00 0.00 1.61 3.38 0.27 -3.44 115.31 117.13 1cdl h LEU 112 Ca -0.00 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1cdl h LEU 112 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1cdl h LEU 112 CO 0.00 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.18 1cdl n GLY 113 N 1.23 1.72 3.58 0.83 0.00 0.37 -4.84 105.19 108.08 1cdl n GLY 113 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1cdl n GLY 113 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1cdl s GLU 114 N -0.10 3.27 0.06 1.61 -1.05 -1.06 -4.92 118.70 116.50 1cdl s GLU 114 Ca 0.00 0.58 -0.30 0.00 -0.15 0.00 0.00 54.97 55.10 1cdl s GLU 114 Cb 0.00 -4.14 -0.05 0.00 -0.44 0.00 0.00 34.13 29.50 1cdl s GLU 114 CO 0.00 -1.97 0.98 0.15 0.95 0.00 0.00 175.26 175.37 1cdl s LYS 115 N 5.60 4.63 0.37 -4.83 -0.14 -1.26 -3.83 119.74 120.28 1cdl s LYS 115 Ca 0.56 1.46 0.05 0.00 -1.36 0.00 0.00 55.97 56.68 1cdl s LYS 115 Cb -0.12 -3.41 -0.03 0.00 -1.68 0.00 0.00 37.83 32.59 1cdl s LYS 115 CO 0.26 0.08 0.18 -0.51 -0.76 0.00 0.00 175.35 174.59 1cdl s LEU 116 N 0.46 1.86 0.30 3.17 1.02 -1.26 -5.10 118.68 119.12 1cdl s LEU 116 Ca 0.50 -1.67 0.07 0.00 0.02 0.00 0.00 54.13 53.05 1cdl s LEU 116 Cb -0.23 0.14 -0.03 0.00 0.02 0.00 0.00 46.19 46.09 1cdl s LEU 116 CO 0.29 -0.96 0.23 -0.89 0.02 0.00 0.00 176.35 175.04 1cdl s THR 117 N -3.36 3.82 0.13 5.49 2.01 -1.26 -5.01 115.64 117.46 1cdl s THR 117 Ca 0.31 -1.44 -0.29 0.00 0.31 0.00 0.00 61.69 60.58 1cdl s THR 117 Cb 0.03 -3.23 -0.06 0.00 0.01 0.00 0.00 72.50 69.26 1cdl s THR 117 CO 0.19 -0.25 1.58 0.44 -0.69 0.00 0.00 174.62 175.89 1cdl h ASP 118 N 1.40 -1.30 -0.77 3.53 3.32 -2.02 -0.80 116.42 119.77 1cdl h ASP 118 Ca -0.46 0.17 0.10 0.00 0.02 0.00 0.00 57.03 56.86 1cdl h ASP 118 Cb 1.25 0.53 -0.05 0.00 0.22 0.00 0.00 39.33 41.28 1cdl h ASP 118 CO 0.60 -0.43 0.51 1.05 -1.72 0.00 0.00 179.24 179.25 1cdl h GLU 119 N -0.49 0.65 -0.98 3.56 4.11 -1.99 -1.72 114.58 117.71 1cdl h GLU 119 Ca 0.07 -0.04 0.05 0.00 0.07 0.00 0.00 59.36 59.51 1cdl h GLU 119 Cb 0.63 -0.15 -0.06 0.00 0.50 0.00 0.00 28.75 29.67 1cdl h GLU 119 CO -0.39 0.43 0.64 1.49 0.07 0.00 0.00 179.01 181.24 1cdl h GLU 120 N 0.67 1.16 -0.51 1.06 4.81 -1.55 0.35 114.58 120.58 1cdl h GLU 120 Ca 0.36 -0.07 -0.12 0.00 -0.13 0.00 0.00 59.36 59.40 1cdl h GLU 120 Cb 0.50 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 1cdl h GLU 120 CO -0.13 0.77 -0.13 -0.39 -0.73 0.00 0.00 179.01 178.39 1cdl h VAL 121 N 1.20 1.27 -0.29 0.32 -1.51 -1.01 -2.59 116.25 113.64 1cdl h VAL 121 Ca 0.40 -1.29 -0.06 0.00 -1.23 0.00 0.00 66.70 64.53 1cdl h VAL 121 Cb 0.07 1.04 -0.02 0.00 -2.13 0.00 0.00 31.29 30.25 1cdl h VAL 121 CO -0.15 0.45 -0.08 -0.78 -1.23 0.00 0.00 177.57 175.78 1cdl h ASP 122 N 0.86 0.44 0.77 4.19 3.58 -0.95 -1.98 116.42 123.33 1cdl h ASP 122 Ca 0.13 -0.10 -0.04 0.00 0.42 0.00 0.00 57.03 57.44 1cdl h ASP 122 Cb 0.70 -0.12 0.01 0.00 1.72 0.00 0.00 39.33 41.64 1cdl h ASP 122 CO 0.05 0.57 -0.37 -0.08 -2.88 0.00 0.00 179.24 176.53 1cdl h GLU 123 N 0.44 -1.00 -0.68 0.28 4.57 -0.03 -1.52 114.58 116.64 1cdl h GLU 123 Ca 0.09 0.07 0.14 0.00 -1.18 0.00 0.00 59.36 58.47 1cdl h GLU 123 Cb 0.42 0.23 -0.10 0.00 -0.16 0.00 0.00 28.75 29.14 1cdl h GLU 123 CO 0.02 -0.67 0.18 0.52 -1.18 0.00 0.00 179.01 177.88 1cdl h MET 124 N -1.04 0.29 -0.72 1.92 2.86 -1.34 0.11 114.93 117.01 1cdl h MET 124 Ca -0.11 -0.02 0.07 0.00 -2.06 0.00 0.00 59.70 57.59 1cdl h MET 124 Cb 0.79 -0.06 -0.06 0.00 0.06 0.00 0.00 31.60 32.33 1cdl h MET 124 CO 0.17 0.19 0.40 0.82 1.06 0.00 0.00 176.91 179.55 1cdl h ILE 125 N 0.30 0.95 -0.12 -1.22 5.03 -1.26 -1.85 117.51 119.33 1cdl h ILE 125 Ca 0.37 -0.25 -0.01 0.00 -0.12 0.00 0.00 64.86 64.85 1cdl h ILE 125 Cb 0.58 0.17 -0.01 0.00 -3.03 0.00 0.00 36.82 34.54 1cdl h ILE 125 CO -0.44 0.13 0.03 0.03 -0.68 0.00 0.00 178.15 177.22 1cdl h ARG 126 N 0.72 0.19 -1.49 2.37 3.08 0.20 0.70 114.38 120.14 1cdl h ARG 126 Ca 0.33 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.34 1cdl h ARG 126 Cb 0.24 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1cdl h ARG 126 CO -0.20 0.34 0.00 -0.85 -1.07 0.00 0.00 179.97 178.19 1cdl n GLU 127 N -4.86 0.91 0.00 0.04 0.28 -0.07 -3.07 120.64 113.87 1cdl n GLU 127 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.95 1cdl n GLU 127 Cb 0.14 -1.04 0.00 0.00 1.43 0.00 0.00 31.44 31.97 1cdl n GLU 127 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1cdl n ALA 128 N 0.99 1.27 -1.57 -1.84 0.00 -1.02 -4.98 120.51 113.36 1cdl n ALA 128 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1cdl n ALA 128 Cb 0.46 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.81 1cdl n ALA 128 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1cdl n ASP 129 N -2.44 1.55 0.03 0.00 2.03 0.24 -4.80 116.55 113.17 1cdl n ASP 129 Ca 0.00 -2.00 -0.13 0.00 0.52 0.00 0.00 54.79 53.18 1cdl n ASP 129 Cb 0.00 -1.70 -0.09 0.00 -0.72 0.00 0.00 41.12 38.61 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 7.19 1.15 -0.09 5.18 2.04 -1.87 -3.16 117.51 127.95 1cdl h ILE 130 Ca 0.00 -1.04 0.03 0.00 1.00 0.00 0.00 64.86 64.84 1cdl h ILE 130 Cb 1.00 1.81 -0.00 0.00 -0.74 0.00 0.00 36.82 38.88 1cdl h ILE 130 CO 1.00 0.25 0.31 -2.24 0.00 0.00 0.00 178.15 177.47 1cdl h ASP 131 N -0.61 0.00 -1.23 1.72 3.04 -1.90 -3.46 116.42 113.98 1cdl h ASP 131 Ca -0.01 0.00 -0.16 0.00 -3.24 0.00 0.00 57.03 53.62 1cdl h ASP 131 Cb 0.50 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.78 1cdl h ASP 131 CO 0.02 0.00 -0.21 0.61 -2.04 0.00 0.00 179.24 177.62 1cdl n GLY 132 N -1.27 0.05 1.09 7.15 0.00 -1.20 -4.94 105.19 106.08 1cdl n GLY 132 Ca -0.00 -0.54 0.09 0.00 0.00 0.00 0.00 46.02 45.57 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 0.42 3.67 -0.66 1.61 5.68 -1.26 -4.93 116.55 121.07 1cdl n ASP 133 Ca -0.09 -2.10 -0.09 0.00 -0.50 0.00 0.00 54.79 52.01 1cdl n ASP 133 Cb 0.57 -0.40 -0.04 0.00 -1.14 0.00 0.00 41.12 40.11 1cdl n ASP 133 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cdl n GLY 134 N 1.06 0.99 2.91 6.12 0.00 -1.26 -4.99 105.19 110.03 1cdl n GLY 134 Ca 0.20 -0.30 -0.19 0.00 0.00 0.00 0.00 46.02 45.72 1cdl n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1cdl s GLN 135 N -2.48 0.78 -0.33 1.61 -0.21 -1.26 -4.65 119.66 113.12 1cdl s GLN 135 Ca 0.00 -0.13 -0.15 0.00 0.02 0.00 0.00 55.36 55.10 1cdl s GLN 135 Cb 0.00 -0.78 -0.02 0.00 1.00 0.00 0.00 33.01 33.21 1cdl s GLN 135 CO 0.00 -0.03 0.36 0.08 -2.12 0.00 0.00 175.29 173.57 1cdl s VAL 136 N 0.69 5.17 0.67 1.09 1.01 -0.89 -4.79 120.40 123.36 1cdl s VAL 136 Ca -0.09 0.15 0.04 0.00 0.00 0.00 0.00 61.98 62.07 1cdl s VAL 136 Cb -0.12 -3.79 0.13 0.00 0.00 0.00 0.00 36.38 32.60 1cdl s VAL 136 CO 0.00 -0.03 0.92 -0.46 0.00 0.00 0.00 175.10 175.53 1cdl n ASN 137 N 5.36 1.67 -0.23 3.32 0.23 -1.26 -0.59 115.26 123.76 1cdl n ASN 137 Ca -0.09 -2.31 0.02 0.00 -0.53 0.00 0.00 54.58 51.67 1cdl n ASN 137 Cb 0.50 -0.56 0.14 0.00 -2.08 0.00 0.00 39.78 37.78 1cdl n ASN 137 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 1cdl h TYR 138 N -0.32 0.48 -0.28 -2.53 3.20 -1.98 0.19 116.97 115.73 1cdl h TYR 138 Ca -0.31 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.58 1cdl h TYR 138 Cb 1.24 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.38 1cdl h TYR 138 CO 0.00 0.11 0.11 1.49 -1.64 0.00 0.00 178.16 178.23 1cdl h GLU 139 N 0.45 0.41 0.15 1.82 4.22 -1.94 -0.04 114.58 119.66 1cdl h GLU 139 Ca 0.35 -0.07 0.02 0.00 0.08 0.00 0.00 59.36 59.74 1cdl h GLU 139 Cb 0.47 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 1cdl h GLU 139 CO -0.34 0.44 -0.35 1.49 -2.18 0.00 0.00 179.01 178.07 1cdl h GLU 140 N 0.30 -0.58 -0.22 1.92 4.57 -1.73 -1.33 114.58 117.51 1cdl h GLU 140 Ca 0.09 0.04 0.06 0.00 -1.18 0.00 0.00 59.36 58.37 1cdl h GLU 140 Cb 0.17 0.13 -0.07 0.00 -0.16 0.00 0.00 28.75 28.82 1cdl h GLU 140 CO -0.01 -0.38 -0.30 0.35 -1.18 0.00 0.00 179.01 177.49 1cdl h PHE 141 N -0.60 -0.82 0.17 0.92 3.04 -0.83 -2.82 116.94 116.01 1cdl h PHE 141 Ca 0.02 0.04 0.01 0.00 3.98 0.00 0.00 57.97 62.02 1cdl h PHE 141 Cb 0.61 0.39 -0.02 0.00 2.56 0.00 0.00 35.95 39.50 1cdl h PHE 141 CO -0.29 -0.37 -0.19 0.28 -2.02 0.00 0.00 178.31 175.72 1cdl h VAL 142 N -0.32 0.58 0.00 1.41 2.07 -0.68 0.31 116.25 119.62 1cdl h VAL 142 Ca 0.13 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.65 1cdl h VAL 142 Cb 0.52 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1cdl h VAL 142 CO -0.41 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.18 1cdl n GLN 143 N -5.32 0.14 -0.00 1.57 3.00 -0.53 -1.25 117.38 114.99 1cdl n GLN 143 Ca -0.08 0.59 0.00 0.00 -0.01 0.00 0.00 57.00 57.51 1cdl n GLN 143 Cb 0.23 -1.92 0.00 0.00 0.00 0.00 0.00 30.24 28.55 1cdl n GLN 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1cdl n MET 144 N -2.21 0.55 0.00 -1.09 0.00 -1.03 -4.92 117.12 108.43 1cdl n MET 144 Ca -0.01 -0.91 0.00 0.00 0.00 0.00 0.00 57.70 56.79 1cdl n MET 144 Cb 0.06 -1.01 0.00 0.00 0.00 0.00 0.00 33.22 32.27 1cdl n MET 144 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 175.97 174.64 1cdl n MET 145 N -0.15 0.00 0.00 3.17 2.81 0.07 -5.06 117.12 117.96 1cdl n MET 145 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1cdl n MET 145 Cb 0.11 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.62 1cdl n MET 145 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11