#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cdl h GLU 6 N 0.00 0.66 -1.00 -2.82 4.81 -2.05 -2.83 114.58 111.35 1cdl h GLU 6 Ca 0.00 -0.10 0.05 0.00 -0.13 0.00 0.00 59.36 59.18 1cdl h GLU 6 Cb 0.00 -0.12 -0.06 0.00 0.63 0.00 0.00 28.75 29.20 1cdl h GLU 6 CO 0.00 0.57 0.65 1.49 -0.73 0.00 0.00 179.01 180.99 1cdl h GLU 7 N 0.59 1.18 0.45 1.92 4.81 -2.05 0.20 114.58 121.68 1cdl h GLU 7 Ca 0.15 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1cdl h GLU 7 Cb 0.13 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 1cdl h GLU 7 CO -0.02 0.78 -0.44 1.96 -0.73 0.00 0.00 179.01 180.56 1cdl h GLN 8 N 1.22 -0.87 -0.83 1.92 4.20 -1.95 1.24 115.11 120.04 1cdl h GLN 8 Ca 0.42 0.06 0.07 0.00 0.06 0.00 0.00 58.65 59.26 1cdl h GLN 8 Cb 0.10 0.20 -0.06 0.00 0.30 0.00 0.00 27.48 28.02 1cdl h GLN 8 CO -0.15 -0.58 0.54 0.82 -0.67 0.00 0.00 178.83 178.79 1cdl h ILE 9 N -0.90 1.02 -0.56 2.54 2.04 -1.23 0.25 117.51 120.66 1cdl h ILE 9 Ca -0.05 -0.30 -0.06 0.00 1.00 0.00 0.00 64.86 65.46 1cdl h ILE 9 Cb 0.79 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 1cdl h ILE 9 CO -0.06 0.16 0.14 0.00 0.00 0.00 0.00 178.15 178.38 1cdl h ALA 10 N 1.56 0.74 0.00 1.87 0.00 0.88 0.93 119.26 125.25 1cdl h ALA 10 Ca 0.37 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 1cdl h ALA 10 Cb 0.29 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1cdl h ALA 10 CO -0.14 0.44 -0.37 0.93 0.00 0.00 0.00 179.25 180.11 1cdl h GLU 11 N 0.80 0.00 -0.06 0.00 5.08 0.35 0.29 114.58 121.04 1cdl h GLU 11 Ca 0.18 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.37 1cdl h GLU 11 Cb 0.35 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1cdl h GLU 11 CO 0.00 0.37 -0.70 0.74 -1.00 0.00 0.00 179.01 178.42 1cdl h PHE 12 N 0.00 0.38 -0.17 4.33 0.04 0.27 -0.10 116.94 121.68 1cdl h PHE 12 Ca -0.00 -0.17 -0.11 0.00 2.80 0.00 0.00 57.97 60.49 1cdl h PHE 12 Cb 0.67 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.76 1cdl h PHE 12 CO 0.00 0.89 -0.34 -0.22 -0.60 0.00 0.00 178.31 178.05 1cdl h LYS 13 N 0.20 0.53 -0.59 1.51 3.11 0.59 0.01 116.57 121.93 1cdl h LYS 13 Ca -0.02 -0.34 -0.00 0.00 -2.81 0.00 0.00 60.65 57.47 1cdl h LYS 13 Cb 1.26 0.04 -0.03 0.00 -1.00 0.00 0.00 32.23 32.50 1cdl h LYS 13 CO 0.11 0.95 0.36 0.93 -2.81 0.00 0.00 179.45 178.99 1cdl h GLU 14 N 0.18 0.79 -0.23 1.90 5.08 -0.38 -1.28 114.58 120.64 1cdl h GLU 14 Ca 0.01 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 1cdl h GLU 14 Cb 0.93 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 1cdl h GLU 14 CO 0.07 0.56 -0.10 0.00 -1.00 0.00 0.00 179.01 178.54 1cdl h ALA 15 N 1.59 0.32 -0.95 3.43 0.00 -0.83 -2.91 119.26 119.91 1cdl h ALA 15 Ca 0.21 -0.29 0.17 0.00 0.00 0.00 0.00 54.91 55.00 1cdl h ALA 15 Cb -0.04 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 17.58 1cdl h ALA 15 CO -0.04 0.16 0.55 0.35 0.00 0.00 0.00 179.25 180.27 1cdl h PHE 16 N 0.18 0.98 0.00 0.00 3.04 -0.05 0.08 116.94 121.17 1cdl h PHE 16 Ca 0.05 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.02 1cdl h PHE 16 Cb 0.59 -0.29 -0.00 0.00 2.56 0.00 0.00 35.95 38.81 1cdl h PHE 16 CO 0.06 0.25 -0.09 0.77 -2.02 0.00 0.00 178.31 177.28 1cdl h SER 17 N 0.75 0.00 -0.04 0.41 0.02 -1.06 0.32 113.55 113.95 1cdl h SER 17 Ca 0.53 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.44 1cdl h SER 17 Cb 0.76 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.28 1cdl h SER 17 CO -0.36 0.09 -0.05 -0.07 -1.14 0.00 0.00 176.83 175.29 1cdl h LEU 18 N 0.00 0.23 0.00 5.07 3.38 -0.98 -3.19 115.31 119.82 1cdl h LEU 18 Ca -0.00 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1cdl h LEU 18 Cb 0.16 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1cdl h LEU 18 CO 0.01 0.33 -0.24 -0.26 0.09 0.00 0.00 178.44 178.37 1cdl h PHE 19 N 0.24 0.00 0.00 1.13 -1.00 -1.11 -3.40 116.94 112.81 1cdl h PHE 19 Ca 0.06 0.00 -0.61 0.00 2.81 0.00 0.00 57.97 60.23 1cdl h PHE 19 Cb 0.26 0.00 0.04 0.00 3.61 0.00 0.00 35.95 39.86 1cdl h PHE 19 CO 0.00 0.12 2.35 -3.47 -1.61 0.00 0.00 178.31 175.71 1cdl n ASP 20 N -4.70 2.87 0.25 2.17 4.64 -0.07 -4.71 116.55 117.01 1cdl n ASP 20 Ca -0.05 -2.63 0.08 0.00 -1.38 0.00 0.00 54.79 50.82 1cdl n ASP 20 Cb 0.15 -1.11 0.62 0.00 -1.04 0.00 0.00 41.12 39.74 1cdl n ASP 20 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 1cdl h LYS 21 N 7.63 0.00 -0.00 -0.67 1.57 -1.78 -0.79 116.57 122.53 1cdl h LYS 21 Ca 0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.21 1cdl h LYS 21 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1cdl h LYS 21 CO 1.88 0.06 -0.12 -0.40 -0.57 0.00 0.00 179.45 180.31 1cdl n ASP 22 N -4.39 0.47 -0.62 0.86 3.85 -1.26 -4.91 116.55 110.55 1cdl n ASP 22 Ca -0.03 -0.54 -0.08 0.00 -0.71 0.00 0.00 54.79 53.43 1cdl n ASP 22 Cb 0.14 -0.08 -0.03 0.00 -1.35 0.00 0.00 41.12 39.80 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 1.29 0.78 0.31 6.12 0.00 -0.30 -4.77 105.19 108.62 1cdl n GLY 23 Ca 0.14 -0.01 0.19 0.00 0.00 0.00 0.00 46.02 46.34 1cdl n GLY 23 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1cdl h ASP 24 N 0.00 0.00 0.00 1.61 2.03 -1.91 -3.45 116.42 114.70 1cdl h ASP 24 Ca -0.17 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.13 1cdl h ASP 24 Cb 1.12 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.62 1cdl h ASP 24 CO 0.24 0.02 0.00 0.61 -1.03 0.00 0.00 179.24 179.08 1cdl n GLY 25 N -0.91 0.62 3.17 7.15 0.00 -1.26 -5.09 105.19 108.88 1cdl n GLY 25 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.00 0.12 -0.21 2.61 -4.23 -1.26 -4.24 115.64 106.43 1cdl s THR 26 Ca 0.00 -1.94 0.02 0.00 -1.18 0.00 0.00 61.69 58.58 1cdl s THR 26 Cb 0.00 -2.18 0.03 0.00 1.34 0.00 0.00 72.50 71.69 1cdl s THR 26 CO 0.00 -0.33 -0.16 -0.63 -0.54 0.00 0.00 174.62 172.95 1cdl s ILE 27 N -4.05 2.13 0.56 2.99 1.01 0.24 -4.68 121.20 119.41 1cdl s ILE 27 Ca 0.28 -1.17 0.04 0.00 0.00 0.00 0.00 60.65 59.81 1cdl s ILE 27 Cb 0.07 -2.02 0.06 0.00 0.01 0.00 0.00 42.46 40.58 1cdl s ILE 27 CO 0.05 0.34 0.77 0.42 0.00 0.00 0.00 174.94 176.52 1cdl s THR 28 N 1.23 2.54 0.43 2.92 -4.23 -1.26 -1.14 115.64 116.14 1cdl s THR 28 Ca 0.00 -0.81 0.16 0.00 -1.18 0.00 0.00 61.69 59.87 1cdl s THR 28 Cb -0.15 -2.74 0.19 0.00 1.34 0.00 0.00 72.50 71.14 1cdl s THR 28 CO -0.10 0.00 1.98 0.71 -0.54 0.00 0.00 174.62 176.67 1cdl h THR 29 N 0.12 1.06 -0.26 3.99 1.35 -1.91 -1.11 112.91 116.14 1cdl h THR 29 Ca -0.38 -0.72 -0.02 0.00 -0.55 0.00 0.00 66.41 64.74 1cdl h THR 29 Cb 1.28 1.40 -0.01 0.00 -1.73 0.00 0.00 68.15 69.09 1cdl h THR 29 CO 0.46 0.20 0.08 0.11 -0.25 0.00 0.00 175.52 176.11 1cdl h LYS 30 N 0.00 0.41 -0.25 4.72 1.57 -1.99 0.13 116.57 121.17 1cdl h LYS 30 Ca -0.00 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.64 1cdl h LYS 30 Cb 0.38 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1cdl h LYS 30 CO 0.03 0.49 -0.01 0.93 -0.57 0.00 0.00 179.45 180.32 1cdl h GLU 31 N 0.26 0.45 0.46 3.15 5.08 -1.74 -2.01 114.58 120.22 1cdl h GLU 31 Ca 0.08 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1cdl h GLU 31 Cb 0.25 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1cdl h GLU 31 CO -0.00 0.63 -0.33 1.25 -1.00 0.00 0.00 179.01 179.56 1cdl h LEU 32 N 0.22 -0.86 -0.78 1.33 6.46 -1.05 -2.23 115.31 118.40 1cdl h LEU 32 Ca 0.07 0.06 0.14 0.00 -0.12 0.00 0.00 57.88 58.03 1cdl h LEU 32 Cb 0.43 0.26 -0.14 0.00 -0.73 0.00 0.00 40.66 40.48 1cdl h LEU 32 CO 0.01 -0.48 -0.28 1.23 -0.62 0.00 0.00 178.44 178.31 1cdl h GLY 33 N -0.75 0.29 -0.00 3.75 0.00 -0.77 0.22 103.07 105.81 1cdl h GLY 33 Ca -0.06 0.36 0.05 0.00 0.00 0.00 0.00 47.33 47.68 1cdl h GLY 33 CO 0.03 -0.26 -0.40 -0.84 0.00 0.00 0.00 176.54 175.07 1cdl h THR 34 N -0.05 0.17 -0.29 4.70 2.02 -1.14 0.57 112.91 118.89 1cdl h THR 34 Ca 0.34 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.57 1cdl h THR 34 Cb 0.58 0.17 -0.05 0.00 -1.74 0.00 0.00 68.15 67.11 1cdl h THR 34 CO -0.82 0.00 -0.02 0.58 0.37 0.00 0.00 175.52 175.63 1cdl h VAL 35 N -0.45 0.77 0.02 3.16 2.07 -0.49 -0.97 116.25 120.36 1cdl h VAL 35 Ca 0.09 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.59 1cdl h VAL 35 Cb 0.60 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1cdl h VAL 35 CO -0.41 0.01 -0.04 0.24 0.02 0.00 0.00 177.57 177.39 1cdl h MET 36 N 0.06 -0.07 -0.91 1.57 2.07 0.99 -2.25 114.93 116.39 1cdl h MET 36 Ca 0.14 0.00 0.03 0.00 -2.07 0.00 0.00 59.70 57.80 1cdl h MET 36 Cb 0.19 0.02 -0.05 0.00 -1.87 0.00 0.00 31.60 29.89 1cdl h MET 36 CO -0.25 -0.05 0.59 0.00 1.07 0.00 0.00 176.91 178.27 1cdl h ARG 37 N -0.08 1.13 -0.93 1.72 3.08 0.13 -0.81 114.38 118.62 1cdl h ARG 37 Ca 0.01 -0.07 0.18 0.00 0.07 0.00 0.00 59.98 60.17 1cdl h ARG 37 Cb 0.08 -0.26 -0.08 0.00 0.08 0.00 0.00 29.97 29.80 1cdl h ARG 37 CO -0.02 0.75 0.60 0.77 -1.07 0.00 0.00 179.97 180.99 1cdl h SER 38 N 1.17 0.60 -0.35 7.04 0.02 -0.59 0.24 113.55 121.67 1cdl h SER 38 Ca 0.35 0.06 -0.14 0.00 -0.84 0.00 0.00 61.79 61.21 1cdl h SER 38 Cb -0.04 -0.06 -0.08 0.00 0.14 0.00 0.00 62.40 62.35 1cdl h SER 38 CO -0.10 0.26 0.18 0.18 -1.14 0.00 0.00 176.83 176.21 1cdl n LEU 39 N -4.59 4.02 0.00 5.07 7.99 -0.38 -4.84 117.00 124.27 1cdl n LEU 39 Ca 0.20 -2.08 0.00 0.00 -0.01 0.00 0.00 56.01 54.12 1cdl n LEU 39 Cb 0.58 -0.62 0.00 0.00 -0.11 0.00 0.00 43.42 43.27 1cdl n LEU 39 CO 0.28 0.62 0.00 0.61 -1.51 0.00 0.00 177.39 177.39 1cdl n GLY 40 N -0.03 1.58 3.57 -0.72 0.00 0.83 -4.95 105.19 105.48 1cdl n GLY 40 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.09 3.66 -0.48 1.61 -0.21 -0.81 -4.96 119.66 118.39 1cdl s GLN 41 Ca 0.00 0.21 -0.02 0.00 0.02 0.00 0.00 55.36 55.56 1cdl s GLN 41 Cb 0.00 -3.85 0.13 0.00 1.00 0.00 0.00 33.01 30.29 1cdl s GLN 41 CO 0.00 -0.94 0.28 1.21 -2.12 0.00 0.00 175.29 173.72 1cdl s ASN 42 N 1.94 5.19 -0.00 5.90 2.47 -1.26 -1.41 114.94 127.77 1cdl s ASN 42 Ca 0.31 -2.34 0.04 0.00 0.42 0.00 0.00 52.86 51.29 1cdl s ASN 42 Cb -0.13 -1.82 -0.03 0.00 -1.45 0.00 0.00 41.25 37.82 1cdl s ASN 42 CO 0.19 -0.47 -0.11 -2.16 -3.72 0.00 0.00 177.10 170.83 1cdl s PRO 43 N 0.69 2.44 0.80 0.43 0.05 -1.26 -5.08 135.00 133.07 1cdl s PRO 43 Ca 0.11 -0.77 -0.11 0.00 0.05 0.00 0.00 61.00 60.29 1cdl s PRO 43 Cb -0.22 -2.41 0.09 0.00 0.05 0.00 0.00 34.50 32.01 1cdl s PRO 43 CO -0.04 0.60 1.15 -0.08 0.05 0.00 0.00 177.00 178.68 1cdl s THR 44 N -0.91 2.07 0.30 1.26 -1.32 -1.26 -4.82 115.64 110.96 1cdl s THR 44 Ca 0.15 -0.08 0.14 0.00 -1.21 0.00 0.00 61.69 60.69 1cdl s THR 44 Cb -0.11 -2.99 0.14 0.00 -1.51 0.00 0.00 72.50 68.03 1cdl s THR 44 CO 0.05 0.00 1.35 -0.33 -2.21 0.00 0.00 174.62 173.49 1cdl h GLU 45 N -1.00 0.00 0.16 7.08 4.39 -1.99 -2.06 114.58 121.15 1cdl h GLU 45 Ca -0.45 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.24 1cdl h GLU 45 Cb 1.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 1cdl h GLU 45 CO 0.61 0.00 -0.08 0.00 -1.16 0.00 0.00 179.01 178.38 1cdl h ALA 46 N 0.94 -0.52 -0.62 3.43 0.00 -2.00 -2.24 119.26 118.24 1cdl h ALA 46 Ca 0.00 -0.05 0.13 0.00 0.00 0.00 0.00 54.91 54.99 1cdl h ALA 46 Cb 0.89 0.08 -0.11 0.00 0.00 0.00 0.00 17.79 18.66 1cdl h ALA 46 CO 0.00 -0.51 -0.01 0.93 0.00 0.00 0.00 179.25 179.66 1cdl h GLU 47 N -0.39 0.11 -0.84 0.00 3.07 -1.73 0.11 114.58 114.90 1cdl h GLU 47 Ca -0.02 -0.01 0.12 0.00 -0.50 0.00 0.00 59.36 58.95 1cdl h GLU 47 Cb 0.16 -0.02 -0.08 0.00 -0.84 0.00 0.00 28.75 27.97 1cdl h GLU 47 CO 0.04 0.07 0.46 -0.07 -1.40 0.00 0.00 179.01 178.11 1cdl h LEU 48 N 0.11 0.62 0.57 1.33 3.38 -1.61 -1.34 115.31 118.37 1cdl h LEU 48 Ca 0.33 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.34 1cdl h LEU 48 Cb 0.53 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1cdl h LEU 48 CO -0.54 0.31 -0.29 -0.61 0.09 0.00 0.00 178.44 177.40 1cdl h GLN 49 N 0.72 -0.76 0.00 1.13 4.15 -0.14 -2.35 115.11 117.86 1cdl h GLN 49 Ca 0.43 0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.89 1cdl h GLN 49 Cb 0.51 0.17 -0.00 0.00 0.21 0.00 0.00 27.48 28.37 1cdl h GLN 49 CO -0.30 -0.50 -0.07 -0.44 -1.93 0.00 0.00 178.83 175.58 1cdl h ASP 50 N -0.78 0.00 -0.31 -0.69 3.32 -1.21 -1.35 116.42 115.39 1cdl h ASP 50 Ca -0.07 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.88 1cdl h ASP 50 Cb 0.61 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 1cdl h ASP 50 CO 0.11 0.07 -0.14 0.24 -1.72 0.00 0.00 179.24 177.80 1cdl h MET 51 N 0.00 0.75 -0.07 3.56 2.86 -0.83 -2.11 114.93 119.09 1cdl h MET 51 Ca -0.00 -0.26 -0.07 0.00 -2.06 0.00 0.00 59.70 57.31 1cdl h MET 51 Cb 0.34 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 1cdl h MET 51 CO 0.01 0.85 -0.27 0.82 1.06 0.00 0.00 176.91 179.38 1cdl h ILE 52 N 0.67 1.23 -0.11 -1.22 5.03 -0.74 -3.12 117.51 119.24 1cdl h ILE 52 Ca 0.11 -1.06 -0.08 0.00 -0.12 0.00 0.00 64.86 63.71 1cdl h ILE 52 Cb 0.62 1.47 -0.01 0.00 -3.03 0.00 0.00 36.82 35.87 1cdl h ILE 52 CO 0.04 0.31 -0.29 0.78 -0.68 0.00 0.00 178.15 178.32 1cdl h ASN 53 N 0.12 0.20 0.69 1.72 2.35 -1.15 0.24 115.58 119.74 1cdl h ASN 53 Ca 0.02 -0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.69 1cdl h ASN 53 Cb 0.54 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.86 1cdl h ASN 53 CO 0.04 0.49 -0.09 1.05 -1.65 0.00 0.00 177.43 177.26 1cdl h GLU 54 N 0.18 0.00 0.00 0.81 4.11 -1.48 -3.33 114.58 114.87 1cdl h GLU 54 Ca 0.03 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.21 1cdl h GLU 54 Cb 0.61 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.82 1cdl h GLU 54 CO 0.04 0.09 -1.87 0.28 0.07 0.00 0.00 179.01 177.63 1cdl n VAL 55 N -3.32 0.86 -1.46 -1.06 0.31 -1.10 -4.93 118.33 107.64 1cdl n VAL 55 Ca -0.01 -0.28 -0.13 0.00 -0.01 0.00 0.00 64.34 63.92 1cdl n VAL 55 Cb 0.29 -1.36 -0.11 0.00 -0.91 0.00 0.00 33.84 31.75 1cdl n VAL 55 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1cdl n ASP 56 N -3.31 0.32 -0.02 4.52 2.03 0.05 -4.74 116.55 115.41 1cdl n ASP 56 Ca -0.29 -1.53 -0.11 0.00 0.52 0.00 0.00 54.79 53.38 1cdl n ASP 56 Cb 0.75 -1.26 0.02 0.00 -0.72 0.00 0.00 41.12 39.92 1cdl n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1cdl h ALA 57 N 11.45 0.62 -0.04 -1.67 0.00 -1.89 -2.89 119.26 124.83 1cdl h ALA 57 Ca 0.01 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1cdl h ALA 57 Cb 1.03 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1cdl h ALA 57 CO 1.14 0.69 0.00 -0.40 0.00 0.00 0.00 179.25 180.68 1cdl n ASP 58 N -3.97 0.46 -1.37 0.00 5.75 -1.26 -4.91 116.55 111.25 1cdl n ASP 58 Ca -0.04 -1.43 -0.17 0.00 -0.01 0.00 0.00 54.79 53.14 1cdl n ASP 58 Cb 0.62 -0.02 -0.07 0.00 -1.03 0.00 0.00 41.12 40.61 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 0.92 1.64 0.41 6.12 0.00 -1.09 -4.87 105.19 108.31 1cdl n GLY 59 Ca 0.16 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.19 1.03 0.00 1.61 6.94 -1.26 -4.88 115.26 117.51 1cdl n ASN 60 Ca -0.17 -2.06 0.00 0.00 -0.02 0.00 0.00 54.58 52.33 1cdl n ASN 60 Cb 0.63 -0.27 0.00 0.00 -2.36 0.00 0.00 39.78 37.77 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 0.40 0.40 3.09 4.83 0.00 -1.26 -4.94 105.19 107.70 1cdl n GLY 61 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 1cdl n GLY 61 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1cdl s THR 62 N -1.79 0.54 -0.24 2.61 -1.32 -1.26 -4.75 115.64 109.44 1cdl s THR 62 Ca 0.00 -1.34 -0.17 0.00 -1.21 0.00 0.00 61.69 58.97 1cdl s THR 62 Cb 0.00 -0.93 -0.03 0.00 -1.51 0.00 0.00 72.50 70.03 1cdl s THR 62 CO 0.00 -0.56 0.44 -0.63 -2.21 0.00 0.00 174.62 171.66 1cdl s ILE 63 N -2.13 5.14 0.39 5.08 1.01 -0.29 -4.85 121.20 125.56 1cdl s ILE 63 Ca -0.04 0.75 0.08 0.00 0.00 0.00 0.00 60.65 61.44 1cdl s ILE 63 Cb -0.05 -3.76 -0.02 0.00 0.01 0.00 0.00 42.46 38.64 1cdl s ILE 63 CO -0.02 0.17 0.40 1.51 0.00 0.00 0.00 174.94 177.00 1cdl s ASP 64 N 1.35 5.31 0.26 3.58 1.47 -1.26 0.82 116.67 128.20 1cdl s ASP 64 Ca 0.19 -0.57 -0.01 0.00 1.18 0.00 0.00 52.55 53.34 1cdl s ASP 64 Cb -0.15 -0.75 0.52 0.00 -0.34 0.00 0.00 42.92 42.19 1cdl s ASP 64 CO 0.09 -0.57 1.78 0.15 0.68 0.00 0.00 175.17 177.30 1cdl h PHE 65 N 1.01 0.83 -0.62 2.11 -0.00 -1.99 0.17 116.94 118.45 1cdl h PHE 65 Ca -0.42 0.03 -0.05 0.00 -0.00 0.00 0.00 57.97 57.53 1cdl h PHE 65 Cb 1.26 -0.24 -0.03 0.00 -0.00 0.00 0.00 35.95 36.95 1cdl h PHE 65 CO 0.49 0.24 0.18 -1.35 -0.00 0.00 0.00 178.31 177.86 1cdl h PRO 66 N 0.69 0.95 -0.20 6.41 0.11 -1.96 0.26 132.00 138.26 1cdl h PRO 66 Ca 0.46 -0.19 -0.03 0.00 0.11 0.00 0.00 66.00 66.35 1cdl h PRO 66 Cb 0.60 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 1cdl h PRO 66 CO -0.33 0.82 -0.01 0.93 -0.21 0.00 0.00 178.00 179.20 1cdl h GLU 67 N 0.91 0.35 -0.63 1.05 5.08 -1.67 -0.65 114.58 119.02 1cdl h GLU 67 Ca 0.20 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1cdl h GLU 67 Cb 0.28 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 1cdl h GLU 67 CO -0.01 0.56 0.33 0.35 -1.00 0.00 0.00 179.01 179.24 1cdl h PHE 68 N 0.10 0.85 0.06 4.33 3.57 -0.56 -1.81 116.94 123.49 1cdl h PHE 68 Ca 0.05 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 1cdl h PHE 68 Cb 0.41 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.87 1cdl h PHE 68 CO 0.04 0.61 -0.03 1.25 -2.23 0.00 0.00 178.31 177.95 1cdl h LEU 69 N 0.87 -0.07 -0.70 0.59 7.12 -0.17 -1.83 115.31 121.13 1cdl h LEU 69 Ca 0.22 -0.26 0.06 0.00 0.13 0.00 0.00 57.88 58.03 1cdl h LEU 69 Cb 0.05 0.02 -0.05 0.00 -0.53 0.00 0.00 40.66 40.14 1cdl h LEU 69 CO -0.03 0.22 0.41 0.74 -0.13 0.00 0.00 178.44 179.64 1cdl h THR 70 N -0.36 1.00 -0.03 1.05 2.02 -0.88 0.16 112.91 115.86 1cdl h THR 70 Ca -0.01 -0.26 0.03 0.00 0.77 0.00 0.00 66.41 66.94 1cdl h THR 70 Cb 0.32 0.18 -0.04 0.00 -1.74 0.00 0.00 68.15 66.87 1cdl h THR 70 CO 0.01 0.14 -0.17 -0.03 0.37 0.00 0.00 175.52 175.84 1cdl h MET 71 N 0.75 -0.25 0.00 6.66 1.85 -1.21 0.67 114.93 123.40 1cdl h MET 71 Ca 0.31 0.02 -0.05 0.00 -0.61 0.00 0.00 59.70 59.37 1cdl h MET 71 Cb 0.16 0.06 -0.01 0.00 0.43 0.00 0.00 31.60 32.24 1cdl h MET 71 CO -0.17 -0.17 -0.21 0.52 -0.40 0.00 0.00 176.91 176.48 1cdl h MET 72 N -0.26 0.00 0.00 0.39 2.86 -0.65 -2.65 114.93 114.61 1cdl h MET 72 Ca 0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1cdl h MET 72 Cb 0.34 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.00 1cdl h MET 72 CO -0.18 0.21 -0.76 0.00 1.06 0.00 0.00 176.91 177.25 1cdl n ALA 73 N -2.26 3.40 -1.64 6.32 0.00 0.51 -4.86 120.51 121.98 1cdl n ALA 73 Ca -0.01 -0.36 -0.42 0.00 0.00 0.00 0.00 53.44 52.65 1cdl n ALA 73 Cb 0.37 -1.06 -0.03 0.00 0.00 0.00 0.00 19.45 18.73 1cdl n ALA 73 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1cdl s ARG 74 N -3.12 3.05 0.19 0.00 3.52 0.20 -4.94 118.95 117.86 1cdl s ARG 74 Ca 0.07 1.91 -0.30 0.00 -0.13 0.00 0.00 55.73 57.28 1cdl s ARG 74 Cb 0.15 -4.38 -0.08 0.00 -1.56 0.00 0.00 34.95 29.09 1cdl s ARG 74 CO 0.75 -2.19 1.04 0.15 -0.81 0.00 0.00 175.30 174.24 1cdl s LYS 75 N 6.46 4.68 0.51 5.12 1.02 -1.26 -5.03 119.74 131.24 1cdl s LYS 75 Ca 0.98 1.63 0.03 0.00 0.02 0.00 0.00 55.97 58.63 1cdl s LYS 75 Cb -0.31 -3.29 -0.01 0.00 -0.52 0.00 0.00 37.83 33.71 1cdl s LYS 75 CO 0.34 0.22 0.11 -1.64 -0.92 0.00 0.00 175.35 173.46 1cdl s MET 76 N -0.63 2.20 0.43 1.68 1.00 -1.26 -5.12 119.30 117.61 1cdl s MET 76 Ca 0.46 -2.27 -0.24 0.00 0.00 0.00 0.00 55.69 53.65 1cdl s MET 76 Cb -0.28 -1.70 -0.08 0.00 0.00 0.00 0.00 34.83 32.78 1cdl s MET 76 CO 0.34 -0.39 1.17 0.15 0.00 0.00 0.00 175.02 176.29 1cdl s LYS 77 N -3.97 3.88 0.44 2.03 3.01 -1.26 -4.78 119.74 119.09 1cdl s LYS 77 Ca 0.16 1.81 0.22 0.00 -1.01 0.00 0.00 55.97 57.15 1cdl s LYS 77 Cb 0.01 -2.53 1.19 0.00 -1.01 0.00 0.00 37.83 35.50 1cdl s LYS 77 CO 0.09 -0.46 1.82 -0.44 0.51 0.00 0.00 175.35 176.87 1cdl h ASP 78 N 2.30 0.33 0.24 2.83 5.19 -1.99 0.55 116.42 125.87 1cdl h ASP 78 Ca -0.49 0.05 -0.13 0.00 -0.62 0.00 0.00 57.03 55.84 1cdl h ASP 78 Cb 1.24 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.73 1cdl h ASP 78 CO 0.61 0.09 -0.51 0.71 -3.12 0.00 0.00 179.24 177.03 1cdl h THR 79 N 0.31 1.34 -0.22 0.35 1.35 -2.00 -1.94 112.91 112.09 1cdl h THR 79 Ca 0.53 -1.76 -0.20 0.00 -0.55 0.00 0.00 66.41 64.43 1cdl h THR 79 Cb 1.50 1.82 0.00 0.00 -1.73 0.00 0.00 68.15 69.75 1cdl h THR 79 CO -0.19 0.53 -0.65 0.44 -0.25 0.00 0.00 175.52 175.40 1cdl h ASP 80 N 0.24 0.94 -0.06 5.36 5.19 -0.33 -2.85 116.42 124.90 1cdl h ASP 80 Ca 0.01 -0.56 -0.00 0.00 -0.62 0.00 0.00 57.03 55.86 1cdl h ASP 80 Cb 0.98 -0.27 -0.00 0.00 0.18 0.00 0.00 39.33 40.21 1cdl h ASP 80 CO 0.08 1.35 0.03 0.28 -3.12 0.00 0.00 179.24 177.87 1cdl h SER 81 N 0.60 0.08 -0.56 6.45 0.02 -1.00 -0.74 113.55 118.40 1cdl h SER 81 Ca -0.02 -0.10 0.09 0.00 -0.84 0.00 0.00 61.79 60.92 1cdl h SER 81 Cb 1.27 -0.02 -0.07 0.00 0.14 0.00 0.00 62.40 63.71 1cdl h SER 81 CO 0.14 0.16 0.18 -0.08 -1.14 0.00 0.00 176.83 176.09 1cdl h GLU 82 N -0.00 0.33 -0.40 3.45 4.81 -1.36 0.59 114.58 122.00 1cdl h GLU 82 Ca 0.02 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 1cdl h GLU 82 Cb 0.10 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 1cdl h GLU 82 CO -0.00 0.22 0.03 1.49 -0.73 0.00 0.00 179.01 180.02 1cdl h GLU 83 N 0.34 0.62 -0.81 1.92 4.57 -1.39 0.34 114.58 120.16 1cdl h GLU 83 Ca 0.28 -0.13 -0.00 0.00 -1.18 0.00 0.00 59.36 58.33 1cdl h GLU 83 Cb 0.36 -0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 28.82 1cdl h GLU 83 CO -0.31 0.62 0.49 1.49 -1.18 0.00 0.00 179.01 180.12 1cdl h GLU 84 N 0.60 1.10 0.25 1.92 4.81 0.62 0.36 114.58 124.25 1cdl h GLU 84 Ca 0.13 -0.10 -0.34 0.00 -0.13 0.00 0.00 59.36 58.92 1cdl h GLU 84 Cb 0.33 -0.23 0.04 0.00 0.63 0.00 0.00 28.75 29.51 1cdl h GLU 84 CO 0.01 0.77 -1.50 0.82 -0.73 0.00 0.00 179.01 178.38 1cdl h ILE 85 N 1.12 1.27 -0.75 2.32 2.04 0.10 -1.70 117.51 121.91 1cdl h ILE 85 Ca 0.29 -2.70 0.07 0.00 1.00 0.00 0.00 64.86 63.52 1cdl h ILE 85 Cb -0.05 3.03 -0.06 0.00 -0.74 0.00 0.00 36.82 39.01 1cdl h ILE 85 CO -0.05 0.81 0.43 0.03 0.00 0.00 0.00 178.15 179.37 1cdl h ARG 86 N 0.15 0.76 -0.40 2.37 2.47 -0.18 0.88 114.38 120.42 1cdl h ARG 86 Ca -0.26 -0.05 -0.13 0.00 -1.26 0.00 0.00 59.98 58.29 1cdl h ARG 86 Cb 2.17 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 30.31 1cdl h ARG 86 CO 0.27 0.50 -0.24 1.49 0.56 0.00 0.00 179.97 182.56 1cdl h GLU 87 N 0.78 0.88 -0.55 0.04 4.81 -0.98 -1.17 114.58 118.39 1cdl h GLU 87 Ca 0.34 -0.40 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 1cdl h GLU 87 Cb 0.22 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 1cdl h GLU 87 CO -0.19 1.05 0.25 0.00 -0.73 0.00 0.00 179.01 179.39 1cdl h ALA 88 N 0.81 1.41 -0.34 2.92 0.00 -0.12 -1.73 119.26 122.21 1cdl h ALA 88 Ca 0.08 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1cdl h ALA 88 Cb 0.81 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1cdl h ALA 88 CO 0.07 0.46 0.03 0.35 0.00 0.00 0.00 179.25 180.16 1cdl h PHE 89 N 0.77 0.61 -1.00 0.00 3.57 0.12 -2.94 116.94 118.07 1cdl h PHE 89 Ca 0.19 -0.09 0.10 0.00 3.53 0.00 0.00 57.97 61.70 1cdl h PHE 89 Cb 0.10 -0.16 -0.08 0.00 2.79 0.00 0.00 35.95 38.60 1cdl h PHE 89 CO 0.01 0.66 0.64 0.00 -2.23 0.00 0.00 178.31 177.39 1cdl h ARG 90 N 0.39 1.02 0.14 1.11 3.08 -0.36 -1.55 114.38 118.20 1cdl h ARG 90 Ca 0.10 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 1cdl h ARG 90 Cb 0.39 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1cdl h ARG 90 CO 0.01 0.68 -0.10 0.28 -1.07 0.00 0.00 179.97 179.76 1cdl h VAL 91 N 1.05 0.77 -0.14 2.04 2.07 -1.22 -3.01 116.25 117.81 1cdl h VAL 91 Ca 0.48 0.00 0.02 0.00 0.82 0.00 0.00 66.70 68.02 1cdl h VAL 91 Cb 0.39 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1cdl h VAL 91 CO -0.23 0.00 0.02 -0.26 0.02 0.00 0.00 177.57 177.12 1cdl h PHE 92 N -0.25 0.03 -1.36 1.57 0.04 -1.40 -3.27 116.94 112.31 1cdl h PHE 92 Ca -0.00 0.01 -0.72 0.00 2.80 0.00 0.00 57.97 60.06 1cdl h PHE 92 Cb 0.22 0.01 -0.12 0.00 2.20 0.00 0.00 35.95 38.26 1cdl h PHE 92 CO -0.10 0.01 1.95 -3.47 -0.60 0.00 0.00 178.31 176.10 1cdl n ASP 93 N -5.10 4.95 0.26 2.17 4.64 -0.63 -4.54 116.55 118.30 1cdl n ASP 93 Ca -0.04 -2.96 0.15 0.00 -1.38 0.00 0.00 54.79 50.56 1cdl n ASP 93 Cb 0.07 -1.63 0.53 0.00 -1.04 0.00 0.00 41.12 39.06 1cdl n ASP 93 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 1cdl h LYS 94 N 6.95 0.00 -0.18 -0.67 1.79 -1.65 -2.37 116.57 120.45 1cdl h LYS 94 Ca 0.40 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.87 1cdl h LYS 94 Cb 0.81 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.46 1cdl h LYS 94 CO 1.45 0.04 0.00 -0.40 -1.08 0.00 0.00 179.45 179.46 1cdl n ASP 95 N -3.14 0.91 -4.48 0.86 3.85 -1.26 -4.88 116.55 108.41 1cdl n ASP 95 Ca 0.01 -2.00 -0.42 0.00 -0.71 0.00 0.00 54.79 51.67 1cdl n ASP 95 Cb 0.38 -0.12 -0.07 0.00 -1.35 0.00 0.00 41.12 39.96 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 0.76 -0.41 1.07 6.12 0.00 -0.89 -4.79 105.19 107.05 1cdl n GLY 96 Ca 0.06 0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.50 3.33 0.00 1.61 6.94 -1.26 -4.97 115.26 118.41 1cdl n ASN 97 Ca 0.11 -1.96 0.00 0.00 -0.02 0.00 0.00 54.58 52.71 1cdl n ASN 97 Cb 0.46 -0.22 0.00 0.00 -2.36 0.00 0.00 39.78 37.66 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 1.38 1.45 3.14 4.83 0.00 -1.26 -5.03 105.19 109.69 1cdl n GLY 98 Ca 0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.11 1.23 -0.35 1.61 1.51 -1.26 -4.08 117.35 112.90 1cdl s TYR 99 Ca 0.00 -0.33 -0.12 0.00 -1.01 0.00 0.00 57.07 55.61 1cdl s TYR 99 Cb 0.00 -0.74 -0.01 0.00 -0.11 0.00 0.00 41.96 41.10 1cdl s TYR 99 CO 0.00 0.02 0.23 0.42 -1.11 0.00 0.00 175.55 175.12 1cdl s ILE 100 N -0.75 5.12 0.72 2.71 1.01 0.14 -4.76 121.20 125.39 1cdl s ILE 100 Ca 0.02 -0.35 -0.09 0.00 0.00 0.00 0.00 60.65 60.24 1cdl s ILE 100 Cb -0.07 -3.67 0.05 0.00 0.01 0.00 0.00 42.46 38.78 1cdl s ILE 100 CO 0.01 -0.05 1.06 -0.94 0.00 0.00 0.00 174.94 175.02 1cdl s SER 101 N 1.69 4.92 0.49 3.58 1.04 -1.26 -1.08 113.70 123.07 1cdl s SER 101 Ca 0.05 0.67 0.17 0.00 0.48 0.00 0.00 55.95 57.33 1cdl s SER 101 Cb -0.18 -1.34 1.19 0.00 0.10 0.00 0.00 66.02 65.79 1cdl s SER 101 CO 0.09 -1.58 2.06 0.00 0.98 0.00 0.00 173.24 174.80 1cdl h ALA 102 N -0.68 1.71 -0.15 5.32 0.00 -1.94 -0.85 119.26 122.67 1cdl h ALA 102 Ca -0.45 -0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.17 1cdl h ALA 102 Cb 1.30 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.08 1cdl h ALA 102 CO 0.62 0.15 -0.61 0.00 0.00 0.00 0.00 179.25 179.40 1cdl h ALA 103 N 1.88 0.28 -0.05 0.00 0.00 -1.98 -1.92 119.26 117.47 1cdl h ALA 103 Ca -0.00 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 1cdl h ALA 103 Cb 0.22 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1cdl h ALA 103 CO 0.02 0.54 0.00 0.93 0.00 0.00 0.00 179.25 180.74 1cdl h GLU 104 N 0.38 0.09 -0.10 0.00 5.08 -1.61 -0.31 114.58 118.10 1cdl h GLU 104 Ca -0.03 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1cdl h GLU 104 Cb 1.25 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 1cdl h GLU 104 CO 0.13 0.35 0.07 1.25 -1.00 0.00 0.00 179.01 179.81 1cdl h LEU 105 N -0.19 0.12 -0.98 1.33 5.85 -1.27 -0.72 115.31 119.46 1cdl h LEU 105 Ca 0.01 -0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.81 1cdl h LEU 105 Cb 0.31 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.24 1cdl h LEU 105 CO 0.00 0.09 0.62 -0.09 -0.34 0.00 0.00 178.44 178.72 1cdl h ARG 106 N 0.14 1.06 -0.66 1.25 2.43 -1.33 -1.29 114.38 115.99 1cdl h ARG 106 Ca 0.04 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.09 1cdl h ARG 106 Cb -0.02 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 29.27 1cdl h ARG 106 CO -0.01 0.70 0.19 0.45 -1.51 0.00 0.00 179.97 179.79 1cdl h HIS 107 N 1.10 1.04 0.05 2.20 3.86 -0.05 -1.58 115.15 121.77 1cdl h HIS 107 Ca 0.44 -0.10 -0.00 0.00 -1.16 0.00 0.00 60.37 59.55 1cdl h HIS 107 Cb 0.25 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.42 1cdl h HIS 107 CO -0.01 0.84 -0.03 0.28 0.86 0.00 0.00 177.93 179.88 1cdl h VAL 108 N 0.97 1.25 -0.58 2.45 2.07 -0.22 -1.41 116.25 120.78 1cdl h VAL 108 Ca 0.21 -1.09 0.05 0.00 0.82 0.00 0.00 66.70 66.69 1cdl h VAL 108 Cb 0.30 1.96 -0.05 0.00 -1.52 0.00 0.00 31.29 31.98 1cdl h VAL 108 CO -0.01 0.27 0.32 0.24 0.02 0.00 0.00 177.57 178.41 1cdl h MET 109 N -0.57 0.59 -0.63 1.57 2.07 -1.23 0.31 114.93 117.04 1cdl h MET 109 Ca -0.01 -0.04 -0.04 0.00 -2.07 0.00 0.00 59.70 57.55 1cdl h MET 109 Cb 0.50 -0.13 -0.03 0.00 -1.87 0.00 0.00 31.60 30.07 1cdl h MET 109 CO 0.01 0.39 0.23 1.15 1.07 0.00 0.00 176.91 179.77 1cdl h THR 110 N 0.61 1.24 0.00 2.22 2.02 -1.33 0.44 112.91 118.10 1cdl h THR 110 Ca 0.25 -0.76 -0.03 0.00 0.77 0.00 0.00 66.41 66.64 1cdl h THR 110 Cb 0.14 0.56 -0.00 0.00 -1.74 0.00 0.00 68.15 67.10 1cdl h THR 110 CO -0.16 0.30 -0.15 0.78 0.37 0.00 0.00 175.52 176.66 1cdl h ASN 111 N 0.88 0.00 0.41 4.18 4.21 -0.02 -1.24 115.58 124.00 1cdl h ASN 111 Ca 0.21 0.00 -0.24 0.00 1.21 0.00 0.00 56.30 57.48 1cdl h ASN 111 Cb 0.23 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.43 1cdl h ASN 111 CO -0.01 0.15 -1.04 -0.07 -1.29 0.00 0.00 177.43 175.17 1cdl h LEU 112 N 0.00 0.51 0.00 1.61 3.38 0.56 -3.45 115.31 117.92 1cdl h LEU 112 Ca -0.00 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1cdl h LEU 112 Cb 0.29 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1cdl h LEU 112 CO 0.02 1.27 0.00 0.61 0.09 0.00 0.00 178.44 180.43 1cdl n GLY 113 N 1.12 0.98 2.62 0.83 0.00 0.05 -4.89 105.19 105.90 1cdl n GLY 113 Ca -0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 1cdl n GLY 113 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1cdl n GLU 114 N 0.00 2.01 -0.90 1.61 0.28 -0.83 -5.02 120.64 117.80 1cdl n GLU 114 Ca 0.00 -3.64 -0.31 0.00 -0.16 0.00 0.00 57.16 53.05 1cdl n GLU 114 Cb 0.00 -1.66 -0.02 0.00 1.43 0.00 0.00 31.44 31.19 1cdl n GLU 114 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1cdl n LYS 115 N -0.42 0.00 -3.91 3.44 5.02 -1.26 -4.77 118.16 116.25 1cdl n LYS 115 Ca 0.17 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.36 1cdl n LYS 115 Cb 0.81 -0.66 -0.06 0.00 -0.02 0.00 0.00 35.03 35.10 1cdl n LYS 115 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 1cdl s LEU 116 N 1.74 0.65 0.92 -0.35 0.05 -1.26 -5.07 118.68 115.36 1cdl s LEU 116 Ca 0.42 -0.79 -0.10 0.00 0.05 0.00 0.00 54.13 53.71 1cdl s LEU 116 Cb -0.61 1.50 0.15 0.00 -2.05 0.00 0.00 46.19 45.18 1cdl s LEU 116 CO 0.36 -0.97 1.12 -0.89 -0.55 0.00 0.00 176.35 175.42 1cdl s THR 117 N -3.95 2.27 -0.02 5.48 2.01 -1.26 -4.88 115.64 115.29 1cdl s THR 117 Ca 0.16 0.09 -0.25 0.00 0.31 0.00 0.00 61.69 62.00 1cdl s THR 117 Cb 0.02 -2.20 -0.20 0.00 0.01 0.00 0.00 72.50 70.13 1cdl s THR 117 CO 0.01 -0.12 1.24 0.44 -0.69 0.00 0.00 174.62 175.50 1cdl h ASP 118 N -1.83 0.10 -0.97 3.53 3.45 -2.02 -2.62 116.42 116.07 1cdl h ASP 118 Ca -0.45 -0.53 0.19 0.00 0.43 0.00 0.00 57.03 56.66 1cdl h ASP 118 Cb 1.27 -0.03 -0.09 0.00 -0.56 0.00 0.00 39.33 39.92 1cdl h ASP 118 CO 0.44 0.61 0.61 -0.33 -1.57 0.00 0.00 179.24 179.01 1cdl h GLU 119 N -0.42 0.63 0.73 3.56 3.07 -1.99 -0.45 114.58 119.72 1cdl h GLU 119 Ca 0.00 -0.04 -0.04 0.00 -0.50 0.00 0.00 59.36 58.79 1cdl h GLU 119 Cb 0.59 -0.14 0.01 0.00 -0.84 0.00 0.00 28.75 28.37 1cdl h GLU 119 CO 0.01 0.42 -0.35 1.49 -1.40 0.00 0.00 179.01 179.18 1cdl h GLU 120 N 0.65 -0.94 -0.36 2.33 4.81 -1.89 0.11 114.58 119.28 1cdl h GLU 120 Ca 0.53 0.06 0.09 0.00 -0.13 0.00 0.00 59.36 59.91 1cdl h GLU 120 Cb 0.96 0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 1cdl h GLU 120 CO -0.29 -0.62 0.26 -0.39 -0.73 0.00 0.00 179.01 177.23 1cdl h VAL 121 N -1.00 0.86 -0.10 0.32 -1.51 -0.83 -1.12 116.25 112.87 1cdl h VAL 121 Ca -0.10 -0.03 -0.14 0.00 -1.23 0.00 0.00 66.70 65.20 1cdl h VAL 121 Cb 0.76 0.76 0.01 0.00 -2.13 0.00 0.00 31.29 30.68 1cdl h VAL 121 CO 0.16 0.02 -0.47 0.44 -1.23 0.00 0.00 177.57 176.49 1cdl h ASP 122 N 0.09 0.59 -0.00 4.19 3.45 -0.62 -1.92 116.42 122.21 1cdl h ASP 122 Ca 0.17 -0.64 -0.06 0.00 0.43 0.00 0.00 57.03 56.94 1cdl h ASP 122 Cb 0.56 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 39.14 1cdl h ASP 122 CO -0.02 1.13 -0.14 1.05 -1.57 0.00 0.00 179.24 179.70 1cdl h GLU 123 N 0.09 0.29 -0.43 3.56 4.11 0.01 0.21 114.58 122.43 1cdl h GLU 123 Ca -0.03 -0.07 -0.09 0.00 0.07 0.00 0.00 59.36 59.24 1cdl h GLU 123 Cb 1.11 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 1cdl h GLU 123 CO 0.10 0.44 -0.11 0.52 0.07 0.00 0.00 179.01 180.03 1cdl h MET 124 N 0.27 0.77 0.51 1.06 2.86 -1.18 0.30 114.93 119.52 1cdl h MET 124 Ca 0.05 -0.25 -0.03 0.00 -2.06 0.00 0.00 59.70 57.42 1cdl h MET 124 Cb 0.42 -0.07 0.01 0.00 0.06 0.00 0.00 31.60 32.01 1cdl h MET 124 CO 0.02 0.85 -0.25 0.82 1.06 0.00 0.00 176.91 179.41 1cdl h ILE 125 N 0.70 0.39 -0.48 -1.22 1.08 -0.41 -2.66 117.51 114.89 1cdl h ILE 125 Ca 0.12 -0.37 0.14 0.00 -0.39 0.00 0.00 64.86 64.36 1cdl h ILE 125 Cb 0.58 0.52 -0.02 0.00 -3.07 0.00 0.00 36.82 34.83 1cdl h ILE 125 CO 0.04 0.05 0.45 0.03 -0.69 0.00 0.00 178.15 178.03 1cdl h ARG 126 N -0.95 0.00 -0.34 2.37 3.08 -0.31 0.28 114.38 118.52 1cdl h ARG 126 Ca -0.07 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.84 1cdl h ARG 126 Cb 0.61 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 1cdl h ARG 126 CO 0.12 0.00 -0.37 0.93 -1.07 0.00 0.00 179.97 179.58 1cdl h GLU 127 N 0.00 0.78 0.00 0.04 5.08 -0.07 -3.32 114.58 117.10 1cdl h GLU 127 Ca 0.23 -0.39 -0.35 0.00 -1.00 0.00 0.00 59.36 57.85 1cdl h GLU 127 Cb 1.13 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.32 1cdl h GLU 127 CO -0.00 1.02 -2.17 0.00 -1.00 0.00 0.00 179.01 176.85 1cdl n ALA 128 N -2.52 1.47 -1.72 3.43 0.00 -0.13 -4.78 120.51 116.26 1cdl n ALA 128 Ca -0.02 -1.12 -0.18 0.00 0.00 0.00 0.00 53.44 52.12 1cdl n ALA 128 Cb 0.52 -0.40 -0.10 0.00 0.00 0.00 0.00 19.45 19.47 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 -2.90 1.83 0.12 0.00 2.03 0.81 -4.75 116.55 113.69 1cdl n ASP 129 Ca -0.29 -2.55 -0.13 0.00 0.52 0.00 0.00 54.79 52.34 1cdl n ASP 129 Cb 1.11 -1.74 -0.08 0.00 -0.72 0.00 0.00 41.12 39.69 1cdl n ASP 129 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 1cdl h ILE 130 N 6.54 0.84 0.00 5.18 3.07 -1.86 -3.24 117.51 128.04 1cdl h ILE 130 Ca 0.06 -0.55 0.00 0.00 1.55 0.00 0.00 64.86 65.93 1cdl h ILE 130 Cb 0.98 1.15 0.00 0.00 -0.27 0.00 0.00 36.82 38.68 1cdl h ILE 130 CO 1.07 0.12 0.00 -0.90 -1.05 0.00 0.00 178.15 177.39 1cdl n ASP 131 N -5.10 0.12 0.00 2.16 3.85 -1.26 -4.89 116.55 111.42 1cdl n ASP 131 Ca -0.09 0.53 0.00 0.00 -0.71 0.00 0.00 54.79 54.52 1cdl n ASP 131 Cb 0.23 -0.56 0.00 0.00 -1.35 0.00 0.00 41.12 39.44 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 -0.01 1.03 0.37 6.12 0.00 -1.22 -4.92 105.19 106.56 1cdl n GLY 132 Ca 0.03 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.24 1cdl n GLY 132 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1cdl h ASP 133 N 0.00 0.00 0.00 1.61 3.04 -1.90 -3.44 116.42 115.73 1cdl h ASP 133 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1cdl h ASP 133 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 1cdl h ASP 133 CO 0.00 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.81 1cdl n GLY 134 N -1.45 0.75 3.05 7.15 0.00 -1.26 -5.04 105.19 108.39 1cdl n GLY 134 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.48 0.49 -0.33 1.61 -0.21 -1.26 -4.59 119.66 114.89 1cdl s GLN 135 Ca 0.00 -0.85 -0.11 0.00 0.02 0.00 0.00 55.36 54.42 1cdl s GLN 135 Cb 0.00 -0.03 -0.01 0.00 1.00 0.00 0.00 33.01 33.97 1cdl s GLN 135 CO 0.00 -0.03 0.19 0.54 -2.12 0.00 0.00 175.29 173.87 1cdl s VAL 136 N -2.13 4.85 0.44 1.09 0.11 -0.24 -4.68 120.40 119.83 1cdl s VAL 136 Ca -0.07 -0.39 -0.04 0.00 -2.93 0.00 0.00 61.98 58.56 1cdl s VAL 136 Cb -0.05 -3.50 0.09 0.00 -1.53 0.00 0.00 36.38 31.39 1cdl s VAL 136 CO -0.03 0.01 0.60 -0.46 -3.33 0.00 0.00 175.10 171.89 1cdl n ASN 137 N 5.03 0.44 -0.11 3.54 2.04 -1.26 0.24 115.26 125.18 1cdl n ASN 137 Ca -0.13 -1.46 -0.07 0.00 -0.44 0.00 0.00 54.58 52.48 1cdl n ASN 137 Cb 0.49 -0.42 0.01 0.00 -2.53 0.00 0.00 39.78 37.32 1cdl n ASN 137 CO 0.00 0.00 0.00 0.22 -0.44 0.00 0.00 177.26 177.04 1cdl h TYR 138 N -0.88 0.34 0.93 -2.53 3.20 -1.99 -1.57 116.97 114.46 1cdl h TYR 138 Ca -0.20 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.64 1cdl h TYR 138 Cb 0.64 -0.10 0.01 0.00 1.54 0.00 0.00 36.73 38.81 1cdl h TYR 138 CO 0.00 0.19 -0.46 0.93 -1.64 0.00 0.00 178.16 177.18 1cdl h GLU 139 N 0.38 -1.22 -0.76 1.82 3.07 -1.95 -1.25 114.58 114.66 1cdl h GLU 139 Ca 0.15 0.08 0.17 0.00 -0.50 0.00 0.00 59.36 59.26 1cdl h GLU 139 Cb 0.05 0.28 -0.13 0.00 -0.84 0.00 0.00 28.75 28.10 1cdl h GLU 139 CO -0.10 -0.81 -0.00 0.93 -1.40 0.00 0.00 179.01 177.63 1cdl h GLU 140 N -1.26 0.09 -0.99 2.33 5.08 -1.85 0.44 114.58 118.42 1cdl h GLU 140 Ca -0.13 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1cdl h GLU 140 Cb 0.97 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.15 1cdl h GLU 140 CO 0.20 0.06 0.65 0.35 -1.00 0.00 0.00 179.01 179.27 1cdl h PHE 141 N 0.10 1.23 -0.10 4.33 3.04 -1.13 -2.36 116.94 122.05 1cdl h PHE 141 Ca 0.42 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.39 1cdl h PHE 141 Cb 0.73 -0.41 -0.00 0.00 2.56 0.00 0.00 35.95 38.82 1cdl h PHE 141 CO -0.43 0.75 0.05 0.28 -2.02 0.00 0.00 178.31 176.94 1cdl h VAL 142 N 1.30 1.09 -0.04 1.41 2.07 0.11 -2.21 116.25 119.97 1cdl h VAL 142 Ca 0.37 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.67 1cdl h VAL 142 Cb -0.09 1.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1cdl h VAL 142 CO -0.10 0.08 0.10 1.56 0.02 0.00 0.00 177.57 179.23 1cdl h GLN 143 N 0.07 0.00 0.00 1.57 1.08 -0.82 -0.39 115.11 116.62 1cdl h GLN 143 Ca 0.04 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 57.01 1cdl h GLN 143 Cb 0.07 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.47 1cdl h GLN 143 CO -0.01 0.00 -1.15 1.98 -0.95 0.00 0.00 178.83 178.71 1cdl h MET 144 N 0.00 0.00 -0.35 1.46 4.05 -0.99 -3.27 114.93 115.84 1cdl h MET 144 Ca 0.02 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.44 1cdl h MET 144 Cb 0.22 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.02 1cdl h MET 144 CO -0.00 0.87 0.00 -1.33 0.23 0.00 0.00 176.91 176.68 1cdl n MET 145 N -3.27 1.96 0.00 0.39 2.81 -0.18 -5.11 117.12 113.71 1cdl n MET 145 Ca -0.04 -1.47 0.00 0.00 -1.81 0.00 0.00 57.70 54.38 1cdl n MET 145 Cb 0.96 -1.37 0.00 0.00 -0.71 0.00 0.00 33.22 32.10 1cdl n MET 145 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73