#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dc3 s GLU 18 N 0.00 4.26 0.14 5.31 2.12 -1.26 -4.83 118.70 124.43 2dc3 s GLU 18 Ca 0.00 0.81 -0.30 0.00 0.36 0.00 0.00 54.97 55.84 2dc3 s GLU 18 Cb 0.00 -3.21 -0.07 0.00 0.26 0.00 0.00 34.13 31.11 2dc3 s GLU 18 CO 0.00 0.61 1.16 -0.51 -0.54 0.00 0.00 175.26 175.98 2dc3 s LEU 19 N -1.21 4.43 0.94 2.70 1.02 -1.26 -5.05 118.68 120.25 2dc3 s LEU 19 Ca 0.31 2.10 -0.12 0.00 0.02 0.00 0.00 54.13 56.44 2dc3 s LEU 19 Cb -0.20 -3.60 0.16 0.00 0.02 0.00 0.00 46.19 42.57 2dc3 s LEU 19 CO 0.21 -0.35 1.11 -0.94 0.02 0.00 0.00 176.35 176.39 2dc3 s SER 20 N 0.38 3.16 0.18 2.29 1.04 -1.26 -4.78 113.70 114.71 2dc3 s SER 20 Ca 0.54 1.15 -0.13 0.00 0.48 0.00 0.00 55.95 57.99 2dc3 s SER 20 Cb -0.30 -1.79 0.14 0.00 0.10 0.00 0.00 66.02 64.16 2dc3 s SER 20 CO 0.33 -2.79 1.79 -0.08 0.98 0.00 0.00 173.24 173.47 2dc3 h GLU 21 N -1.66 0.49 -0.86 4.02 4.81 -1.99 0.10 114.58 119.50 2dc3 h GLU 21 Ca -0.52 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 2dc3 h GLU 21 Cb 1.32 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 30.55 2dc3 h GLU 21 CO 0.59 0.33 0.54 0.00 -0.73 0.00 0.00 179.01 179.73 2dc3 h ALA 22 N 1.28 1.09 -0.46 2.92 0.00 -1.99 -0.04 119.26 122.05 2dc3 h ALA 22 Ca 0.23 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2dc3 h ALA 22 Cb 0.13 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2dc3 h ALA 22 CO -0.16 0.53 0.17 0.93 0.00 0.00 0.00 179.25 180.73 2dc3 h GLU 23 N 1.17 0.69 -0.46 0.00 5.08 -1.80 -1.40 114.58 117.86 2dc3 h GLU 23 Ca 0.31 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2dc3 h GLU 23 Cb -0.08 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 2dc3 h GLU 23 CO -0.06 0.64 0.29 -0.09 -1.00 0.00 0.00 179.01 178.79 2dc3 h ARG 24 N 0.60 0.61 -0.13 2.33 2.43 -0.59 -1.53 114.38 118.11 2dc3 h ARG 24 Ca 0.15 -0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 59.16 2dc3 h ARG 24 Cb 0.22 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 2dc3 h ARG 24 CO -0.01 0.43 -0.43 0.87 -1.51 0.00 0.00 179.97 179.32 2dc3 h LYS 25 N 0.62 0.30 -0.07 0.20 1.57 -0.83 0.63 116.57 118.99 2dc3 h LYS 25 Ca 0.17 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2dc3 h LYS 25 Cb -0.04 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 2dc3 h LYS 25 CO -0.03 0.68 0.02 0.00 -0.57 0.00 0.00 179.45 179.55 2dc3 h ALA 26 N 1.31 0.10 -0.35 3.86 0.00 -0.99 -1.43 119.26 121.76 2dc3 h ALA 26 Ca 0.02 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.83 2dc3 h ALA 26 Cb 0.86 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2dc3 h ALA 26 CO 0.07 -0.30 0.21 0.28 0.00 0.00 0.00 179.25 179.51 2dc3 h VAL 27 N -0.07 1.05 -0.72 0.00 2.07 -1.10 -1.85 116.25 115.64 2dc3 h VAL 27 Ca 0.02 -0.15 0.04 0.00 0.82 0.00 0.00 66.70 67.43 2dc3 h VAL 27 Cb 0.21 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 30.51 2dc3 h VAL 27 CO -0.00 0.08 0.44 1.56 0.02 0.00 0.00 177.57 179.67 2dc3 h GLN 28 N 0.43 0.82 -0.43 1.57 4.20 -0.77 0.22 115.11 121.15 2dc3 h GLN 28 Ca 0.14 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.71 2dc3 h GLN 28 Cb -0.01 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.57 2dc3 h GLN 28 CO -0.06 0.55 -0.09 0.00 -0.67 0.00 0.00 178.83 178.56 2dc3 h ALA 29 N 1.32 0.60 -0.09 3.87 0.00 -1.09 -1.39 119.26 122.46 2dc3 h ALA 29 Ca 0.30 -0.32 -0.24 0.00 0.00 0.00 0.00 54.91 54.65 2dc3 h ALA 29 Cb 0.06 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.71 2dc3 h ALA 29 CO -0.13 0.46 -0.88 0.52 0.00 0.00 0.00 179.25 179.23 2dc3 h MET 30 N 0.65 0.75 -0.60 0.00 2.86 -1.17 -2.97 114.93 114.45 2dc3 h MET 30 Ca 0.11 -0.68 0.05 0.00 -2.06 0.00 0.00 59.70 57.12 2dc3 h MET 30 Cb 0.61 0.16 -0.05 0.00 0.06 0.00 0.00 31.60 32.39 2dc3 h MET 30 CO 0.04 1.27 0.33 2.35 1.06 0.00 0.00 176.91 181.96 2dc3 h TRP 31 N 0.48 0.61 -0.62 -0.22 2.91 -0.58 -2.20 115.95 116.33 2dc3 h TRP 31 Ca -0.08 0.02 0.07 0.00 1.13 0.00 0.00 58.89 60.04 2dc3 h TRP 31 Cb 1.51 -0.19 -0.04 0.00 -0.51 0.00 0.00 29.16 29.94 2dc3 h TRP 31 CO 0.09 0.31 0.41 0.00 -1.03 0.00 0.00 178.44 178.22 2dc3 h ALA 32 N 1.31 1.85 -0.25 2.65 0.00 -1.11 0.10 119.26 123.81 2dc3 h ALA 32 Ca 0.26 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 2dc3 h ALA 32 Cb 0.13 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2dc3 h ALA 32 CO -0.16 0.04 -0.18 0.00 0.00 0.00 0.00 179.25 178.95 2dc3 h ARG 33 N 0.56 0.44 -0.13 0.00 2.47 -1.26 -2.06 114.38 114.41 2dc3 h ARG 33 Ca 0.28 -0.14 -0.13 0.00 -1.26 0.00 0.00 59.98 58.72 2dc3 h ARG 33 Cb 0.35 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.64 2dc3 h ARG 33 CO -0.08 0.61 -0.45 -0.07 0.56 0.00 0.00 179.97 180.54 2dc3 h LEU 34 N 0.40 0.61 -1.88 3.04 3.38 -0.76 -3.22 115.31 116.88 2dc3 h LEU 34 Ca 0.07 -0.61 -0.03 0.00 0.09 0.00 0.00 57.88 57.40 2dc3 h LEU 34 Cb 0.55 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 2dc3 h LEU 34 CO 0.04 1.12 -0.12 0.22 0.09 0.00 0.00 178.44 179.78 2dc3 h TYR 35 N 0.14 0.00 0.00 1.13 3.20 -0.71 -0.13 116.97 120.60 2dc3 h TYR 35 Ca -0.02 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.85 2dc3 h TYR 35 Cb 1.08 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.35 2dc3 h TYR 35 CO 0.11 0.12 0.00 0.00 -1.64 0.00 0.00 178.16 176.75 2dc3 h ALA 36 N 1.88 1.00 -1.62 1.82 0.00 -1.38 -1.32 119.26 119.64 2dc3 h ALA 36 Ca -0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 2dc3 h ALA 36 Cb 0.35 0.00 -0.42 0.00 0.00 0.00 0.00 17.79 17.72 2dc3 h ALA 36 CO 0.02 0.00 -0.80 0.09 0.00 0.00 0.00 179.25 178.56 2dc3 n ASN 37 N -2.61 4.04 -0.18 0.00 4.13 -0.07 -4.97 115.26 115.60 2dc3 n ASN 37 Ca -0.00 -3.54 -0.01 0.00 1.68 0.00 0.00 54.58 52.71 2dc3 n ASN 37 Cb 0.15 -0.50 0.09 0.00 -1.54 0.00 0.00 39.78 37.98 2dc3 n ASN 37 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2dc3 h GLU 39 N 0.25 0.49 -1.00 0.00 4.81 -1.88 -1.31 114.58 115.94 2dc3 h GLU 39 Ca 0.29 -0.48 0.03 0.00 -0.13 0.00 0.00 59.36 59.07 2dc3 h GLU 39 Cb 0.41 0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.86 2dc3 h GLU 39 CO -0.37 1.12 0.66 -0.44 -0.73 0.00 0.00 179.01 179.24 2dc3 h ASP 40 N 0.05 1.11 -0.05 1.04 3.32 -1.84 0.14 116.42 120.18 2dc3 h ASP 40 Ca -0.07 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 56.92 2dc3 h ASP 40 Cb 1.30 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.59 2dc3 h ASP 40 CO 0.12 0.78 -0.14 0.58 -1.72 0.00 0.00 179.24 178.87 2dc3 h VAL 41 N 1.30 1.44 -0.91 -1.35 2.07 -1.28 -1.74 116.25 115.78 2dc3 h VAL 41 Ca 0.38 -1.52 -0.01 0.00 0.82 0.00 0.00 66.70 66.38 2dc3 h VAL 41 Cb -0.06 2.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.98 2dc3 h VAL 41 CO -0.11 0.42 0.55 1.23 0.02 0.00 0.00 177.57 179.68 2dc3 h GLY 42 N -0.35 1.33 1.02 2.17 0.00 -0.94 -0.76 103.07 105.54 2dc3 h GLY 42 Ca -0.00 -0.55 -0.08 0.00 0.00 0.00 0.00 47.33 46.69 2dc3 h GLY 42 CO 0.03 0.54 -0.01 -2.08 0.00 0.00 0.00 176.54 175.02 2dc3 h VAL 43 N 1.26 1.26 -0.86 4.60 2.07 -0.76 -1.18 116.25 122.64 2dc3 h VAL 43 Ca 0.33 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.76 2dc3 h VAL 43 Cb -0.05 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 2dc3 h VAL 43 CO -0.06 0.38 0.55 0.00 0.02 0.00 0.00 177.57 178.46 2dc3 h ALA 44 N 0.93 1.09 0.29 1.67 0.00 -0.91 0.55 119.26 122.88 2dc3 h ALA 44 Ca 0.14 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2dc3 h ALA 44 Cb 0.53 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2dc3 h ALA 44 CO 0.03 0.52 -0.14 0.82 0.00 0.00 0.00 179.25 180.48 2dc3 h ILE 45 N 1.17 0.74 -0.39 0.00 2.04 -0.89 -2.05 117.51 118.13 2dc3 h ILE 45 Ca 0.31 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.93 2dc3 h ILE 45 Cb -0.10 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 2dc3 h ILE 45 CO -0.06 0.05 0.12 -0.07 0.00 0.00 0.00 178.15 178.18 2dc3 h LEU 46 N -0.50 0.57 -0.49 1.44 3.38 -0.89 -1.24 115.31 117.58 2dc3 h LEU 46 Ca -0.04 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 57.76 2dc3 h LEU 46 Cb 0.37 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 2dc3 h LEU 46 CO 0.07 0.63 0.25 0.58 0.09 0.00 0.00 178.44 180.06 2dc3 h VAL 47 N 0.49 0.97 -0.82 1.22 2.07 -0.92 0.34 116.25 119.60 2dc3 h VAL 47 Ca 0.13 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 67.48 2dc3 h VAL 47 Cb 0.26 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 2dc3 h VAL 47 CO -0.00 0.09 0.54 -0.09 0.02 0.00 0.00 177.57 178.13 2dc3 h ARG 48 N 0.50 1.09 0.08 1.57 2.43 -1.14 0.17 114.38 119.08 2dc3 h ARG 48 Ca 0.21 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 2dc3 h ARG 48 Cb 0.11 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 2dc3 h ARG 48 CO -0.14 0.72 -0.04 0.35 -1.51 0.00 0.00 179.97 179.36 2dc3 h PHE 49 N 1.12 -0.10 -0.24 2.20 3.57 -0.81 -1.57 116.94 121.11 2dc3 h PHE 49 Ca 0.30 -0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.67 2dc3 h PHE 49 Cb -0.12 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 2dc3 h PHE 49 CO -0.01 0.04 -0.39 0.74 -2.23 0.00 0.00 178.31 176.46 2dc3 h PHE 50 N -0.21 0.66 -0.51 0.41 0.04 -0.69 0.80 116.94 117.44 2dc3 h PHE 50 Ca -0.01 -0.19 -0.04 0.00 2.80 0.00 0.00 57.97 60.53 2dc3 h PHE 50 Cb 0.18 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.16 2dc3 h PHE 50 CO -0.04 0.86 0.15 0.28 -0.60 0.00 0.00 178.31 178.97 2dc3 h VAL 51 N 0.47 1.23 0.00 -0.55 2.07 -0.88 -2.47 116.25 116.13 2dc3 h VAL 51 Ca 0.04 -0.79 -0.15 0.00 0.82 0.00 0.00 66.70 66.62 2dc3 h VAL 51 Cb 0.88 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 2dc3 h VAL 51 CO 0.08 0.29 -0.69 0.78 0.02 0.00 0.00 177.57 178.04 2dc3 h ASN 52 N 0.70 0.00 -2.16 0.57 2.35 -1.06 -3.38 115.58 112.60 2dc3 h ASN 52 Ca 0.16 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 55.34 2dc3 h ASN 52 Cb 0.29 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 38.26 2dc3 h ASN 52 CO -0.00 0.69 -0.92 0.49 -1.65 0.00 0.00 177.43 176.04 2dc3 n PHE 53 N -3.39 0.91 0.13 1.19 3.72 0.26 -4.97 117.46 115.31 2dc3 n PHE 53 Ca 0.00 -3.74 0.17 0.00 -0.05 0.00 0.00 57.45 53.83 2dc3 n PHE 53 Cb 0.77 -0.35 0.73 0.00 -0.94 0.00 0.00 39.48 39.69 2dc3 n PHE 53 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 2dc3 h PRO 54 N 4.33 0.00 -0.10 -1.08 0.11 -1.63 -0.56 132.00 133.06 2dc3 h PRO 54 Ca 0.14 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.28 2dc3 h PRO 54 Cb 0.81 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.92 2dc3 h PRO 54 CO 0.57 0.00 0.12 0.66 -0.21 0.00 0.00 178.00 179.14 2dc3 h SER 55 N 0.00 0.00 0.71 -2.05 4.64 -1.93 -0.68 113.55 114.24 2dc3 h SER 55 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2dc3 h SER 55 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 2dc3 h SER 55 CO -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 2dc3 h ALA 56 N 1.86 1.00 0.00 5.18 0.00 -1.45 -2.75 119.26 123.10 2dc3 h ALA 56 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2dc3 h ALA 56 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2dc3 h ALA 56 CO -0.00 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.88 2dc3 n LYS 57 N -3.07 0.14 0.02 0.00 5.02 -0.26 -3.67 118.16 116.33 2dc3 n LYS 57 Ca -0.00 0.35 0.22 0.00 -2.02 0.00 0.00 58.31 56.85 2dc3 n LYS 57 Cb 0.23 -1.75 0.73 0.00 -0.02 0.00 0.00 35.03 34.22 2dc3 n LYS 57 CO 0.00 0.00 0.00 -0.56 -0.52 0.00 0.00 177.40 176.32 2dc3 h GLN 58 N 0.00 0.00 0.00 1.97 3.07 -1.67 -1.00 115.11 117.48 2dc3 h GLN 58 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2dc3 h GLN 58 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.92 2dc3 h GLN 58 CO 0.00 0.00 -0.23 0.66 0.09 0.00 0.00 178.83 179.35 2dc3 n TYR 59 N -3.95 0.17 -3.97 0.06 4.01 -1.24 -4.66 117.16 107.58 2dc3 n TYR 59 Ca 0.10 0.05 -0.31 0.00 -0.16 0.00 0.00 57.90 57.58 2dc3 n TYR 59 Cb 0.69 -0.49 -0.14 0.00 -0.31 0.00 0.00 39.34 39.09 2dc3 n TYR 59 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2dc3 s PHE 60 N -3.03 3.52 0.57 -0.72 0.08 -0.38 -4.98 117.98 113.04 2dc3 s PHE 60 Ca 0.12 -3.03 0.26 0.00 0.12 0.00 0.00 56.93 54.40 2dc3 s PHE 60 Cb 0.17 -2.92 1.64 0.00 -0.57 0.00 0.00 43.02 41.34 2dc3 s PHE 60 CO 0.61 -0.87 2.19 0.66 -0.10 0.00 0.00 175.22 177.71 2dc3 h SER 61 N 7.19 0.00 0.33 1.36 4.64 -1.83 -1.55 113.55 123.70 2dc3 h SER 61 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 2dc3 h SER 61 Cb 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 2dc3 h SER 61 CO 0.60 0.00 -0.48 0.00 -0.87 0.00 0.00 176.83 176.09 2dc3 n GLN 62 N -4.03 0.34 -0.13 4.77 6.02 -1.26 -4.26 117.38 118.82 2dc3 n GLN 62 Ca -0.01 -0.21 0.01 0.00 -0.01 0.00 0.00 57.00 56.77 2dc3 n GLN 62 Cb 0.16 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 29.93 2dc3 n GLN 62 CO 0.00 0.00 0.00 1.97 -1.01 0.00 0.00 177.06 178.02 2dc3 n PHE 63 N -1.15 0.00 0.22 1.08 1.16 -0.88 -4.89 117.46 113.00 2dc3 n PHE 63 Ca 0.08 -0.17 0.13 0.00 -1.87 0.00 0.00 57.45 55.62 2dc3 n PHE 63 Cb 0.35 -0.03 0.66 0.00 -1.61 0.00 0.00 39.48 38.84 2dc3 n PHE 63 CO 0.00 0.00 0.00 1.57 -1.87 0.00 0.00 176.76 176.46 2dc3 h LYS 64 N 0.00 0.00 0.00 3.97 2.10 -1.48 -1.70 116.57 119.46 2dc3 h LYS 64 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2dc3 h LYS 64 Cb 1.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.35 2dc3 h LYS 64 CO 0.00 0.00 -0.89 0.72 -2.00 0.00 0.00 179.45 177.28 2dc3 n HIS 65 N -2.38 0.00 -1.99 0.07 8.25 -1.26 -4.85 115.22 113.06 2dc3 n HIS 65 Ca -0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.04 2dc3 n HIS 65 Cb 0.07 -0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.16 2dc3 n HIS 65 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2dc3 s MET 66 N -2.77 4.26 -0.01 -0.41 -1.94 -0.64 -4.94 119.30 112.85 2dc3 s MET 66 Ca 0.07 2.34 0.01 0.00 -1.71 0.00 0.00 55.69 56.39 2dc3 s MET 66 Cb 0.14 -3.07 -0.01 0.00 2.01 0.00 0.00 34.83 33.90 2dc3 s MET 66 CO 0.77 -0.39 0.00 0.39 -0.01 0.00 0.00 175.02 175.78 2dc3 n GLU 67 N 1.66 3.26 -2.77 2.03 1.02 -1.26 -5.02 120.64 119.57 2dc3 n GLU 67 Ca 0.04 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.76 2dc3 n GLU 67 Cb 0.40 -1.02 -0.03 0.00 -0.02 0.00 0.00 31.44 30.77 2dc3 n GLU 67 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2dc3 s ASP 68 N -3.26 7.07 0.56 1.62 -1.08 -1.26 -4.93 116.67 115.39 2dc3 s ASP 68 Ca -0.01 1.32 0.24 0.00 -0.52 0.00 0.00 52.55 53.59 2dc3 s ASP 68 Cb 0.00 -2.51 1.53 0.00 -1.46 0.00 0.00 42.92 40.49 2dc3 s ASP 68 CO 0.03 -0.49 2.14 1.55 0.52 0.00 0.00 175.17 178.92 2dc3 h PRO 69 N 7.31 0.00 -0.24 4.34 0.13 -1.95 -1.18 132.00 140.41 2dc3 h PRO 69 Ca -0.27 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.77 2dc3 h PRO 69 Cb 1.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 2dc3 h PRO 69 CO 0.88 0.00 -0.24 -0.07 -0.23 0.00 0.00 178.00 178.34 2dc3 h LEU 70 N 0.00 0.45 -0.07 1.56 3.38 -2.00 -1.73 115.31 116.89 2dc3 h LEU 70 Ca 0.06 -0.15 -0.18 0.00 0.09 0.00 0.00 57.88 57.71 2dc3 h LEU 70 Cb 0.27 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 40.91 2dc3 h LEU 70 CO -0.00 0.69 -0.64 -0.08 0.09 0.00 0.00 178.44 178.50 2dc3 h GLU 71 N 0.40 0.56 -0.87 1.13 4.81 -1.65 -3.27 114.58 115.68 2dc3 h GLU 71 Ca 0.06 -0.51 0.09 0.00 -0.13 0.00 0.00 59.36 58.87 2dc3 h GLU 71 Cb 0.64 0.12 -0.07 0.00 0.63 0.00 0.00 28.75 30.07 2dc3 h GLU 71 CO 0.05 1.14 0.52 0.52 -0.73 0.00 0.00 179.01 180.50 2dc3 h MET 72 N 0.16 0.85 -0.08 1.92 2.86 -1.11 -1.68 114.93 117.86 2dc3 h MET 72 Ca -0.06 -0.05 0.02 0.00 -2.06 0.00 0.00 59.70 57.55 2dc3 h MET 72 Cb 1.31 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 32.77 2dc3 h MET 72 CO 0.13 0.56 0.08 0.93 1.06 0.00 0.00 176.91 179.68 2dc3 h GLU 73 N 0.88 0.00 -0.02 1.72 5.08 -1.37 -2.07 114.58 118.79 2dc3 h GLU 73 Ca 0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 2dc3 h GLU 73 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2dc3 h GLU 73 CO -0.24 0.00 -0.16 0.54 -1.00 0.00 0.00 179.01 178.16 2dc3 n ARG 74 N -3.91 1.80 -2.16 2.33 1.74 -0.65 -4.85 116.66 110.95 2dc3 n ARG 74 Ca -0.01 -1.50 -0.43 0.00 -0.77 0.00 0.00 57.85 55.15 2dc3 n ARG 74 Cb 0.18 -1.42 -0.02 0.00 -1.02 0.00 0.00 32.46 30.18 2dc3 n ARG 74 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2dc3 s SER 75 N -2.00 6.74 0.26 0.55 0.15 -0.78 -4.92 113.70 113.69 2dc3 s SER 75 Ca 0.22 1.99 -0.04 0.00 0.70 0.00 0.00 55.95 58.83 2dc3 s SER 75 Cb 0.18 -2.53 0.38 0.00 -1.71 0.00 0.00 66.02 62.33 2dc3 s SER 75 CO 0.36 -0.90 1.87 -0.65 1.20 0.00 0.00 173.24 175.12 2dc3 h PRO 76 N 9.18 1.06 -0.61 5.44 0.11 -1.92 -0.38 132.00 144.88 2dc3 h PRO 76 Ca -0.34 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.67 2dc3 h PRO 76 Cb 1.15 -0.24 -0.03 0.00 0.11 0.00 0.00 31.00 31.99 2dc3 h PRO 76 CO 0.96 0.70 0.24 0.37 -0.21 0.00 0.00 178.00 180.06 2dc3 h GLN 77 N 1.09 0.91 -0.23 1.05 4.15 -1.94 0.11 115.11 120.24 2dc3 h GLN 77 Ca 0.41 -0.17 -0.01 0.00 0.77 0.00 0.00 58.65 59.66 2dc3 h GLN 77 Cb 0.17 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.70 2dc3 h GLN 77 CO -0.17 0.77 0.13 1.25 -1.93 0.00 0.00 178.83 178.88 2dc3 h LEU 78 N 0.85 0.30 -0.84 -2.39 6.46 -1.75 -2.36 115.31 115.57 2dc3 h LEU 78 Ca 0.20 -0.09 -0.05 0.00 -0.12 0.00 0.00 57.88 57.82 2dc3 h LEU 78 Cb 0.21 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.03 2dc3 h LEU 78 CO -0.02 0.30 0.29 0.03 -0.62 0.00 0.00 178.44 178.43 2dc3 h ARG 79 N 0.27 1.15 -0.55 1.25 3.08 -0.79 0.32 114.38 119.10 2dc3 h ARG 79 Ca 0.08 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 2dc3 h ARG 79 Cb 0.08 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 29.92 2dc3 h ARG 79 CO -0.01 0.94 0.29 0.87 -1.07 0.00 0.00 179.97 180.98 2dc3 h LYS 80 N 1.11 0.78 -0.59 0.04 1.57 -0.91 -0.36 116.57 118.22 2dc3 h LYS 80 Ca 0.25 -0.10 -0.07 0.00 -1.87 0.00 0.00 60.65 58.86 2dc3 h LYS 80 Cb 0.23 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 2dc3 h LYS 80 CO -0.02 0.62 0.08 1.25 -0.57 0.00 0.00 179.45 180.81 2dc3 h HIS 81 N 0.74 1.01 -0.18 -1.35 2.76 -0.97 -0.30 115.15 116.85 2dc3 h HIS 81 Ca 0.19 -0.13 0.02 0.00 -2.20 0.00 0.00 60.37 58.25 2dc3 h HIS 81 Cb 0.08 -0.28 -0.02 0.00 1.55 0.00 0.00 27.41 28.74 2dc3 h HIS 81 CO -0.01 0.87 0.05 0.00 -1.30 0.00 0.00 177.93 177.53 2dc3 h ALA 82 N 1.18 0.19 -0.48 5.26 0.00 -0.36 0.23 119.26 125.27 2dc3 h ALA 82 Ca 0.18 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.13 2dc3 h ALA 82 Cb 0.41 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2dc3 h ALA 82 CO 0.01 -0.39 0.31 0.00 0.00 0.00 0.00 179.25 179.19 2dc3 h ARG 84 N 0.64 0.92 -0.23 0.00 2.47 -0.67 -0.95 114.38 116.56 2dc3 h ARG 84 Ca 0.18 -0.23 0.02 0.00 -1.26 0.00 0.00 59.98 58.68 2dc3 h ARG 84 Cb -0.06 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.12 2dc3 h ARG 84 CO -0.05 0.87 0.10 0.28 0.56 0.00 0.00 179.97 181.73 2dc3 h VAL 85 N 0.82 0.97 -0.81 2.04 2.07 -0.44 -0.87 116.25 120.03 2dc3 h VAL 85 Ca 0.17 -0.07 -0.04 0.00 0.82 0.00 0.00 66.70 67.58 2dc3 h VAL 85 Cb 0.38 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 2dc3 h VAL 85 CO 0.01 0.04 0.35 0.24 0.02 0.00 0.00 177.57 178.23 2dc3 h MET 86 N 0.22 1.19 -0.19 1.57 2.86 -1.04 -0.18 114.93 119.35 2dc3 h MET 86 Ca 0.10 -0.20 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 2dc3 h MET 86 Cb 0.04 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.49 2dc3 h MET 86 CO -0.08 0.94 0.10 0.78 1.06 0.00 0.00 176.91 179.71 2dc3 h GLY 87 N 1.18 0.29 0.92 8.32 0.00 -0.93 0.80 103.07 113.65 2dc3 h GLY 87 Ca 0.27 -0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.46 2dc3 h GLY 87 CO -0.03 0.13 0.08 0.00 0.00 0.00 0.00 176.54 176.72 2dc3 h ALA 88 N 0.97 0.20 -0.47 3.60 0.00 -0.92 -2.00 119.26 120.64 2dc3 h ALA 88 Ca 0.07 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2dc3 h ALA 88 Cb 0.10 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2dc3 h ALA 88 CO -0.01 -0.25 0.20 -0.07 0.00 0.00 0.00 179.25 179.12 2dc3 h LEU 89 N 0.13 0.61 -0.81 0.00 3.38 -1.02 -2.01 115.31 115.59 2dc3 h LEU 89 Ca 0.05 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2dc3 h LEU 89 Cb 0.10 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 2dc3 h LEU 89 CO -0.01 0.55 0.47 -1.13 0.09 0.00 0.00 178.44 178.41 2dc3 h ASN 90 N 0.67 0.99 -0.84 -0.43 -1.24 -0.51 0.38 115.58 114.60 2dc3 h ASN 90 Ca 0.16 -0.08 -0.03 0.00 0.71 0.00 0.00 56.30 57.07 2dc3 h ASN 90 Cb 0.13 -0.25 -0.04 0.00 0.73 0.00 0.00 38.32 38.89 2dc3 h ASN 90 CO -0.02 0.78 0.41 0.74 -1.29 0.00 0.00 177.43 178.05 2dc3 h THR 91 N 1.12 1.26 0.24 -3.57 2.02 -0.82 0.07 112.91 113.23 2dc3 h THR 91 Ca 0.29 -0.72 -0.01 0.00 0.77 0.00 0.00 66.41 66.74 2dc3 h THR 91 Cb -0.02 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.58 2dc3 h THR 91 CO -0.05 0.31 -0.12 0.58 0.37 0.00 0.00 175.52 176.61 2dc3 h VAL 92 N 1.19 0.80 -0.42 3.16 2.07 -0.82 -2.76 116.25 119.48 2dc3 h VAL 92 Ca 0.29 -0.26 -0.06 0.00 0.82 0.00 0.00 66.70 67.49 2dc3 h VAL 92 Cb 0.12 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 2dc3 h VAL 92 CO -0.04 0.06 0.02 0.58 0.02 0.00 0.00 177.57 178.21 2dc3 h VAL 93 N -0.46 1.26 0.00 2.57 2.07 -0.66 -1.73 116.25 119.30 2dc3 h VAL 93 Ca -0.03 -0.98 -0.00 0.00 0.82 0.00 0.00 66.70 66.50 2dc3 h VAL 93 Cb 0.34 1.07 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 2dc3 h VAL 93 CO 0.05 0.34 -0.01 -0.33 0.02 0.00 0.00 177.57 177.64 2dc3 h GLU 94 N 0.56 0.00 -0.26 1.57 5.08 -1.01 -2.80 114.58 117.72 2dc3 h GLU 94 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2dc3 h GLU 94 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2dc3 h GLU 94 CO 0.02 0.01 0.00 0.09 -1.00 0.00 0.00 179.01 178.13 2dc3 n ASN 95 N -3.14 3.76 0.31 1.42 3.02 -0.69 -4.66 115.26 115.27 2dc3 n ASN 95 Ca -0.01 -2.92 0.18 0.00 -0.03 0.00 0.00 54.58 51.79 2dc3 n ASN 95 Cb 0.20 -0.51 0.99 0.00 -0.61 0.00 0.00 39.78 39.84 2dc3 n ASN 95 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2dc3 h LEU 96 N 1.78 0.00 0.00 3.41 3.38 -1.17 0.99 115.31 123.71 2dc3 h LEU 96 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2dc3 h LEU 96 Cb 1.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 2dc3 h LEU 96 CO 0.20 0.02 0.00 0.00 0.09 0.00 0.00 178.44 178.75 2dc3 n HIS 97 N -3.51 0.00 -3.76 1.13 1.44 -1.26 -4.33 115.22 104.93 2dc3 n HIS 97 Ca -0.03 0.00 -0.28 0.00 -2.01 0.00 0.00 57.72 55.41 2dc3 n HIS 97 Cb 0.11 -0.46 -0.11 0.00 0.12 0.00 0.00 29.99 29.65 2dc3 n HIS 97 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2dc3 n ASP 98 N -1.46 2.21 -0.29 4.39 -0.08 0.34 -4.98 116.55 116.68 2dc3 n ASP 98 Ca 0.05 -3.02 0.16 0.00 -1.51 0.00 0.00 54.79 50.46 2dc3 n ASP 98 Cb 0.18 -0.71 0.42 0.00 2.34 0.00 0.00 41.12 43.35 2dc3 n ASP 98 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2dc3 h PRO 99 N 5.40 0.57 -0.24 -0.67 0.11 -1.76 -0.87 132.00 134.53 2dc3 h PRO 99 Ca 0.18 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 66.16 2dc3 h PRO 99 Cb 0.79 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.75 2dc3 h PRO 99 CO 0.64 0.38 -0.25 -0.44 -0.21 0.00 0.00 178.00 178.11 2dc3 h ASP 100 N 0.59 0.47 -0.24 -2.05 3.32 -1.93 -0.58 116.42 116.00 2dc3 h ASP 100 Ca 0.51 -0.16 -0.14 0.00 0.02 0.00 0.00 57.03 57.26 2dc3 h ASP 100 Cb 1.02 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.44 2dc3 h ASP 100 CO -0.26 0.72 -0.41 0.50 -1.72 0.00 0.00 179.24 178.07 2dc3 h LYS 101 N 0.41 0.70 -0.56 3.56 1.63 -1.52 -1.86 116.57 118.93 2dc3 h LYS 101 Ca 0.06 -0.44 0.07 0.00 -0.85 0.00 0.00 60.65 59.49 2dc3 h LYS 101 Cb 0.66 0.05 -0.06 0.00 -0.60 0.00 0.00 32.23 32.28 2dc3 h LYS 101 CO 0.05 1.06 0.26 0.28 -3.45 0.00 0.00 179.45 177.64 2dc3 h VAL 102 N 0.42 0.89 -0.37 2.00 2.07 -1.01 -0.76 116.25 119.49 2dc3 h VAL 102 Ca 0.02 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 2dc3 h VAL 102 Cb 1.01 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 2dc3 h VAL 102 CO 0.09 0.09 0.14 0.28 0.02 0.00 0.00 177.57 178.19 2dc3 h SER 103 N 0.48 0.52 -0.45 0.57 0.02 -0.95 -1.78 113.55 111.96 2dc3 h SER 103 Ca 0.26 -0.18 0.04 0.00 -0.84 0.00 0.00 61.79 61.08 2dc3 h SER 103 Cb 0.23 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.60 2dc3 h SER 103 CO -0.22 0.56 0.21 0.28 -1.14 0.00 0.00 176.83 176.52 2dc3 h SER 104 N 0.45 0.28 -0.02 3.07 0.02 -0.90 0.61 113.55 117.05 2dc3 h SER 104 Ca 0.12 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2dc3 h SER 104 Cb 0.21 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.73 2dc3 h SER 104 CO -0.01 0.20 0.00 0.58 -1.14 0.00 0.00 176.83 176.47 2dc3 h VAL 105 N 0.42 1.23 -0.02 2.27 2.07 -0.95 -2.19 116.25 119.08 2dc3 h VAL 105 Ca 0.20 -0.68 -0.10 0.00 0.82 0.00 0.00 66.70 66.94 2dc3 h VAL 105 Cb 0.14 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 2dc3 h VAL 105 CO -0.16 0.18 -0.46 -0.07 0.02 0.00 0.00 177.57 177.08 2dc3 h LEU 106 N -0.23 0.05 -0.50 2.57 3.38 -1.26 -2.21 115.31 117.11 2dc3 h LEU 106 Ca 0.01 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2dc3 h LEU 106 Cb 0.29 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2dc3 h LEU 106 CO 0.00 0.51 0.16 0.00 0.09 0.00 0.00 178.44 179.19 2dc3 h ALA 107 N 1.50 0.66 -0.21 1.53 0.00 -0.72 0.21 119.26 122.23 2dc3 h ALA 107 Ca -0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 2dc3 h ALA 107 Cb 0.84 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2dc3 h ALA 107 CO 0.06 0.32 0.12 -0.07 0.00 0.00 0.00 179.25 179.68 2dc3 h LEU 108 N 0.68 0.26 -0.28 0.00 3.38 -1.04 0.28 115.31 118.59 2dc3 h LEU 108 Ca 0.16 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2dc3 h LEU 108 Cb 0.27 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2dc3 h LEU 108 CO -0.01 0.26 0.19 0.58 0.09 0.00 0.00 178.44 179.55 2dc3 h VAL 109 N 0.25 1.08 -0.20 1.22 2.07 -1.29 -1.89 116.25 117.48 2dc3 h VAL 109 Ca 0.08 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 2dc3 h VAL 109 Cb 0.05 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 2dc3 h VAL 109 CO -0.01 0.07 0.10 1.23 0.02 0.00 0.00 177.57 178.98 2dc3 h GLY 110 N 0.38 0.30 1.20 2.17 0.00 -0.36 -1.60 103.07 105.16 2dc3 h GLY 110 Ca 0.10 -0.15 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 2dc3 h GLY 110 CO -0.02 0.14 0.30 0.50 0.00 0.00 0.00 176.54 177.46 2dc3 h LYS 111 N 0.20 1.03 -0.53 4.80 1.57 -0.85 -0.11 116.57 122.67 2dc3 h LYS 111 Ca 0.07 -0.16 -0.06 0.00 -1.87 0.00 0.00 60.65 58.63 2dc3 h LYS 111 Cb 0.10 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 2dc3 h LYS 111 CO -0.01 0.82 0.10 0.00 -0.57 0.00 0.00 179.45 179.79 2dc3 h ALA 112 N 1.32 0.70 -0.07 3.86 0.00 -1.17 0.29 119.26 124.19 2dc3 h ALA 112 Ca 0.24 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 2dc3 h ALA 112 Cb 0.16 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2dc3 h ALA 112 CO -0.02 0.42 -0.63 0.45 0.00 0.00 0.00 179.25 179.47 2dc3 h HIS 113 N 0.75 0.34 -0.16 0.00 3.86 -0.89 0.50 115.15 119.56 2dc3 h HIS 113 Ca 0.16 -0.14 -0.06 0.00 -1.16 0.00 0.00 60.37 59.18 2dc3 h HIS 113 Cb 0.38 -0.06 -0.00 0.00 1.06 0.00 0.00 27.41 28.79 2dc3 h HIS 113 CO 0.03 0.82 -0.14 0.00 0.86 0.00 0.00 177.93 179.50 2dc3 h ALA 114 N 1.15 0.23 0.05 2.45 0.00 -0.85 0.17 119.26 122.46 2dc3 h ALA 114 Ca -0.01 -0.32 -0.38 0.00 0.00 0.00 0.00 54.91 54.20 2dc3 h ALA 114 Cb 1.15 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.84 2dc3 h ALA 114 CO 0.10 0.10 -2.29 1.28 0.00 0.00 0.00 179.25 178.44 2dc3 n LEU 115 N -4.56 2.77 -0.08 0.00 4.77 0.08 -3.31 117.00 116.67 2dc3 n LEU 115 Ca -0.06 -0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.77 2dc3 n LEU 115 Cb 0.35 -0.94 -0.09 0.00 -2.33 0.00 0.00 43.42 40.41 2dc3 n LEU 115 CO 0.39 0.89 -0.21 0.50 -1.33 0.00 0.00 177.39 177.63 2dc3 h LYS 116 N 0.03 0.00 0.00 3.23 3.64 -1.09 -3.40 116.57 118.98 2dc3 h LYS 116 Ca -0.52 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 2dc3 h LYS 116 Cb 1.96 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.78 2dc3 h LYS 116 CO -0.02 0.72 -0.79 0.72 -2.27 0.00 0.00 179.45 177.81 2dc3 n HIS 117 N -4.54 0.50 -3.62 1.91 8.25 -0.86 -4.97 115.22 111.89 2dc3 n HIS 117 Ca -0.19 0.15 -0.27 0.00 -0.26 0.00 0.00 57.72 57.15 2dc3 n HIS 117 Cb 0.49 -0.62 0.02 0.00 1.12 0.00 0.00 29.99 31.01 2dc3 n HIS 117 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2dc3 n LYS 118 N -2.12 -5.14 -2.46 -0.41 5.02 0.47 -4.93 118.16 108.60 2dc3 n LYS 118 Ca 0.02 0.64 -0.42 0.00 -2.02 0.00 0.00 58.31 56.53 2dc3 n LYS 118 Cb 0.45 -5.50 -0.03 0.00 -0.02 0.00 0.00 35.03 29.93 2dc3 n LYS 118 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2dc3 s VAL 119 N -3.20 4.22 0.21 -0.18 1.01 -0.38 -4.98 120.40 117.10 2dc3 s VAL 119 Ca 0.54 1.56 -0.32 0.00 0.00 0.00 0.00 61.98 63.76 2dc3 s VAL 119 Cb -0.27 -4.00 -0.13 0.00 0.00 0.00 0.00 36.38 31.98 2dc3 s VAL 119 CO 0.67 0.03 1.62 -0.62 0.00 0.00 0.00 175.10 176.80 2dc3 n GLU 120 N 4.83 2.46 0.20 2.72 -0.58 -1.26 -4.72 120.64 124.28 2dc3 n GLU 120 Ca 0.10 0.88 0.17 0.00 -0.42 0.00 0.00 57.16 57.90 2dc3 n GLU 120 Cb 0.46 -2.67 0.83 0.00 -0.57 0.00 0.00 31.44 29.49 2dc3 n GLU 120 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 2dc3 h PRO 121 N 5.87 0.00 -0.87 3.49 0.11 -1.99 -0.28 132.00 138.35 2dc3 h PRO 121 Ca -0.45 0.00 0.20 0.00 0.11 0.00 0.00 66.00 65.86 2dc3 h PRO 121 Cb 1.23 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.28 2dc3 h PRO 121 CO 0.88 0.00 0.58 -0.24 -0.21 0.00 0.00 178.00 179.01 2dc3 h VAL 122 N 0.00 0.69 -0.01 3.15 3.04 -2.00 -0.75 116.25 120.38 2dc3 h VAL 122 Ca 0.09 -0.13 -0.11 0.00 -1.01 0.00 0.00 66.70 65.54 2dc3 h VAL 122 Cb 0.53 0.28 -0.02 0.00 -2.01 0.00 0.00 31.29 30.07 2dc3 h VAL 122 CO -0.00 0.07 -0.53 1.88 -1.01 0.00 0.00 177.57 177.97 2dc3 h TYR 123 N 0.38 0.02 -0.45 3.17 0.05 -1.41 -0.69 116.97 118.04 2dc3 h TYR 123 Ca 0.44 -0.01 -0.06 0.00 0.05 0.00 0.00 58.73 59.15 2dc3 h TYR 123 Cb 1.14 -0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.86 2dc3 h TYR 123 CO -0.00 0.55 0.03 0.74 -1.05 0.00 0.00 178.16 178.43 2dc3 h PHE 124 N 0.01 0.84 -0.12 4.88 -1.00 -1.29 0.78 116.94 121.04 2dc3 h PHE 124 Ca -0.00 -0.13 0.01 0.00 2.81 0.00 0.00 57.97 60.66 2dc3 h PHE 124 Cb 0.95 -0.22 -0.01 0.00 3.61 0.00 0.00 35.95 40.27 2dc3 h PHE 124 CO 0.00 0.80 0.02 -0.22 -1.61 0.00 0.00 178.31 177.31 2dc3 h LYS 125 N 0.63 0.07 -0.16 1.51 1.63 -0.95 -1.16 116.57 118.14 2dc3 h LYS 125 Ca 0.13 -0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.90 2dc3 h LYS 125 Cb 0.45 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.06 2dc3 h LYS 125 CO 0.02 0.05 -0.03 0.82 -3.45 0.00 0.00 179.45 176.86 2dc3 h ILE 126 N 0.08 1.28 -0.95 2.00 2.04 -1.10 -2.27 117.51 118.59 2dc3 h ILE 126 Ca 0.05 -0.95 -0.00 0.00 1.00 0.00 0.00 64.86 64.96 2dc3 h ILE 126 Cb 0.04 1.60 -0.05 0.00 -0.74 0.00 0.00 36.82 37.67 2dc3 h ILE 126 CO -0.07 0.28 0.58 0.25 0.00 0.00 0.00 178.15 179.20 2dc3 h LEU 127 N 0.01 1.13 -1.23 1.44 5.85 -0.77 -1.25 115.31 120.48 2dc3 h LEU 127 Ca 0.04 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 2dc3 h LEU 127 Cb 0.44 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 2dc3 h LEU 127 CO 0.01 0.86 0.20 0.77 -0.34 0.00 0.00 178.44 179.94 2dc3 h SER 128 N 1.31 0.67 -0.70 1.25 4.64 -1.11 -0.81 113.55 118.80 2dc3 h SER 128 Ca 0.34 -0.08 -0.04 0.00 -0.47 0.00 0.00 61.79 61.54 2dc3 h SER 128 Cb -0.08 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 61.81 2dc3 h SER 128 CO -0.07 0.60 0.27 1.23 -0.87 0.00 0.00 176.83 178.00 2dc3 h GLY 129 N 0.87 1.12 1.08 -0.77 0.00 -0.70 -2.47 103.07 102.20 2dc3 h GLY 129 Ca 0.18 -0.62 -0.07 0.00 0.00 0.00 0.00 47.33 46.82 2dc3 h GLY 129 CO -0.02 0.58 0.17 -2.08 0.00 0.00 0.00 176.54 175.20 2dc3 h VAL 130 N 1.00 1.26 -0.44 4.60 2.07 -0.29 -1.06 116.25 123.39 2dc3 h VAL 130 Ca 0.23 -0.98 -0.00 0.00 0.82 0.00 0.00 66.70 66.77 2dc3 h VAL 130 Cb 0.22 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 2dc3 h VAL 130 CO -0.02 0.38 0.27 0.40 0.02 0.00 0.00 177.57 178.62 2dc3 h ILE 131 N 1.08 1.13 -0.56 4.57 2.04 -1.05 0.27 117.51 125.00 2dc3 h ILE 131 Ca 0.22 -0.29 -0.04 0.00 1.00 0.00 0.00 64.86 65.76 2dc3 h ILE 131 Cb 0.37 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 2dc3 h ILE 131 CO 0.00 0.13 0.19 -0.07 0.00 0.00 0.00 178.15 178.41 2dc3 h LEU 132 N 0.58 0.75 -0.43 1.44 3.38 -1.02 -0.63 115.31 119.38 2dc3 h LEU 132 Ca 0.16 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 2dc3 h LEU 132 Cb -0.02 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 2dc3 h LEU 132 CO -0.03 0.70 0.07 -0.33 0.09 0.00 0.00 178.44 178.94 2dc3 h GLU 133 N 0.81 0.71 -0.47 1.13 5.08 -0.37 -1.06 114.58 120.40 2dc3 h GLU 133 Ca 0.19 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 2dc3 h GLU 133 Cb 0.20 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 2dc3 h GLU 133 CO -0.01 0.75 0.15 0.28 -1.00 0.00 0.00 179.01 179.17 2dc3 h VAL 134 N 0.57 1.23 -0.23 3.13 2.07 -0.47 -1.61 116.25 120.94 2dc3 h VAL 134 Ca 0.13 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.90 2dc3 h VAL 134 Cb 0.38 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 2dc3 h VAL 134 CO 0.01 0.27 0.15 0.58 0.02 0.00 0.00 177.57 178.60 2dc3 h VAL 135 N 0.63 1.07 -0.24 2.57 2.07 -1.05 0.14 116.25 121.44 2dc3 h VAL 135 Ca 0.15 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 2dc3 h VAL 135 Cb 0.27 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 2dc3 h VAL 135 CO -0.00 0.06 0.08 0.00 0.02 0.00 0.00 177.57 177.73 2dc3 h ALA 136 N 1.07 1.70 0.07 1.67 0.00 -0.96 -0.59 119.26 122.22 2dc3 h ALA 136 Ca 0.08 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2dc3 h ALA 136 Cb -0.02 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.68 2dc3 h ALA 136 CO -0.02 0.24 -0.45 0.93 0.00 0.00 0.00 179.25 179.95 2dc3 h GLU 137 N 0.33 0.18 -0.72 0.00 5.08 -1.05 -2.60 114.58 115.80 2dc3 h GLU 137 Ca 0.08 -0.29 0.02 0.00 -1.00 0.00 0.00 59.36 58.17 2dc3 h GLU 137 Cb 0.10 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 2dc3 h GLU 137 CO -0.01 1.11 0.48 1.49 -1.00 0.00 0.00 179.01 181.08 2dc3 h GLU 138 N -0.60 0.90 -0.37 2.33 4.57 -0.54 -2.82 114.58 118.05 2dc3 h GLU 138 Ca -0.08 -0.05 -0.13 0.00 -1.18 0.00 0.00 59.36 57.92 2dc3 h GLU 138 Cb 1.32 -0.20 -0.08 0.00 -0.16 0.00 0.00 28.75 29.63 2dc3 h GLU 138 CO 0.08 0.60 0.02 1.19 -1.18 0.00 0.00 179.01 179.72 2dc3 n PHE 139 N -4.44 1.21 -0.20 0.92 3.72 -0.24 -4.79 117.46 113.64 2dc3 n PHE 139 Ca 0.08 -1.30 0.16 0.00 -0.05 0.00 0.00 57.45 56.34 2dc3 n PHE 139 Cb 0.07 -0.46 0.49 0.00 -0.94 0.00 0.00 39.48 38.65 2dc3 n PHE 139 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2dc3 h ALA 140 N 1.39 2.11 0.00 4.37 0.00 -1.19 0.36 119.26 126.30 2dc3 h ALA 140 Ca 0.16 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2dc3 h ALA 140 Cb 1.68 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.41 2dc3 h ALA 140 CO 0.38 -0.34 0.00 -1.13 0.00 0.00 0.00 179.25 178.16 2dc3 n SER 141 N -4.50 0.00 -2.43 0.00 3.41 -1.26 -3.65 113.62 105.20 2dc3 n SER 141 Ca 0.16 0.47 -0.09 0.00 -0.26 0.00 0.00 58.87 59.15 2dc3 n SER 141 Cb 0.57 -0.49 0.04 0.00 -0.26 0.00 0.00 64.21 64.07 2dc3 n SER 141 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2dc3 n ASP 142 N -1.49 2.86 -3.23 4.04 9.92 0.12 -4.95 116.55 123.82 2dc3 n ASP 142 Ca 0.06 -2.73 -0.24 0.00 -0.53 0.00 0.00 54.79 51.34 2dc3 n ASP 142 Cb 0.27 -0.42 -0.06 0.00 -0.64 0.00 0.00 41.12 40.27 2dc3 n ASP 142 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 2dc3 n PHE 143 N -0.62 1.59 -1.46 1.24 7.35 -1.04 -4.98 117.46 119.54 2dc3 n PHE 143 Ca 0.22 -3.85 -0.29 0.00 -0.76 0.00 0.00 57.45 52.77 2dc3 n PHE 143 Cb 0.87 -0.45 0.17 0.00 0.35 0.00 0.00 39.48 40.42 2dc3 n PHE 143 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 2dc3 s PRO 144 N -2.09 0.57 0.31 -7.13 0.04 -1.26 -4.63 135.00 120.81 2dc3 s PRO 144 Ca 0.39 0.17 0.06 0.00 0.04 0.00 0.00 61.00 61.66 2dc3 s PRO 144 Cb 0.21 -1.78 0.72 0.00 0.04 0.00 0.00 34.50 33.68 2dc3 s PRO 144 CO -0.08 -2.56 1.81 -1.35 0.04 0.00 0.00 177.00 174.86 2dc3 h PRO 145 N -1.76 0.78 -0.92 0.56 0.11 -1.99 -0.29 132.00 128.49 2dc3 h PRO 145 Ca -0.49 -0.05 0.05 0.00 0.11 0.00 0.00 66.00 65.62 2dc3 h PRO 145 Cb 1.31 -0.18 -0.06 0.00 0.11 0.00 0.00 31.00 32.19 2dc3 h PRO 145 CO 0.54 0.52 0.59 0.93 -0.21 0.00 0.00 178.00 180.37 2dc3 h GLU 146 N 0.80 1.08 0.11 1.05 3.07 -2.00 -1.13 114.58 117.57 2dc3 h GLU 146 Ca 0.53 -0.06 -0.29 0.00 -0.50 0.00 0.00 59.36 59.04 2dc3 h GLU 146 Cb 0.78 -0.24 0.03 0.00 -0.84 0.00 0.00 28.75 28.47 2dc3 h GLU 146 CO -0.31 0.71 -1.20 1.15 -1.40 0.00 0.00 179.01 177.96 2dc3 h THR 147 N 1.11 1.29 -0.58 1.13 2.02 -1.55 -2.45 112.91 113.89 2dc3 h THR 147 Ca 0.38 -2.44 0.08 0.00 0.77 0.00 0.00 66.41 65.21 2dc3 h THR 147 Cb 0.09 2.70 -0.06 0.00 -1.74 0.00 0.00 68.15 69.14 2dc3 h THR 147 CO -0.15 0.74 0.23 1.56 0.37 0.00 0.00 175.52 178.27 2dc3 h GLN 148 N 0.24 0.41 -0.60 6.66 4.20 -0.91 -1.93 115.11 123.18 2dc3 h GLN 148 Ca -0.18 -0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.42 2dc3 h GLN 148 Cb 1.88 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 29.54 2dc3 h GLN 148 CO 0.23 0.27 0.04 -0.09 -0.67 0.00 0.00 178.83 178.61 2dc3 h ARG 149 N 0.42 1.02 -0.32 1.46 2.43 -1.17 -0.51 114.38 117.71 2dc3 h ARG 149 Ca 0.28 -0.29 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2dc3 h ARG 149 Cb 0.31 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 2dc3 h ARG 149 CO -0.27 0.98 0.20 0.00 -1.51 0.00 0.00 179.97 179.37 2dc3 h ALA 150 N 1.09 0.41 -0.15 2.80 0.00 -1.03 -0.91 119.26 121.47 2dc3 h ALA 150 Ca 0.18 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 2dc3 h ALA 150 Cb 0.49 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2dc3 h ALA 150 CO 0.02 -0.10 -0.44 -1.49 0.00 0.00 0.00 179.25 177.25 2dc3 h TRP 151 N 0.42 0.42 -0.68 0.00 4.06 -1.11 -1.78 115.95 117.28 2dc3 h TRP 151 Ca 0.12 -0.12 -0.06 0.00 2.06 0.00 0.00 58.89 60.89 2dc3 h TRP 151 Cb -0.00 -0.09 -0.03 0.00 -1.00 0.00 0.00 29.16 28.04 2dc3 h TRP 151 CO -0.04 0.73 0.21 0.00 -3.56 0.00 0.00 178.44 175.77 2dc3 h ALA 152 N 1.25 0.89 -0.73 1.49 0.00 -0.69 0.01 119.26 121.49 2dc3 h ALA 152 Ca 0.02 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 2dc3 h ALA 152 Cb 0.89 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2dc3 h ALA 152 CO 0.07 0.57 0.29 0.87 0.00 0.00 0.00 179.25 181.05 2dc3 h LYS 153 N 0.99 1.10 -0.53 0.00 1.57 -0.87 -1.80 116.57 117.03 2dc3 h LYS 153 Ca 0.22 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 2dc3 h LYS 153 Cb 0.31 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 2dc3 h LYS 153 CO -0.01 0.91 0.20 1.25 -0.57 0.00 0.00 179.45 181.23 2dc3 h LEU 154 N 1.06 0.74 -0.41 2.94 5.85 -0.76 -0.07 115.31 124.67 2dc3 h LEU 154 Ca 0.24 -0.18 0.06 0.00 0.84 0.00 0.00 57.88 58.85 2dc3 h LEU 154 Cb 0.22 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.00 2dc3 h LEU 154 CO -0.02 0.72 0.07 -0.09 -0.34 0.00 0.00 178.44 178.78 2dc3 h ARG 155 N 0.72 0.19 -0.82 1.25 2.43 -0.81 -1.06 114.38 116.29 2dc3 h ARG 155 Ca 0.18 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.35 2dc3 h ARG 155 Cb 0.22 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.68 2dc3 h ARG 155 CO -0.01 0.13 0.54 0.78 -1.51 0.00 0.00 179.97 179.90 2dc3 h GLY 156 N 0.20 1.16 0.95 2.80 0.00 -0.94 -1.74 103.07 105.50 2dc3 h GLY 156 Ca 0.20 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 2dc3 h GLY 156 CO -0.27 0.41 0.07 -2.00 0.00 0.00 0.00 176.54 174.75 2dc3 h LEU 157 N 1.10 0.15 0.03 3.11 6.46 -0.50 0.12 115.31 125.78 2dc3 h LEU 157 Ca 0.31 -0.06 0.00 0.00 -0.12 0.00 0.00 57.88 58.01 2dc3 h LEU 157 Cb -0.10 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 39.78 2dc3 h LEU 157 CO -0.07 0.17 -0.04 0.40 -0.62 0.00 0.00 178.44 178.27 2dc3 h ILE 158 N 0.12 0.90 -0.33 4.05 2.04 -0.91 -1.10 117.51 122.26 2dc3 h ILE 158 Ca 0.04 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.84 2dc3 h ILE 158 Cb 0.05 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 2dc3 h ILE 158 CO -0.01 0.00 -0.04 0.22 0.00 0.00 0.00 178.15 178.32 2dc3 h TYR 159 N -0.09 0.68 -0.25 1.37 3.20 -1.18 -1.57 116.97 119.14 2dc3 h TYR 159 Ca 0.01 -0.13 0.05 0.00 3.14 0.00 0.00 58.73 61.80 2dc3 h TYR 159 Cb 0.10 -0.17 -0.05 0.00 1.54 0.00 0.00 36.73 38.14 2dc3 h TYR 159 CO -0.10 0.76 -0.08 1.03 -1.64 0.00 0.00 178.16 178.13 2dc3 h SER 160 N 0.41 -0.28 -0.55 -2.11 0.87 -0.66 -0.01 113.55 111.23 2dc3 h SER 160 Ca 0.09 0.08 -0.10 0.00 -1.23 0.00 0.00 61.79 60.63 2dc3 h SER 160 Cb 0.52 0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.63 2dc3 h SER 160 CO 0.03 -0.10 -0.04 0.45 -0.53 0.00 0.00 176.83 176.63 2dc3 h HIS 161 N -0.03 1.10 -0.35 2.24 3.86 -1.04 -1.19 115.15 119.74 2dc3 h HIS 161 Ca 0.12 -0.21 -0.02 0.00 -1.16 0.00 0.00 60.37 59.11 2dc3 h HIS 161 Cb 0.21 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.39 2dc3 h HIS 161 CO -0.26 1.00 0.14 0.28 0.86 0.00 0.00 177.93 179.95 2dc3 h VAL 162 N 0.87 1.19 -0.30 2.45 2.07 -1.01 -2.07 116.25 119.45 2dc3 h VAL 162 Ca 0.15 -0.57 -0.07 0.00 0.82 0.00 0.00 66.70 67.03 2dc3 h VAL 162 Cb 0.60 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 2dc3 h VAL 162 CO 0.04 0.20 -0.12 0.71 0.02 0.00 0.00 177.57 178.41 2dc3 h THR 163 N 0.42 1.23 -0.89 2.57 1.35 -0.93 -0.98 112.91 115.68 2dc3 h THR 163 Ca 0.12 -1.03 0.01 0.00 -0.55 0.00 0.00 66.41 64.95 2dc3 h THR 163 Cb 0.18 1.14 -0.04 0.00 -1.73 0.00 0.00 68.15 67.70 2dc3 h THR 163 CO -0.01 0.34 0.59 0.00 -0.25 0.00 0.00 175.52 176.19 2dc3 h ALA 164 N 1.39 1.37 -0.37 6.62 0.00 -0.98 -1.13 119.26 126.16 2dc3 h ALA 164 Ca 0.09 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 2dc3 h ALA 164 Cb 0.50 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2dc3 h ALA 164 CO 0.03 0.58 -0.33 0.00 0.00 0.00 0.00 179.25 179.53 2dc3 h ALA 165 N 1.45 0.54 -0.40 0.00 0.00 -0.63 -0.88 119.26 119.35 2dc3 h ALA 165 Ca 0.33 -0.43 0.04 0.00 0.00 0.00 0.00 54.91 54.84 2dc3 h ALA 165 Cb -0.13 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 2dc3 h ALA 165 CO -0.07 0.61 0.18 1.88 0.00 0.00 0.00 179.25 181.84 2dc3 h TYR 166 N 0.69 0.32 -0.93 0.00 -1.99 -0.91 -2.52 116.97 111.63 2dc3 h TYR 166 Ca 0.06 0.02 0.01 0.00 2.00 0.00 0.00 58.73 60.82 2dc3 h TYR 166 Cb 0.92 -0.09 -0.05 0.00 2.00 0.00 0.00 36.73 39.51 2dc3 h TYR 166 CO 0.06 0.16 0.62 -0.22 -0.00 0.00 0.00 178.16 178.78 2dc3 h LYS 167 N 0.37 1.23 -0.54 4.88 3.64 -0.94 -0.46 116.57 124.74 2dc3 h LYS 167 Ca 0.18 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 2dc3 h LYS 167 Cb 0.11 -0.28 -0.03 0.00 -0.41 0.00 0.00 32.23 31.63 2dc3 h LYS 167 CO -0.14 0.81 0.20 1.49 -2.27 0.00 0.00 179.45 179.53 2dc3 h GLU 168 N 1.26 0.80 -0.43 1.90 4.22 -0.80 -1.47 114.58 120.06 2dc3 h GLU 168 Ca 0.34 -0.13 0.00 0.00 0.08 0.00 0.00 59.36 59.65 2dc3 h GLU 168 Cb -0.15 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 28.97 2dc3 h GLU 168 CO -0.07 0.67 0.00 1.33 -2.18 0.00 0.00 179.01 178.76 2dc3 n VAL 169 N -4.32 0.61 -0.54 0.32 0.24 -0.98 -4.92 118.33 108.74 2dc3 n VAL 169 Ca 0.04 -0.55 0.00 0.00 -2.04 0.00 0.00 64.34 61.79 2dc3 n VAL 169 Cb 0.18 0.22 0.00 0.00 -1.47 0.00 0.00 33.84 32.76 2dc3 n VAL 169 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2dc3 n GLY 170 N 1.08 0.73 3.71 7.63 0.00 -0.55 -5.02 105.19 112.76 2dc3 n GLY 170 Ca 0.14 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 2dc3 n GLY 170 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2dc3 s TRP 171 N -2.00 3.04 -0.35 1.61 -0.11 -0.22 -4.97 118.94 115.94 2dc3 s TRP 171 Ca 0.00 0.83 -0.07 0.00 1.22 0.00 0.00 56.10 58.08 2dc3 s TRP 171 Cb 0.00 -3.72 0.04 0.00 -1.50 0.00 0.00 33.47 28.29 2dc3 s TRP 171 CO 0.00 -2.62 0.13 0.08 -4.62 0.00 0.00 176.95 169.92 2dc3 s VAL 172 N 1.60 3.97 0.27 5.86 1.01 -1.26 -4.20 120.40 127.66 2dc3 s VAL 172 Ca 0.66 -1.09 -0.29 0.00 0.00 0.00 0.00 61.98 61.26 2dc3 s VAL 172 Cb -0.36 -3.25 -0.09 0.00 0.00 0.00 0.00 36.38 32.67 2dc3 s VAL 172 CO 0.30 -0.21 0.99 -1.10 0.00 0.00 0.00 175.10 175.08 2dc3 s GLN 173 N 1.43 4.72 0.20 2.72 -0.21 -1.26 -5.02 119.66 122.25 2dc3 s GLN 173 Ca -0.01 1.55 0.11 0.00 0.02 0.00 0.00 55.36 57.03 2dc3 s GLN 173 Cb -0.20 -3.15 -0.04 0.00 1.00 0.00 0.00 33.01 30.62 2dc3 s GLN 173 CO 0.04 0.37 -0.18 -0.65 -2.12 0.00 0.00 175.29 172.75 2dc3 s GLN 174 N -1.45 1.74 -0.17 2.91 -0.21 -1.26 -5.09 119.66 116.14 2dc3 s GLN 174 Ca 0.44 -1.47 -0.02 0.00 0.02 0.00 0.00 55.36 54.33 2dc3 s GLN 174 Cb -0.26 -1.95 0.05 0.00 1.00 0.00 0.00 33.01 31.85 2dc3 s GLN 174 CO 0.33 0.40 0.01 0.08 -2.12 0.00 0.00 175.29 173.99 2dc3 s VAL 175 N -1.82 0.62 0.81 1.09 1.01 -1.26 -2.84 120.40 118.01 2dc3 s VAL 175 Ca 0.24 -0.45 -0.12 0.00 0.00 0.00 0.00 61.98 61.64 2dc3 s VAL 175 Cb -0.08 -1.00 0.08 0.00 0.00 0.00 0.00 36.38 35.39 2dc3 s VAL 175 CO 0.13 -0.05 1.17 -2.84 0.00 0.00 0.00 175.10 173.50 2dc3 s PRO 176 N 1.83 1.71 1.05 2.72 0.02 -1.26 -5.12 135.00 135.96 2dc3 s PRO 176 Ca 0.00 1.59 -0.12 0.00 0.02 0.00 0.00 61.00 62.49 2dc3 s PRO 176 Cb -0.16 -1.80 0.22 0.00 0.02 0.00 0.00 34.50 32.78 2dc3 s PRO 176 CO -0.07 -2.12 1.07 0.54 -0.33 0.00 0.00 177.00 176.08 2dc3 s ASN 177 N -2.48 2.03 0.53 2.53 2.20 -1.13 -4.89 114.94 113.73 2dc3 s ASN 177 Ca 0.69 1.43 0.27 0.00 -0.94 0.00 0.00 52.86 54.31 2dc3 s ASN 177 Cb -0.25 -2.13 1.48 0.00 -2.00 0.00 0.00 41.25 38.35 2dc3 s ASN 177 CO 0.52 -3.53 2.10 0.00 -2.94 0.00 0.00 177.10 173.24 2dc3 h ALA 178 N -2.17 1.36 0.00 3.54 0.00 -1.96 -2.46 119.26 117.57 2dc3 h ALA 178 Ca -0.56 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.25 2dc3 h ALA 178 Cb 1.32 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2dc3 h ALA 178 CO 0.53 0.13 -0.24 0.25 0.00 0.00 0.00 179.25 179.92 2dc3 n THR 179 N -3.73 0.36 -2.56 0.00 -2.24 -1.26 -4.88 114.28 99.97 2dc3 n THR 179 Ca -0.02 -0.20 -0.42 0.00 -2.27 0.00 0.00 64.05 61.14 2dc3 n THR 179 Cb 0.21 -0.35 -0.03 0.00 -2.10 0.00 0.00 70.33 68.07 2dc3 n THR 179 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2dc3 s THR 180 N -3.09 4.48 0.76 4.28 2.01 -0.93 -5.00 115.64 118.14 2dc3 s THR 180 Ca 0.10 1.78 -0.12 0.00 0.31 0.00 0.00 61.69 63.75 2dc3 s THR 180 Cb 0.14 -4.14 0.05 0.00 0.01 0.00 0.00 72.50 68.57 2dc3 s THR 180 CO 0.63 0.07 1.12 -2.84 -0.69 0.00 0.00 174.62 172.92 2dc3 s PRO 181 N 1.55 2.20 0.36 4.92 0.02 -1.26 -4.96 135.00 137.83 2dc3 s PRO 181 Ca 0.54 1.38 -0.27 0.00 0.02 0.00 0.00 61.00 62.67 2dc3 s PRO 181 Cb -0.24 -1.88 -0.09 0.00 0.02 0.00 0.00 34.50 32.32 2dc3 s PRO 181 CO 0.25 -1.72 1.15 -1.25 -0.33 0.00 0.00 177.00 175.10 2dc3 s PRO 182 N -4.49 4.26 0.25 5.54 0.04 -1.26 -4.99 135.00 134.34 2dc3 s PRO 182 Ca 0.66 1.83 -0.30 0.00 0.04 0.00 0.00 61.00 63.23 2dc3 s PRO 182 Cb -0.21 -2.84 -0.09 0.00 0.04 0.00 0.00 34.50 31.40 2dc3 s PRO 182 CO 0.51 -0.14 1.27 0.00 0.04 0.00 0.00 177.00 178.68 2dc3 s ALA 183 N -1.34 3.50 0.18 8.56 0.00 -1.26 -4.94 121.76 126.45 2dc3 s ALA 183 Ca 0.53 1.11 -0.01 0.00 0.00 0.00 0.00 51.96 53.59 2dc3 s ALA 183 Cb -0.31 -3.45 0.07 0.00 0.00 0.00 0.00 23.12 19.43 2dc3 s ALA 183 CO 0.40 -0.50 1.44 1.15 0.00 0.00 0.00 175.76 178.25 2dc3 h THR 184 N 3.43 1.37 -3.19 0.00 2.02 -2.06 -3.35 112.91 111.15 2dc3 h THR 184 Ca -0.46 -2.11 -0.63 0.00 0.77 0.00 0.00 66.41 63.99 2dc3 h THR 184 Cb 1.22 2.08 -0.41 0.00 -1.74 0.00 0.00 68.15 69.30 2dc3 h THR 184 CO 0.72 0.63 -0.66 -0.22 0.37 0.00 0.00 175.52 176.36 2dc3 s LEU 185 N -7.98 3.86 0.82 2.58 2.96 -1.26 -5.12 118.68 114.54 2dc3 s LEU 185 Ca -0.06 -3.06 -0.12 0.00 -0.22 0.00 0.00 54.13 50.68 2dc3 s LEU 185 Cb 0.11 -1.43 0.08 0.00 0.50 0.00 0.00 46.19 45.45 2dc3 s LEU 185 CO 0.84 -0.21 1.10 -2.16 -1.32 0.00 0.00 176.35 174.60 2dc3 s PRO 186 N -0.31 1.89 0.04 0.98 0.04 -1.26 -5.08 135.00 131.30 2dc3 s PRO 186 Ca 0.19 0.59 0.04 0.00 0.04 0.00 0.00 61.00 61.86 2dc3 s PRO 186 Cb -0.21 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.41 2dc3 s PRO 186 CO -0.04 -1.75 -0.11 -1.54 0.04 0.00 0.00 177.00 173.61 2dc3 s SER 187 N -3.90 1.26 0.00 6.66 1.04 -1.26 -5.15 113.70 112.35 2dc3 s SER 187 Ca 0.61 -0.48 0.28 0.00 0.48 0.00 0.00 55.95 56.85 2dc3 s SER 187 Cb -0.15 -0.04 1.01 0.00 0.10 0.00 0.00 66.02 66.95 2dc3 s SER 187 CO 0.54 -0.06 1.72 -1.20 0.98 0.00 0.00 173.24 175.22