#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cdn s VAL 5 N 0.00 2.03 0.47 5.87 1.01 -1.26 -5.09 120.40 123.43 3cdn s VAL 5 Ca 0.00 0.03 -0.21 0.00 0.00 0.00 0.00 61.98 61.80 3cdn s VAL 5 Cb 0.00 -3.02 -0.08 0.00 0.00 0.00 0.00 36.38 33.28 3cdn s VAL 5 CO 0.00 0.01 1.07 -2.16 0.00 0.00 0.00 175.10 174.02 3cdn s PRO 6 N -0.71 3.81 0.55 2.72 0.04 -1.26 -4.93 135.00 135.22 3cdn s PRO 6 Ca 0.62 1.50 0.23 0.00 0.04 0.00 0.00 61.00 63.39 3cdn s PRO 6 Cb -0.48 -2.23 1.46 0.00 0.04 0.00 0.00 34.50 33.28 3cdn s PRO 6 CO 0.50 -0.44 2.12 -1.35 0.04 0.00 0.00 177.00 177.86 3cdn h PRO 7 N 1.80 0.00 -0.78 0.56 0.11 -2.03 -1.87 132.00 129.80 3cdn h PRO 7 Ca -0.49 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 3cdn h PRO 7 Cb 1.23 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.30 3cdn h PRO 7 CO 0.60 0.00 0.36 0.93 -0.21 0.00 0.00 178.00 179.68 3cdn h GLU 8 N 0.00 1.12 -0.32 1.05 3.07 -2.03 -2.58 114.58 114.89 3cdn h GLU 8 Ca 0.08 -0.16 0.09 0.00 -0.50 0.00 0.00 59.36 58.87 3cdn h GLU 8 Cb 0.35 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 3cdn h GLU 8 CO -0.00 0.86 0.23 0.28 -1.40 0.00 0.00 179.01 178.99 3cdn h VAL 9 N 1.10 0.83 -0.22 3.13 2.07 -1.72 -2.72 116.25 118.72 3cdn h VAL 9 Ca 0.27 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.64 3cdn h VAL 9 Cb 0.12 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 3cdn h VAL 9 CO -0.03 0.00 -0.47 -0.26 0.02 0.00 0.00 177.57 176.83 3cdn h PHE 10 N 0.00 0.71 -0.21 1.57 0.04 -1.61 -1.87 116.94 115.57 3cdn h PHE 10 Ca 0.15 -0.23 -0.06 0.00 2.80 0.00 0.00 57.97 60.64 3cdn h PHE 10 Cb 0.61 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.61 3cdn h PHE 10 CO 0.00 0.94 -0.09 0.22 -0.60 0.00 0.00 178.31 178.78 3cdn h ASP 11 N 0.47 0.44 0.43 2.17 1.82 -1.62 -2.56 116.42 117.56 3cdn h ASP 11 Ca 0.03 -0.41 -0.00 0.00 -0.39 0.00 0.00 57.03 56.26 3cdn h ASP 11 Cb 0.99 -0.12 -0.00 0.00 0.68 0.00 0.00 39.33 40.88 3cdn h ASP 11 CO 0.09 0.74 -0.01 -0.07 -1.61 0.00 0.00 179.24 178.39 3cdn h LEU 12 N 0.13 0.00 -1.03 2.28 3.38 -1.47 -2.83 115.31 115.77 3cdn h LEU 12 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3cdn h LEU 12 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3cdn h LEU 12 CO 0.03 0.01 -0.44 1.33 0.09 0.00 0.00 178.44 179.46 3cdn n VAL 13 N -3.14 0.00 -0.19 1.22 0.24 -0.71 -4.69 118.33 111.05 3cdn n VAL 13 Ca -0.02 -0.28 -0.05 0.00 -2.04 0.00 0.00 64.34 61.96 3cdn n VAL 13 Cb 0.18 1.26 0.05 0.00 -1.47 0.00 0.00 33.84 33.86 3cdn n VAL 13 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3cdn h ALA 14 N 3.78 0.74 -0.22 2.33 0.00 -1.19 0.19 119.26 124.89 3cdn h ALA 14 Ca 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3cdn h ALA 14 Cb 0.74 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 3cdn h ALA 14 CO 0.00 0.05 -0.25 1.49 0.00 0.00 0.00 179.25 180.54 3cdn h GLU 15 N 0.66 0.55 -0.39 0.00 4.81 -1.84 -0.96 114.58 117.42 3cdn h GLU 15 Ca 0.24 -0.30 -0.07 0.00 -0.13 0.00 0.00 59.36 59.09 3cdn h GLU 15 Cb 0.05 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 3cdn h GLU 15 CO -0.11 0.89 -0.07 -0.44 -0.73 0.00 0.00 179.01 178.55 3cdn h ASP 16 N 0.24 0.63 -0.07 1.04 3.32 -1.75 -1.66 116.42 118.16 3cdn h ASP 16 Ca 0.03 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 56.92 3cdn h ASP 16 Cb 0.81 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.19 3cdn h ASP 16 CO 0.06 0.74 0.04 0.50 -1.72 0.00 0.00 179.24 178.86 3cdn h LYS 17 N 0.60 0.09 -0.22 3.56 3.64 -0.34 -0.78 116.57 123.12 3cdn h LYS 17 Ca 0.11 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 3cdn h LYS 17 Cb 0.48 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 3cdn h LYS 17 CO 0.03 0.11 0.13 0.00 -2.27 0.00 0.00 179.45 177.44 3cdn h ALA 18 N 0.98 0.27 -0.41 5.00 0.00 -0.94 -0.73 119.26 123.43 3cdn h ALA 18 Ca 0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3cdn h ALA 18 Cb 0.04 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3cdn h ALA 18 CO -0.00 -0.27 0.20 -0.09 0.00 0.00 0.00 179.25 179.08 3cdn h ARG 19 N 0.27 0.59 -0.75 0.00 2.43 -1.21 -1.50 114.38 114.20 3cdn h ARG 19 Ca 0.09 -0.09 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 3cdn h ARG 19 Cb -0.00 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.41 3cdn h ARG 19 CO -0.04 0.51 0.29 0.00 -1.51 0.00 0.00 179.97 179.22 3cdn h MET 21 N 1.09 0.93 -0.53 0.00 2.86 -1.01 -2.76 114.93 115.52 3cdn h MET 21 Ca 0.25 -0.22 -0.09 0.00 -2.06 0.00 0.00 59.70 57.58 3cdn h MET 21 Cb 0.23 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 3cdn h MET 21 CO -0.02 0.86 -0.01 1.03 1.06 0.00 0.00 176.91 179.83 3cdn h SER 22 N 0.84 0.93 -0.41 1.22 0.87 -0.64 -1.44 113.55 114.92 3cdn h SER 22 Ca 0.18 -0.31 -0.02 0.00 -1.23 0.00 0.00 61.79 60.41 3cdn h SER 22 Cb 0.35 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.03 3cdn h SER 22 CO 0.00 1.01 0.19 -0.33 -0.53 0.00 0.00 176.83 177.18 3cdn h GLU 23 N 0.82 0.65 -0.01 2.24 5.08 -0.85 -3.29 114.58 119.21 3cdn h GLU 23 Ca 0.15 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3cdn h GLU 23 Cb 0.54 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.67 3cdn h GLU 23 CO 0.03 0.53 -0.19 0.72 -1.00 0.00 0.00 179.01 179.10 3cdn n HIS 24 N -4.37 0.00 -1.48 4.33 8.25 -1.05 -4.99 115.22 115.91 3cdn n HIS 24 Ca 0.03 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.47 3cdn n HIS 24 Cb 0.14 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.25 3cdn n HIS 24 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3cdn n GLY 25 N 0.85 0.43 3.75 -1.41 0.00 -0.61 -4.15 105.19 104.05 3cdn n GLY 25 Ca 0.04 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.74 3cdn n GLY 25 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cdn s THR 26 N -2.09 3.58 0.17 2.61 2.01 -0.82 -4.94 115.64 116.16 3cdn s THR 26 Ca 0.00 1.49 0.05 0.00 0.31 0.00 0.00 61.69 63.54 3cdn s THR 26 Cb 0.00 -3.95 -0.04 0.00 0.01 0.00 0.00 72.50 68.52 3cdn s THR 26 CO 0.00 0.31 0.13 0.42 -0.69 0.00 0.00 174.62 174.79 3cdn s THR 27 N -0.77 4.42 0.44 -0.82 -4.23 -1.26 -4.80 115.64 108.62 3cdn s THR 27 Ca 0.47 -1.12 0.09 0.00 -1.18 0.00 0.00 61.69 59.96 3cdn s THR 27 Cb -0.31 -3.26 0.26 0.00 1.34 0.00 0.00 72.50 70.52 3cdn s THR 27 CO 0.39 -0.12 2.07 -0.61 -0.54 0.00 0.00 174.62 175.82 3cdn h GLN 28 N 2.41 0.38 -0.64 3.99 5.75 -2.00 -2.00 115.11 122.99 3cdn h GLN 28 Ca -0.48 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 57.97 3cdn h GLN 28 Cb 1.20 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 29.64 3cdn h GLN 28 CO 0.63 0.27 0.31 0.00 -2.65 0.00 0.00 178.83 177.38 3cdn h ALA 29 N 1.80 1.33 -0.68 3.38 0.00 -1.99 -0.15 119.26 122.95 3cdn h ALA 29 Ca 0.10 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3cdn h ALA 29 Cb -0.02 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 3cdn h ALA 29 CO -0.02 0.52 0.13 1.96 0.00 0.00 0.00 179.25 181.85 3cdn h GLN 30 N 0.91 1.12 -0.28 0.00 4.20 -1.77 -1.10 115.11 118.18 3cdn h GLN 30 Ca 0.22 -0.29 -0.04 0.00 0.06 0.00 0.00 58.65 58.61 3cdn h GLN 30 Cb 0.09 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 3cdn h GLN 30 CO -0.03 1.01 0.02 0.82 -0.67 0.00 0.00 178.83 179.98 3cdn h ILE 31 N 1.05 1.25 -0.89 2.54 2.04 -1.22 -1.86 117.51 120.41 3cdn h ILE 31 Ca 0.21 -0.87 0.02 0.00 1.00 0.00 0.00 64.86 65.22 3cdn h ILE 31 Cb 0.42 1.26 -0.05 0.00 -0.74 0.00 0.00 36.82 37.71 3cdn h ILE 31 CO 0.01 0.28 0.59 0.44 0.00 0.00 0.00 178.15 179.47 3cdn h ASP 32 N 0.29 0.99 -0.24 1.72 3.32 -0.85 -0.34 116.42 121.32 3cdn h ASP 32 Ca 0.08 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 3cdn h ASP 32 Cb 0.39 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 3cdn h ASP 32 CO 0.01 0.70 0.13 0.44 -1.72 0.00 0.00 179.24 178.80 3cdn h ASP 33 N 1.16 0.29 -0.64 6.45 3.32 -0.84 -0.09 116.42 126.08 3cdn h ASP 33 Ca 0.34 -0.08 0.05 0.00 0.02 0.00 0.00 57.03 57.36 3cdn h ASP 33 Cb -0.05 -0.07 -0.05 0.00 0.22 0.00 0.00 39.33 39.37 3cdn h ASP 33 CO -0.09 0.29 0.37 0.58 -1.72 0.00 0.00 179.24 178.66 3cdn h VAL 34 N 0.28 1.01 0.00 -1.35 2.07 -0.57 0.13 116.25 117.82 3cdn h VAL 34 Ca 0.08 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 3cdn h VAL 34 Cb 0.06 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 30.07 3cdn h VAL 34 CO -0.01 0.13 -0.08 0.44 0.02 0.00 0.00 177.57 178.06 3cdn h ASP 35 N 0.70 0.00 -0.17 0.57 3.32 -0.67 0.43 116.42 120.60 3cdn h ASP 35 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 3cdn h ASP 35 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3cdn h ASP 35 CO -0.15 0.08 0.00 0.29 -1.72 0.00 0.00 179.24 177.74 3cdn n LYS 36 N -3.26 1.49 -0.80 3.56 5.02 -0.08 -4.92 118.16 119.16 3cdn n LYS 36 Ca -0.00 -0.75 0.00 0.00 -2.02 0.00 0.00 58.31 55.54 3cdn n LYS 36 Cb 0.30 -1.24 0.00 0.00 -0.02 0.00 0.00 35.03 34.07 3cdn n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3cdn n GLY 37 N 0.91 0.60 3.41 0.72 0.00 0.14 -5.03 105.19 105.94 3cdn n GLY 37 Ca 0.10 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 3cdn n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3cdn s ASN 38 N -2.04 6.05 -0.10 1.61 0.01 0.37 -4.97 114.94 115.88 3cdn s ASN 38 Ca 0.00 -1.11 0.03 0.00 -0.71 0.00 0.00 52.86 51.07 3cdn s ASN 38 Cb 0.00 -2.14 0.01 0.00 0.41 0.00 0.00 41.25 39.53 3cdn s ASN 38 CO 0.00 -0.52 -0.19 -0.22 -1.51 0.00 0.00 177.10 174.66 3cdn s LEU 39 N 1.64 1.89 0.22 0.60 2.96 -1.26 -2.76 118.68 121.96 3cdn s LEU 39 Ca 0.04 -0.47 0.11 0.00 -0.22 0.00 0.00 54.13 53.59 3cdn s LEU 39 Cb -0.21 -1.19 -0.05 0.00 0.50 0.00 0.00 46.19 45.25 3cdn s LEU 39 CO 0.08 0.08 -0.17 0.54 -1.32 0.00 0.00 176.35 175.56 3cdn s VAL 40 N 0.65 2.69 -1.46 1.68 0.11 -1.26 -5.04 120.40 117.77 3cdn s VAL 40 Ca -0.13 -2.05 -0.08 0.00 -2.93 0.00 0.00 61.98 56.79 3cdn s VAL 40 Cb -0.16 -2.36 -0.02 0.00 -1.53 0.00 0.00 36.38 32.32 3cdn s VAL 40 CO 0.03 -0.23 2.77 -3.20 -3.33 0.00 0.00 175.10 171.15 3cdn n ASN 41 N -0.17 8.41 -4.43 3.54 5.15 -1.26 -4.74 115.26 121.76 3cdn n ASN 41 Ca -0.09 -2.78 -0.36 0.00 -0.60 0.00 0.00 54.58 50.74 3cdn n ASN 41 Cb 0.57 -1.48 -0.13 0.00 -0.53 0.00 0.00 39.78 38.22 3cdn n ASN 41 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3cdn s GLU 42 N 0.88 3.62 0.49 1.20 0.41 -1.26 -5.01 118.70 119.04 3cdn s GLU 42 Ca 0.64 -0.50 0.23 0.00 -0.41 0.00 0.00 54.97 54.93 3cdn s GLU 42 Cb 0.19 -3.22 1.29 0.00 -1.78 0.00 0.00 34.13 30.61 3cdn s GLU 42 CO -0.07 -0.13 1.93 -1.35 -0.49 0.00 0.00 175.26 175.15 3cdn h PRO 43 N 8.00 0.15 0.00 0.39 0.11 -1.95 -0.11 132.00 138.59 3cdn h PRO 43 Ca -0.38 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.71 3cdn h PRO 43 Cb 1.17 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 3cdn h PRO 43 CO 0.59 0.10 -0.03 0.66 -0.21 0.00 0.00 178.00 179.11 3cdn h SER 44 N 0.15 0.00 0.00 -2.05 4.64 -1.93 0.27 113.55 114.63 3cdn h SER 44 Ca 0.35 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 61.29 3cdn h SER 44 Cb 1.15 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.18 3cdn h SER 44 CO -0.05 0.03 -2.44 0.00 -0.87 0.00 0.00 176.83 173.49 3cdn n ILE 45 N -4.39 1.45 -0.17 0.95 0.13 -0.65 -3.88 119.36 112.80 3cdn n ILE 45 Ca -0.03 -0.54 -0.10 0.00 -1.10 0.00 0.00 62.75 60.98 3cdn n ILE 45 Cb 0.12 -1.42 0.00 0.00 -0.84 0.00 0.00 39.64 37.50 3cdn n ILE 45 CO 0.00 0.00 0.00 0.71 2.80 0.00 0.00 176.55 180.06 3cdn h THR 46 N -0.06 1.26 0.00 9.51 1.35 -0.96 -1.75 112.91 122.26 3cdn h THR 46 Ca -0.57 -1.07 -0.07 0.00 -0.55 0.00 0.00 66.41 64.14 3cdn h THR 46 Cb 1.86 0.98 -0.01 0.00 -1.73 0.00 0.00 68.15 69.25 3cdn h THR 46 CO -0.11 0.38 -0.35 0.00 -0.25 0.00 0.00 175.52 175.19 3cdn h TYR 48 N 0.00 0.48 -0.51 0.00 3.20 -1.58 -0.40 116.97 118.17 3cdn h TYR 48 Ca -0.00 -0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.79 3cdn h TYR 48 Cb 0.83 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.94 3cdn h TYR 48 CO 0.00 0.51 0.22 0.52 -1.64 0.00 0.00 178.16 177.77 3cdn h MET 49 N 0.32 0.76 -0.37 1.82 2.86 -1.10 -1.16 114.93 118.05 3cdn h MET 49 Ca 0.09 -0.13 0.02 0.00 -2.06 0.00 0.00 59.70 57.63 3cdn h MET 49 Cb 0.26 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.76 3cdn h MET 49 CO -0.00 0.65 0.21 -0.92 1.06 0.00 0.00 176.91 177.91 3cdn h TYR 50 N 0.68 0.39 -0.33 -0.22 3.20 -1.36 -1.70 116.97 117.63 3cdn h TYR 50 Ca 0.17 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.11 3cdn h TYR 50 Cb 0.17 -0.12 -0.05 0.00 1.54 0.00 0.00 36.73 38.27 3cdn h TYR 50 CO 0.00 0.22 0.02 0.00 -1.64 0.00 0.00 178.16 176.76 3cdn h LEU 52 N 0.11 0.90 -0.81 0.00 5.85 -1.07 -0.88 115.31 119.41 3cdn h LEU 52 Ca 0.16 -0.41 0.00 0.00 0.84 0.00 0.00 57.88 58.47 3cdn h LEU 52 Cb 0.21 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 3cdn h LEU 52 CO -0.25 1.10 0.51 -0.07 -0.34 0.00 0.00 178.44 179.39 3cdn h LEU 53 N 0.69 0.96 -0.58 2.25 3.38 -0.96 -2.65 115.31 118.40 3cdn h LEU 53 Ca 0.09 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 3cdn h LEU 53 Cb 0.77 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 3cdn h LEU 53 CO 0.06 0.73 -0.09 -0.08 0.09 0.00 0.00 178.44 179.15 3cdn h GLU 54 N 1.11 1.04 -0.17 1.13 4.22 -0.72 -0.64 114.58 120.54 3cdn h GLU 54 Ca 0.29 -0.37 0.05 0.00 0.08 0.00 0.00 59.36 59.41 3cdn h GLU 54 Cb -0.07 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 3cdn h GLU 54 CO -0.06 1.07 0.18 0.00 -2.18 0.00 0.00 179.01 178.01 3cdn h ALA 55 N 0.96 1.83 -0.30 2.92 0.00 -0.80 -1.65 119.26 122.22 3cdn h ALA 55 Ca 0.15 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3cdn h ALA 55 Cb 0.66 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3cdn h ALA 55 CO 0.05 -0.26 0.00 1.19 0.00 0.00 0.00 179.25 180.23 3cdn n PHE 56 N -3.89 1.05 -2.97 0.00 3.72 -0.96 -4.97 117.46 109.44 3cdn n PHE 56 Ca 0.01 -0.93 -0.20 0.00 -0.05 0.00 0.00 57.45 56.28 3cdn n PHE 56 Cb 0.30 -0.35 0.01 0.00 -0.94 0.00 0.00 39.48 38.50 3cdn n PHE 56 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3cdn n SER 57 N -0.49 -4.57 0.13 4.37 7.64 -0.62 -4.85 113.62 115.22 3cdn n SER 57 Ca 0.23 -0.19 0.12 0.00 1.01 0.00 0.00 58.87 60.04 3cdn n SER 57 Cb 0.93 -3.78 0.07 0.00 -1.01 0.00 0.00 64.21 60.43 3cdn n SER 57 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3cdn h LEU 58 N -0.77 0.00 -8.33 -3.43 3.38 -1.36 -3.44 115.31 101.37 3cdn h LEU 58 Ca -0.43 -0.03 -0.25 0.00 0.09 0.00 0.00 57.88 57.27 3cdn h LEU 58 Cb 1.30 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.87 3cdn h LEU 58 CO 0.50 0.01 -0.72 0.68 0.09 0.00 0.00 178.44 179.00 3cdn s VAL 59 N -3.30 0.65 0.00 1.22 -7.23 -1.24 -0.26 120.40 110.24 3cdn s VAL 59 Ca 0.02 -1.55 0.00 0.00 -1.81 0.00 0.00 61.98 58.65 3cdn s VAL 59 Cb 0.09 -1.20 0.00 0.00 0.56 0.00 0.00 36.38 35.83 3cdn s VAL 59 CO 0.75 -0.64 0.00 -0.90 -0.31 0.00 0.00 175.10 174.00 3cdn n ASP 60 N 0.65 0.00 0.00 4.85 5.68 -0.80 -4.62 116.55 122.31 3cdn n ASP 60 Ca -0.17 -0.68 0.08 0.00 -0.50 0.00 0.00 54.79 53.52 3cdn n ASP 60 Cb 0.58 0.00 0.37 0.00 -1.14 0.00 0.00 41.12 40.92 3cdn n ASP 60 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3cdn n ASP 61 N -2.04 0.00 -0.23 -1.12 5.75 -1.26 -2.19 116.55 115.45 3cdn n ASP 61 Ca 0.00 0.32 0.08 0.00 -0.01 0.00 0.00 54.79 55.19 3cdn n ASP 61 Cb 0.00 -0.42 0.14 0.00 -1.03 0.00 0.00 41.12 39.82 3cdn n ASP 61 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3cdn n GLU 62 N -1.42 1.25 -2.57 0.11 1.02 -1.26 -4.98 120.64 112.80 3cdn n GLU 62 Ca 0.05 -2.63 -0.21 0.00 -0.02 0.00 0.00 57.16 54.36 3cdn n GLU 62 Cb 0.16 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 3cdn n GLU 62 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3cdn n ALA 63 N -1.25 -0.70 -2.39 0.62 0.00 -0.93 -4.90 120.51 110.96 3cdn n ALA 63 Ca 0.16 0.20 -0.42 0.00 0.00 0.00 0.00 53.44 53.38 3cdn n ALA 63 Cb 0.66 -2.65 -0.04 0.00 0.00 0.00 0.00 19.45 17.43 3cdn n ALA 63 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3cdn s ASN 64 N -2.29 7.34 -0.05 0.00 0.01 -1.26 -4.70 114.94 113.99 3cdn s ASN 64 Ca 0.09 1.85 -0.24 0.00 -0.71 0.00 0.00 52.86 53.86 3cdn s ASN 64 Cb -0.04 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 39.00 3cdn s ASN 64 CO 0.11 -0.23 0.71 -0.69 -1.51 0.00 0.00 177.10 175.49 3cdn s VAL 65 N 0.46 5.00 -0.91 1.60 1.01 -1.26 -1.90 120.40 124.41 3cdn s VAL 65 Ca 0.51 1.47 -0.23 0.00 0.00 0.00 0.00 61.98 63.74 3cdn s VAL 65 Cb -0.25 -4.05 0.07 0.00 0.00 0.00 0.00 36.38 32.15 3cdn s VAL 65 CO 0.30 0.27 1.29 -0.62 0.00 0.00 0.00 175.10 176.34 3cdn s ASP 66 N 0.66 6.44 0.30 3.32 -1.08 0.64 -4.88 116.67 122.07 3cdn s ASP 66 Ca 0.38 -1.38 0.01 0.00 -0.52 0.00 0.00 52.55 51.04 3cdn s ASP 66 Cb -0.18 -2.51 0.47 0.00 -1.46 0.00 0.00 42.92 39.24 3cdn s ASP 66 CO 0.19 -1.44 1.81 -0.08 0.52 0.00 0.00 175.17 176.17 3cdn h GLU 67 N 9.57 0.64 0.06 4.34 4.81 -1.95 -1.38 114.58 130.67 3cdn h GLU 67 Ca 0.06 -0.16 -0.00 0.00 -0.13 0.00 0.00 59.36 59.13 3cdn h GLU 67 Cb 1.03 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.32 3cdn h GLU 67 CO 1.30 0.67 -0.03 -0.44 -0.73 0.00 0.00 179.01 179.78 3cdn h ASP 68 N 0.61 -0.06 -0.81 1.04 3.32 -1.98 1.00 116.42 119.53 3cdn h ASP 68 Ca 0.12 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 3cdn h ASP 68 Cb 0.40 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.93 3cdn h ASP 68 CO 0.02 0.07 0.50 0.40 -1.72 0.00 0.00 179.24 178.50 3cdn h ILE 69 N -0.19 1.22 -0.37 0.35 2.04 -1.84 0.55 117.51 119.27 3cdn h ILE 69 Ca -0.01 -0.47 -0.02 0.00 1.00 0.00 0.00 64.86 65.37 3cdn h ILE 69 Cb 0.17 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.31 3cdn h ILE 69 CO 0.01 0.23 0.16 -0.03 0.00 0.00 0.00 178.15 178.52 3cdn h MET 70 N 1.10 0.54 -0.17 2.37 4.05 -1.04 -2.34 114.93 119.44 3cdn h MET 70 Ca 0.29 -0.09 0.03 0.00 -0.28 0.00 0.00 59.70 59.65 3cdn h MET 70 Cb -0.06 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 30.62 3cdn h MET 70 CO -0.06 0.51 -0.01 -0.07 0.23 0.00 0.00 176.91 177.51 3cdn h LEU 71 N 0.45 -0.09 -2.51 3.39 3.38 -0.41 -2.58 115.31 116.95 3cdn h LEU 71 Ca 0.12 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.14 3cdn h LEU 71 Cb 0.15 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 3cdn h LEU 71 CO -0.01 -0.02 0.15 1.23 0.09 0.00 0.00 178.44 179.88 3cdn h GLY 72 N 0.04 0.00 1.26 0.83 0.00 -0.46 -1.70 103.07 103.03 3cdn h GLY 72 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 3cdn h GLY 72 CO -0.15 0.00 -0.58 1.41 0.00 0.00 0.00 176.54 177.22 3cdn h LEU 73 N 0.00 0.00-10.12 3.11 3.38 -1.01 -3.48 115.31 107.20 3cdn h LEU 73 Ca 0.01 -0.16 -0.51 0.00 0.09 0.00 0.00 57.88 57.31 3cdn h LEU 73 Cb 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3cdn h LEU 73 CO -0.00 0.08 -0.20 -0.76 0.09 0.00 0.00 178.44 177.66 3cdn s LEU 74 N -4.45 4.09 0.61 1.67 1.43 -0.64 -5.06 118.68 116.33 3cdn s LEU 74 Ca 0.06 0.59 -0.18 0.00 -1.03 0.00 0.00 54.13 53.57 3cdn s LEU 74 Cb 0.13 -3.40 -0.02 0.00 0.03 0.00 0.00 46.19 42.92 3cdn s LEU 74 CO 0.71 -0.18 1.17 -2.16 0.23 0.00 0.00 176.35 176.12 3cdn s PRO 75 N -3.65 2.93 0.28 1.29 0.04 -1.26 -4.86 135.00 129.77 3cdn s PRO 75 Ca 0.42 1.67 0.02 0.00 0.04 0.00 0.00 61.00 63.14 3cdn s PRO 75 Cb -0.11 -1.94 0.62 0.00 0.04 0.00 0.00 34.50 33.12 3cdn s PRO 75 CO 0.31 -1.20 1.77 0.22 0.04 0.00 0.00 177.00 178.13 3cdn h ASP 76 N 0.63 0.63 0.95 6.66 3.58 -1.97 -0.40 116.42 126.51 3cdn h ASP 76 Ca -0.49 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.06 3cdn h ASP 76 Cb 1.28 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.32 3cdn h ASP 76 CO 0.55 0.24 0.00 0.06 -2.88 0.00 0.00 179.24 177.20 3cdn h GLN 77 N 0.67 0.00 0.00 0.28 3.07 -2.03 -2.84 115.11 114.27 3cdn h GLN 77 Ca 0.51 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.25 3cdn h GLN 77 Cb 0.77 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.33 3cdn h GLN 77 CO -0.38 0.00 -1.24 1.28 0.09 0.00 0.00 178.83 178.59 3cdn n LEU 78 N -2.37 0.54 -0.23 0.06 4.77 -0.17 -4.65 117.00 114.95 3cdn n LEU 78 Ca 0.03 -0.01 -0.08 0.00 -0.03 0.00 0.00 56.01 55.91 3cdn n LEU 78 Cb 0.29 -0.06 0.04 0.00 -2.33 0.00 0.00 43.42 41.35 3cdn n LEU 78 CO 0.23 0.02 0.87 1.56 -1.33 0.00 0.00 177.39 178.74 3cdn h GLN 79 N 0.00 1.11 -0.10 3.23 4.20 -1.34 0.19 115.11 122.41 3cdn h GLN 79 Ca 0.00 -0.32 0.01 0.00 0.06 0.00 0.00 58.65 58.40 3cdn h GLN 79 Cb 0.80 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.46 3cdn h GLN 79 CO 0.00 1.04 0.04 0.93 -0.67 0.00 0.00 178.83 180.17 3cdn h GLU 80 N 1.03 0.10 -0.69 1.46 5.08 -1.83 0.13 114.58 119.86 3cdn h GLU 80 Ca 0.19 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.48 3cdn h GLU 80 Cb 0.49 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 3cdn h GLU 80 CO 0.02 0.06 0.17 -0.09 -1.00 0.00 0.00 179.01 178.17 3cdn h ARG 81 N 0.10 1.10 -0.17 2.33 2.43 -1.73 -1.18 114.38 117.26 3cdn h ARG 81 Ca 0.04 -0.26 -0.02 0.00 -0.81 0.00 0.00 59.98 58.93 3cdn h ARG 81 Cb 0.01 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 3cdn h ARG 81 CO -0.03 0.97 0.01 0.00 -1.51 0.00 0.00 179.97 179.41 3cdn h ALA 82 N 1.13 0.22 -0.71 2.80 0.00 -0.44 -0.26 119.26 122.00 3cdn h ALA 82 Ca 0.22 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 55.03 3cdn h ALA 82 Cb 0.36 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.02 3cdn h ALA 82 CO 0.00 -0.09 0.36 1.96 0.00 0.00 0.00 179.25 181.48 3cdn h GLN 83 N 0.05 0.59 0.21 0.00 4.20 -0.49 -0.16 115.11 119.52 3cdn h GLN 83 Ca 0.05 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 3cdn h GLN 83 Cb 0.35 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.00 3cdn h GLN 83 CO 0.01 0.39 -0.10 1.03 -0.67 0.00 0.00 178.83 179.49 3cdn h SER 84 N 0.61 -0.24 -0.53 1.46 0.87 -1.01 -1.11 113.55 113.60 3cdn h SER 84 Ca 0.34 -0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.87 3cdn h SER 84 Cb 0.35 0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.34 3cdn h SER 84 CO -0.26 -0.13 0.32 1.62 -0.53 0.00 0.00 176.83 177.85 3cdn h VAL 85 N -0.33 1.16 0.00 2.23 3.04 -0.58 -2.35 116.25 119.42 3cdn h VAL 85 Ca -0.03 -0.37 -0.10 0.00 -1.01 0.00 0.00 66.70 65.20 3cdn h VAL 85 Cb 0.25 0.40 -0.01 0.00 -2.01 0.00 0.00 31.29 29.92 3cdn h VAL 85 CO 0.05 0.17 -0.45 0.24 -1.01 0.00 0.00 177.57 176.56 3cdn h MET 86 N 0.75 0.00 -0.68 4.17 2.07 -0.77 0.19 114.93 120.65 3cdn h MET 86 Ca 0.20 0.00 -0.07 0.00 -2.07 0.00 0.00 59.70 57.75 3cdn h MET 86 Cb -0.01 0.00 -0.03 0.00 -1.87 0.00 0.00 31.60 29.69 3cdn h MET 86 CO -0.04 0.45 0.15 0.78 1.07 0.00 0.00 176.91 179.33 3cdn h GLY 87 N 2.77 1.19 0.66 8.32 0.00 -0.67 -0.52 103.07 114.81 3cdn h GLY 87 Ca -0.00 -0.76 -0.05 0.00 0.00 0.00 0.00 47.33 46.52 3cdn h GLY 87 CO 0.06 0.71 -0.12 1.70 0.00 0.00 0.00 176.54 178.88 3cdn h LYS 88 N 1.03 0.25 -0.02 4.80 3.64 -1.25 -3.38 116.57 121.64 3cdn h LYS 88 Ca 0.21 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3cdn h LYS 88 Cb 0.39 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 3cdn h LYS 88 CO 0.01 0.70 -0.28 0.00 -2.27 0.00 0.00 179.45 177.60 3cdn s LEU 90 N -2.36 3.17 0.66 0.00 1.43 -0.21 -4.29 118.68 117.08 3cdn s LEU 90 Ca 0.24 -0.41 -0.14 0.00 -1.03 0.00 0.00 54.13 52.79 3cdn s LEU 90 Cb 0.19 -1.88 -0.00 0.00 0.03 0.00 0.00 46.19 44.53 3cdn s LEU 90 CO 0.49 0.13 1.08 -2.16 0.23 0.00 0.00 176.35 176.11 3cdn s PRO 91 N -2.65 2.95 0.55 1.29 0.04 -1.26 -4.81 135.00 131.11 3cdn s PRO 91 Ca 0.25 1.20 -0.19 0.00 0.04 0.00 0.00 61.00 62.31 3cdn s PRO 91 Cb -0.10 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.41 3cdn s PRO 91 CO 0.16 -1.11 1.10 0.95 0.04 0.00 0.00 177.00 178.14 3cdn s THR 92 N -2.60 3.37 0.01 1.26 -4.23 -1.26 -5.06 115.64 107.13 3cdn s THR 92 Ca 0.63 0.80 -0.09 0.00 -1.18 0.00 0.00 61.69 61.85 3cdn s THR 92 Cb -0.17 -3.30 0.00 0.00 1.34 0.00 0.00 72.50 70.37 3cdn s THR 92 CO 0.44 -0.24 0.18 -0.94 -0.54 0.00 0.00 174.62 173.52 3cdn s SER 93 N -2.05 0.00 0.00 3.99 1.04 -1.26 -5.00 113.70 110.42 3cdn s SER 93 Ca 0.70 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.90 3cdn s SER 93 Cb -0.21 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.16 3cdn s SER 93 CO 0.29 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.67 3cdn n GLY 94 N 1.15 -0.78 0.16 7.32 0.00 -1.26 -4.25 105.19 107.52 3cdn n GLY 94 Ca -0.21 -1.20 0.13 0.00 0.00 0.00 0.00 46.02 44.74 3cdn n GLY 94 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3cdn h SER 95 N 0.00 0.00 -5.64 1.61 4.64 -1.99 -3.45 113.55 108.73 3cdn h SER 95 Ca 0.00 0.00 0.26 0.00 -0.47 0.00 0.00 61.79 61.58 3cdn h SER 95 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 3cdn h SER 95 CO 0.00 0.00 0.76 1.51 -0.87 0.00 0.00 176.83 178.23 3cdn s ASP 96 N -5.18 0.01 0.22 4.97 1.47 -1.26 -5.01 116.67 111.90 3cdn s ASP 96 Ca 0.08 -0.43 -0.01 0.00 1.18 0.00 0.00 52.55 53.37 3cdn s ASP 96 Cb 0.09 0.31 0.22 0.00 -0.34 0.00 0.00 42.92 43.21 3cdn s ASP 96 CO 0.60 -0.62 1.60 0.78 0.68 0.00 0.00 175.17 178.21 3cdn h ASN 97 N 2.00 0.60 -0.20 2.11 2.35 -1.92 0.96 115.58 121.49 3cdn h ASN 97 Ca -0.25 -0.26 -0.05 0.00 -0.55 0.00 0.00 56.30 55.20 3cdn h ASN 97 Cb 1.20 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 39.40 3cdn h ASN 97 CO 0.34 0.93 -0.05 0.00 -1.65 0.00 0.00 177.43 176.99 3cdn h ASN 99 N 0.11 0.34 -0.77 0.00 -1.24 -1.75 -1.11 115.58 111.17 3cdn h ASN 99 Ca 0.05 -0.13 0.04 0.00 0.71 0.00 0.00 56.30 56.97 3cdn h ASN 99 Cb 0.50 -0.09 -0.05 0.00 0.73 0.00 0.00 38.32 39.41 3cdn h ASN 99 CO 0.02 0.66 0.48 0.11 -1.29 0.00 0.00 177.43 177.42 3cdn h LYS 100 N 0.28 0.90 0.04 6.67 1.57 -0.85 -0.74 116.57 124.45 3cdn h LYS 100 Ca 0.03 -0.05 -0.23 0.00 -1.87 0.00 0.00 60.65 58.52 3cdn h LYS 100 Cb 0.75 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.85 3cdn h LYS 100 CO 0.06 0.60 -1.02 0.82 -0.57 0.00 0.00 179.45 179.34 3cdn h ILE 101 N 0.93 1.45 -0.42 1.86 1.08 -1.18 -1.56 117.51 119.66 3cdn h ILE 101 Ca 0.31 -2.66 0.06 0.00 -0.39 0.00 0.00 64.86 62.18 3cdn h ILE 101 Cb 0.05 2.58 -0.05 0.00 -3.07 0.00 0.00 36.82 36.33 3cdn h ILE 101 CO -0.12 0.78 0.13 0.22 -0.69 0.00 0.00 178.15 178.47 3cdn h TYR 102 N 0.16 0.23 -0.69 1.37 3.20 -0.98 0.24 116.97 120.50 3cdn h TYR 102 Ca -0.09 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.77 3cdn h TYR 102 Cb 1.68 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 39.88 3cdn h TYR 102 CO 0.06 0.07 0.30 -0.91 -1.64 0.00 0.00 178.16 176.04 3cdn h ASN 103 N 0.29 0.92 -0.07 -2.11 -0.26 -0.96 -0.39 115.58 113.00 3cdn h ASN 103 Ca 0.20 -0.12 -0.01 0.00 -0.56 0.00 0.00 56.30 55.81 3cdn h ASN 103 Cb 0.20 -0.24 -0.00 0.00 -1.06 0.00 0.00 38.32 37.22 3cdn h ASN 103 CO -0.22 0.81 0.02 0.25 -1.06 0.00 0.00 177.43 177.23 3cdn h LEU 104 N 1.00 0.10 -0.72 1.61 5.85 -1.00 -1.28 115.31 120.86 3cdn h LEU 104 Ca 0.24 -0.24 0.05 0.00 0.84 0.00 0.00 57.88 58.77 3cdn h LEU 104 Cb 0.16 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.11 3cdn h LEU 104 CO -0.02 0.31 0.43 0.00 -0.34 0.00 0.00 178.44 178.82 3cdn h ALA 105 N 0.79 0.97 -0.01 1.25 0.00 -0.23 -0.28 119.26 121.75 3cdn h ALA 105 Ca 0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3cdn h ALA 105 Cb 0.25 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3cdn h ALA 105 CO 0.00 0.15 0.01 0.87 0.00 0.00 0.00 179.25 180.28 3cdn h LYS 106 N 0.80 0.01 -0.53 0.00 1.57 -0.94 -0.27 116.57 117.22 3cdn h LYS 106 Ca 0.31 -0.00 0.05 0.00 -1.87 0.00 0.00 60.65 59.15 3cdn h LYS 106 Cb 0.14 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.40 3cdn h LYS 106 CO -0.16 0.04 0.26 0.00 -0.57 0.00 0.00 179.45 179.02 3cdn h VAL 108 N 0.50 1.27 -0.88 0.00 2.07 -0.88 -2.03 116.25 116.29 3cdn h VAL 108 Ca 0.24 -0.88 0.08 0.00 0.82 0.00 0.00 66.70 66.96 3cdn h VAL 108 Cb 0.18 1.58 -0.07 0.00 -1.52 0.00 0.00 31.29 31.46 3cdn h VAL 108 CO -0.18 0.26 0.54 1.56 0.02 0.00 0.00 177.57 179.76 3cdn h GLN 109 N -0.03 0.91 -0.08 1.57 4.20 -0.77 0.77 115.11 121.68 3cdn h GLN 109 Ca 0.04 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.60 3cdn h GLN 109 Cb 0.40 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 3cdn h GLN 109 CO 0.01 0.60 -0.37 0.93 -0.67 0.00 0.00 178.83 179.34 3cdn h GLU 110 N 0.94 0.16 0.06 1.46 5.08 -0.63 -3.31 114.58 118.34 3cdn h GLU 110 Ca 0.40 -0.07 -0.38 0.00 -1.00 0.00 0.00 59.36 58.32 3cdn h GLU 110 Cb 0.27 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 3cdn h GLU 110 CO -0.21 0.52 -2.26 0.43 -1.00 0.00 0.00 179.01 176.49 3cdn n SER 111 N -4.07 2.04 -3.24 1.42 7.64 -0.77 -4.88 113.62 111.75 3cdn n SER 111 Ca -0.01 0.02 -0.06 0.00 1.01 0.00 0.00 58.87 59.83 3cdn n SER 111 Cb 0.43 -0.61 -0.03 0.00 -1.01 0.00 0.00 64.21 62.99 3cdn n SER 111 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3cdn s ALA 112 N -2.54 -1.61 0.09 -0.43 0.00 0.26 -5.06 121.76 112.47 3cdn s ALA 112 Ca -0.29 -0.29 -0.17 0.00 0.00 0.00 0.00 51.96 51.21 3cdn s ALA 112 Cb 0.08 -2.48 -0.04 0.00 0.00 0.00 0.00 23.12 20.68 3cdn s ALA 112 CO 0.68 -2.19 1.15 -2.30 0.00 0.00 0.00 175.76 173.10 3cdn n PRO 113 N 4.25 -0.24 0.00 0.00 -0.02 -1.24 -2.55 135.00 135.20 3cdn n PRO 113 Ca 0.12 1.14 0.06 0.00 -2.02 0.00 0.00 63.50 62.80 3cdn n PRO 113 Cb 0.53 -1.68 0.34 0.00 -0.02 0.00 0.00 33.50 32.66 3cdn n PRO 113 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3cdn n ASP 114 N -4.25 0.00 -0.03 2.55 8.00 -1.26 -2.48 116.55 119.08 3cdn n ASP 114 Ca 0.01 -0.05 -0.15 0.00 0.71 0.00 0.00 54.79 55.32 3cdn n ASP 114 Cb 0.14 -0.20 -0.12 0.00 -0.02 0.00 0.00 41.12 40.92 3cdn n ASP 114 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3cdn h VAL 115 N 0.00 1.60 -0.90 2.53 2.07 -1.85 -3.40 116.25 116.30 3cdn h VAL 115 Ca 0.00 -2.00 -0.69 0.00 0.82 0.00 0.00 66.70 64.83 3cdn h VAL 115 Cb 0.08 2.91 -0.08 0.00 -1.52 0.00 0.00 31.29 32.67 3cdn h VAL 115 CO 0.00 0.54 2.20 1.87 0.02 0.00 0.00 177.57 182.20 3cdn n TRP 116 N -4.56 4.63 -4.05 1.57 -0.00 -1.03 -4.93 117.44 109.06 3cdn n TRP 116 Ca -0.10 -2.88 -0.36 0.00 -0.00 0.00 0.00 57.50 54.17 3cdn n TRP 116 Cb 0.48 -2.61 -0.07 0.00 -0.00 0.00 0.00 31.31 29.12 3cdn n TRP 116 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 177.69 177.81 3cdn s PHE 117 N 4.01 3.43 -0.16 5.87 5.36 -1.26 -4.83 117.98 130.41 3cdn s PHE 117 Ca 0.53 0.38 0.01 0.00 -0.96 0.00 0.00 56.93 56.89 3cdn s PHE 117 Cb 0.04 -1.86 0.02 0.00 -0.34 0.00 0.00 43.02 40.88 3cdn s PHE 117 CO 0.07 0.63 -0.18 0.08 -1.46 0.00 0.00 175.22 174.36 3cdn s VAL 118 N -1.04 1.88 -2.00 3.12 1.01 -1.26 -5.10 120.40 117.02 3cdn s VAL 118 Ca 0.17 -0.84 0.18 0.00 0.00 0.00 0.00 61.98 61.48 3cdn s VAL 118 Cb -0.12 -1.71 0.50 0.00 0.00 0.00 0.00 36.38 35.05 3cdn s VAL 118 CO 0.06 0.51 1.45 -0.38 0.00 0.00 0.00 175.10 176.74