#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dps s LEU 15 N 0.00 3.69 0.30 2.23 1.43 0.12 -5.02 118.68 121.43 1dps s LEU 15 Ca 0.00 1.73 -0.29 0.00 -1.03 0.00 0.00 54.13 54.54 1dps s LEU 15 Cb 0.00 -4.53 -0.10 0.00 0.03 0.00 0.00 46.19 41.59 1dps s LEU 15 CO 0.00 -0.75 1.18 -0.47 0.23 0.00 0.00 176.35 176.54 1dps s TYR 16 N -2.37 3.37 -0.07 0.29 5.04 -1.26 -4.57 117.35 117.78 1dps s TYR 16 Ca 0.62 1.58 -0.27 0.00 -2.44 0.00 0.00 57.07 56.57 1dps s TYR 16 Cb -0.13 -3.44 0.06 0.00 0.35 0.00 0.00 41.96 38.80 1dps s TYR 16 CO 0.28 -1.08 0.60 -0.08 -1.34 0.00 0.00 175.55 173.93 1dps s THR 17 N -1.11 0.01 -0.27 4.34 -1.32 -1.26 -5.00 115.64 111.04 1dps s THR 17 Ca 0.46 -0.09 0.27 0.00 -1.21 0.00 0.00 61.69 61.13 1dps s THR 17 Cb -0.35 -0.91 0.30 0.00 -1.51 0.00 0.00 72.50 70.03 1dps s THR 17 CO 0.45 -0.05 1.82 0.03 -2.21 0.00 0.00 174.62 174.66 1dps h ARG 18 N 3.44 0.00 -6.26 7.08 3.08 -1.96 -3.44 114.38 116.33 1dps h ARG 18 Ca -0.28 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.17 1dps h ARG 18 Cb 1.15 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.22 1dps h ARG 18 CO 0.35 0.00 1.16 -1.71 -1.07 0.00 0.00 179.97 178.71 1dps n ASN 19 N -2.56 3.53 -1.03 7.04 2.85 -1.26 -4.89 115.26 118.93 1dps n ASN 19 Ca 0.02 0.90 0.05 0.00 -0.11 0.00 0.00 54.58 55.43 1dps n ASN 19 Cb 0.26 -1.40 0.20 0.00 1.24 0.00 0.00 39.78 40.08 1dps n ASN 19 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 1dps n ASP 20 N 7.23 2.94 -4.74 1.20 5.75 -1.26 -4.92 116.55 122.74 1dps n ASP 20 Ca 0.23 -2.29 -0.42 0.00 -0.01 0.00 0.00 54.79 52.30 1dps n ASP 20 Cb 0.32 -0.46 -0.00 0.00 -1.03 0.00 0.00 41.12 39.94 1dps n ASP 20 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1dps n VAL 21 N 0.46 1.90 -1.40 2.12 0.31 -1.26 -4.90 118.33 115.56 1dps n VAL 21 Ca 0.14 -0.47 -0.36 0.00 -0.01 0.00 0.00 64.34 63.64 1dps n VAL 21 Cb 0.58 -1.80 0.09 0.00 -0.91 0.00 0.00 33.84 31.80 1dps n VAL 21 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1dps n SER 22 N 0.75 0.99 -0.30 4.52 3.41 -1.26 -4.72 113.62 117.01 1dps n SER 22 Ca 0.03 0.69 0.03 0.00 -0.26 0.00 0.00 58.87 59.36 1dps n SER 22 Cb 0.37 -1.46 0.16 0.00 -0.26 0.00 0.00 64.21 63.02 1dps n SER 22 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1dps h ASP 23 N -0.17 0.72 -0.00 4.04 3.32 -1.98 0.09 116.42 122.44 1dps h ASP 23 Ca -0.48 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1dps h ASP 23 Cb 1.33 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.77 1dps h ASP 23 CO 0.48 0.42 -0.01 -1.28 -1.72 0.00 0.00 179.24 177.13 1dps h SER 24 N 0.84 -0.04 -0.21 6.45 0.87 -2.00 -0.98 113.55 118.48 1dps h SER 24 Ca 0.40 0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.87 1dps h SER 24 Cb 0.33 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.29 1dps h SER 24 CO -0.23 -0.02 -0.17 -0.08 -0.53 0.00 0.00 176.83 175.80 1dps h GLU 25 N -0.02 0.64 0.12 2.24 4.81 -1.85 -1.94 114.58 118.57 1dps h GLU 25 Ca 0.01 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.01 1dps h GLU 25 Cb 0.03 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.37 1dps h GLU 25 CO -0.02 0.77 -0.06 0.87 -0.73 0.00 0.00 179.01 179.85 1dps h LYS 26 N 0.57 -0.16 -0.41 1.92 1.57 -0.75 0.11 116.57 119.42 1dps h LYS 26 Ca 0.09 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1dps h LYS 26 Cb 0.62 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.94 1dps h LYS 26 CO 0.04 -0.10 0.25 0.87 -0.57 0.00 0.00 179.45 179.93 1dps h LYS 27 N -0.17 0.56 -0.62 3.15 1.57 -1.09 0.44 116.57 120.42 1dps h LYS 27 Ca -0.02 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.63 1dps h LYS 27 Cb 0.13 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 1dps h LYS 27 CO 0.03 0.42 0.08 0.00 -0.57 0.00 0.00 179.45 179.41 1dps h ALA 28 N 1.11 0.98 -0.39 3.86 0.00 -1.20 -1.89 119.26 121.73 1dps h ALA 28 Ca 0.15 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 1dps h ALA 28 Cb 0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1dps h ALA 28 CO -0.03 0.64 -0.31 1.15 0.00 0.00 0.00 179.25 180.71 1dps h THR 29 N 0.95 1.28 -0.72 0.00 2.02 -0.54 -2.05 112.91 113.85 1dps h THR 29 Ca 0.19 -1.47 -0.02 0.00 0.77 0.00 0.00 66.41 65.88 1dps h THR 29 Cb 0.44 1.36 -0.03 0.00 -1.74 0.00 0.00 68.15 68.18 1dps h THR 29 CO 0.01 0.49 0.39 0.58 0.37 0.00 0.00 175.52 177.37 1dps h VAL 30 N 0.70 1.22 -0.53 3.16 2.07 -0.75 -0.07 116.25 122.05 1dps h VAL 30 Ca 0.07 -0.56 -0.07 0.00 0.82 0.00 0.00 66.70 66.96 1dps h VAL 30 Cb 0.89 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 1dps h VAL 30 CO 0.08 0.25 0.05 -0.33 0.02 0.00 0.00 177.57 177.64 1dps h GLU 31 N 0.99 0.90 0.03 1.57 4.39 -1.28 -1.13 114.58 120.06 1dps h GLU 31 Ca 0.25 -0.26 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 1dps h GLU 31 Cb 0.04 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 1dps h GLU 31 CO -0.04 0.89 -0.02 1.25 -1.16 0.00 0.00 179.01 179.94 1dps h LEU 32 N 0.78 -0.04 -0.83 1.33 6.46 -1.12 -2.38 115.31 119.50 1dps h LEU 32 Ca 0.16 -0.09 -0.02 0.00 -0.12 0.00 0.00 57.88 57.80 1dps h LEU 32 Cb 0.46 0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 40.36 1dps h LEU 32 CO 0.02 0.07 0.44 -0.07 -0.62 0.00 0.00 178.44 178.28 1dps h LEU 33 N -0.14 1.05 -1.22 2.25 3.38 -0.90 -2.61 115.31 117.12 1dps h LEU 33 Ca -0.00 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 1dps h LEU 33 Cb 0.13 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1dps h LEU 33 CO 0.01 0.86 -0.09 0.78 0.09 0.00 0.00 178.44 180.10 1dps h ASN 34 N 1.16 0.41 -0.48 -0.43 2.35 -1.10 0.43 115.58 117.93 1dps h ASN 34 Ca 0.29 -0.09 -0.03 0.00 -0.55 0.00 0.00 56.30 55.91 1dps h ASN 34 Cb 0.06 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 1dps h ASN 34 CO -0.04 0.54 0.16 0.03 -1.65 0.00 0.00 177.43 176.47 1dps h ARG 35 N 0.41 0.74 -0.44 0.81 3.08 -1.17 -1.42 114.38 116.38 1dps h ARG 35 Ca 0.08 -0.15 -0.06 0.00 0.07 0.00 0.00 59.98 59.92 1dps h ARG 35 Cb 0.41 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 1dps h ARG 35 CO 0.02 0.69 0.04 1.96 -1.07 0.00 0.00 179.97 181.61 1dps h GLN 36 N 0.64 0.75 -0.62 0.04 1.08 -1.06 -2.94 115.11 113.00 1dps h GLN 36 Ca 0.16 -0.22 0.02 0.00 -1.45 0.00 0.00 58.65 57.16 1dps h GLN 36 Cb 0.25 -0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 27.56 1dps h GLN 36 CO -0.01 0.79 0.39 0.28 -0.95 0.00 0.00 178.83 179.33 1dps h VAL 37 N 0.60 1.09 0.25 -0.54 2.07 -0.68 -0.05 116.25 118.99 1dps h VAL 37 Ca 0.13 -0.26 0.01 0.00 0.82 0.00 0.00 66.70 67.39 1dps h VAL 37 Cb 0.42 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 1dps h VAL 37 CO 0.01 0.14 -0.29 0.40 0.02 0.00 0.00 177.57 177.85 1dps h ILE 38 N 0.77 0.38 0.00 4.57 2.04 -1.20 -0.68 117.51 123.39 1dps h ILE 38 Ca 0.24 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 66.00 1dps h ILE 38 Cb -0.00 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 1dps h ILE 38 CO -0.09 0.00 -0.48 0.06 0.00 0.00 0.00 178.15 177.64 1dps h GLN 39 N -0.59 0.00 -0.43 2.37 3.07 -1.33 -1.24 115.11 116.95 1dps h GLN 39 Ca -0.00 0.00 -0.14 0.00 0.09 0.00 0.00 58.65 58.60 1dps h GLN 39 Cb 0.56 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.11 1dps h GLN 39 CO -0.09 0.48 -0.28 0.74 0.09 0.00 0.00 178.83 179.78 1dps h PHE 40 N 0.00 1.09 -0.24 0.06 -1.00 -0.82 -0.15 116.94 115.88 1dps h PHE 40 Ca -0.00 -0.28 -0.05 0.00 2.81 0.00 0.00 57.97 60.44 1dps h PHE 40 Cb 0.90 -0.25 -0.01 0.00 3.61 0.00 0.00 35.95 40.21 1dps h PHE 40 CO 0.00 1.10 -0.05 0.82 -1.61 0.00 0.00 178.31 178.57 1dps h ILE 41 N 0.79 1.28 -0.68 -0.55 2.04 -0.93 -1.31 117.51 118.15 1dps h ILE 41 Ca 0.09 -1.04 -0.00 0.00 1.00 0.00 0.00 64.86 64.91 1dps h ILE 41 Cb 0.85 1.47 -0.03 0.00 -0.74 0.00 0.00 36.82 38.37 1dps h ILE 41 CO 0.08 0.32 0.41 -0.78 0.00 0.00 0.00 178.15 178.17 1dps h ASP 42 N 0.20 0.82 -0.28 1.72 3.58 -1.17 -1.63 116.42 119.66 1dps h ASP 42 Ca 0.06 -0.06 -0.05 0.00 0.42 0.00 0.00 57.03 57.40 1dps h ASP 42 Cb 0.50 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.33 1dps h ASP 42 CO 0.02 0.64 0.02 0.25 -2.88 0.00 0.00 179.24 177.30 1dps h LEU 43 N 0.93 0.55 -0.87 2.28 5.85 -0.92 -0.57 115.31 122.54 1dps h LEU 43 Ca 0.24 -0.10 -0.11 0.00 0.84 0.00 0.00 57.88 58.75 1dps h LEU 43 Cb -0.02 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 1dps h LEU 43 CO -0.05 0.61 -0.35 0.77 -0.34 0.00 0.00 178.44 179.08 1dps h SER 44 N 0.56 0.42 -0.27 1.25 4.64 -0.44 -0.25 113.55 119.46 1dps h SER 44 Ca 0.12 -0.17 -0.13 0.00 -0.47 0.00 0.00 61.79 61.15 1dps h SER 44 Cb 0.33 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1dps h SER 44 CO 0.01 0.75 -0.34 -0.07 -0.87 0.00 0.00 176.83 176.31 1dps h LEU 45 N 0.35 0.76 -1.05 5.97 3.38 -0.60 -2.90 115.31 121.21 1dps h LEU 45 Ca 0.04 -0.50 -0.05 0.00 0.09 0.00 0.00 57.88 57.47 1dps h LEU 45 Cb 0.78 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1dps h LEU 45 CO 0.06 1.10 0.14 0.40 0.09 0.00 0.00 178.44 180.23 1dps h ILE 46 N 0.43 1.22 -0.52 1.22 2.04 -0.99 -1.29 117.51 119.62 1dps h ILE 46 Ca 0.03 -0.79 0.01 0.00 1.00 0.00 0.00 64.86 65.11 1dps h ILE 46 Cb 0.92 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 1dps h ILE 46 CO 0.08 0.30 0.34 0.74 0.00 0.00 0.00 178.15 179.61 1dps h THR 47 N 0.79 1.13 -0.17 -0.27 2.02 -0.91 -1.62 112.91 113.89 1dps h THR 47 Ca 0.18 -0.24 -0.18 0.00 0.77 0.00 0.00 66.41 66.94 1dps h THR 47 Cb 0.28 0.37 -0.00 0.00 -1.74 0.00 0.00 68.15 67.05 1dps h THR 47 CO -0.00 0.13 -0.62 0.11 0.37 0.00 0.00 175.52 175.50 1dps h LYS 48 N 0.70 0.58 -0.50 6.66 1.79 -1.31 -1.61 116.57 122.89 1dps h LYS 48 Ca 0.19 -0.41 0.06 0.00 -2.18 0.00 0.00 60.65 58.32 1dps h LYS 48 Cb -0.08 0.06 -0.05 0.00 -1.58 0.00 0.00 32.23 30.58 1dps h LYS 48 CO -0.04 1.03 0.20 0.37 -1.08 0.00 0.00 179.45 179.92 1dps h GLN 49 N 0.43 0.37 -0.06 3.15 5.75 -0.84 -1.01 115.11 122.90 1dps h GLN 49 Ca -0.01 -0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.44 1dps h GLN 49 Cb 1.19 -0.08 -0.00 0.00 1.07 0.00 0.00 27.48 29.66 1dps h GLN 49 CO 0.12 0.25 -0.08 0.00 -2.65 0.00 0.00 178.83 176.47 1dps h ALA 50 N 1.31 0.09 -0.85 3.38 0.00 -1.28 -3.16 119.26 118.75 1dps h ALA 50 Ca 0.23 -0.30 0.06 0.00 0.00 0.00 0.00 54.91 54.90 1dps h ALA 50 Cb 0.22 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 1dps h ALA 50 CO -0.22 -0.08 0.55 1.25 0.00 0.00 0.00 179.25 180.75 1dps h HIS 51 N -0.31 0.97 -0.16 0.00 -0.00 -0.93 -2.43 115.15 112.29 1dps h HIS 51 Ca 0.01 0.02 -0.17 0.00 -0.00 0.00 0.00 60.37 60.23 1dps h HIS 51 Cb 0.62 -0.32 -0.00 0.00 -0.00 0.00 0.00 27.41 27.70 1dps h HIS 51 CO 0.10 0.52 -0.61 -1.49 -0.00 0.00 0.00 177.93 176.45 1dps h TRP 52 N 0.96 0.68 -0.60 5.26 6.55 -1.29 -3.35 115.95 124.17 1dps h TRP 52 Ca 0.36 -0.26 0.00 0.00 0.95 0.00 0.00 58.89 59.94 1dps h TRP 52 Cb 0.19 -0.12 0.00 0.00 -0.86 0.00 0.00 29.16 28.37 1dps h TRP 52 CO -0.00 1.00 0.00 0.09 -1.05 0.00 0.00 178.44 178.48 1dps n ASN 53 N -3.93 4.71 -4.94 -3.49 3.02 -0.95 -4.99 115.26 104.70 1dps n ASN 53 Ca -0.04 -2.52 -0.26 0.00 -0.03 0.00 0.00 54.58 51.73 1dps n ASN 53 Cb 0.64 -0.57 -0.03 0.00 -0.61 0.00 0.00 39.78 39.21 1dps n ASN 53 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1dps s MET 54 N -1.97 3.41 -0.01 3.52 0.23 -1.00 -4.38 119.30 119.10 1dps s MET 54 Ca 0.49 -0.61 -0.29 0.00 -1.03 0.00 0.00 55.69 54.26 1dps s MET 54 Cb 0.33 -2.95 0.08 0.00 -1.53 0.00 0.00 34.83 30.76 1dps s MET 54 CO 0.22 0.52 0.71 -0.98 -2.03 0.00 0.00 175.02 173.46 1dps s ARG 55 N -3.22 1.04 0.00 3.16 1.70 -0.30 -4.95 118.95 116.39 1dps s ARG 55 Ca 0.34 0.03 0.00 0.00 -0.47 0.00 0.00 55.73 55.64 1dps s ARG 55 Cb -0.11 0.49 0.00 0.00 -0.57 0.00 0.00 34.95 34.76 1dps s ARG 55 CO 0.28 -0.37 0.00 0.41 -1.08 0.00 0.00 175.30 174.54 1dps n GLY 56 N 0.50 0.49 3.63 3.88 0.00 -1.26 -1.75 105.19 110.68 1dps n GLY 56 Ca -0.17 -2.21 -0.46 0.00 0.00 0.00 0.00 46.02 43.18 1dps n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dps n ALA 57 N -1.00 0.31 -1.99 4.61 0.00 -1.26 -2.35 120.51 118.83 1dps n ALA 57 Ca 0.00 0.42 -0.16 0.00 0.00 0.00 0.00 53.44 53.71 1dps n ALA 57 Cb 0.00 -2.16 -0.03 0.00 0.00 0.00 0.00 19.45 17.26 1dps n ALA 57 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1dps n ASN 58 N 1.92 -4.74 0.44 0.00 5.15 -1.26 -4.79 115.26 111.98 1dps n ASN 58 Ca 0.12 0.13 -0.19 0.00 -0.60 0.00 0.00 54.58 54.04 1dps n ASN 58 Cb 0.29 -3.78 -0.09 0.00 -0.53 0.00 0.00 39.78 35.67 1dps n ASN 58 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 1dps h PHE 59 N 0.00 -1.11 -0.28 1.20 3.57 -1.85 -2.96 116.94 115.51 1dps h PHE 59 Ca -0.35 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.16 1dps h PHE 59 Cb 1.18 0.38 -0.03 0.00 2.79 0.00 0.00 35.95 40.26 1dps h PHE 59 CO 0.42 -0.67 0.07 0.97 -2.23 0.00 0.00 178.31 176.88 1dps h ILE 60 N -1.13 0.89 -0.64 1.41 6.09 -1.93 0.12 117.51 122.32 1dps h ILE 60 Ca -0.11 -0.06 -0.07 0.00 -1.37 0.00 0.00 64.86 63.25 1dps h ILE 60 Cb 0.88 0.69 -0.03 0.00 0.47 0.00 0.00 36.82 38.84 1dps h ILE 60 CO 0.16 0.03 0.13 0.00 -3.07 0.00 0.00 178.15 175.40 1dps h ALA 61 N 1.20 0.85 -0.34 0.18 0.00 -2.00 -1.02 119.26 118.13 1dps h ALA 61 Ca 0.13 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 1dps h ALA 61 Cb 0.12 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1dps h ALA 61 CO -0.15 0.59 -0.15 0.28 0.00 0.00 0.00 179.25 179.82 1dps h VAL 62 N 0.97 1.29 -0.25 0.00 2.07 -1.33 0.11 116.25 119.12 1dps h VAL 62 Ca 0.20 -1.25 0.04 0.00 0.82 0.00 0.00 66.70 66.51 1dps h VAL 62 Cb 0.40 1.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.52 1dps h VAL 62 CO 0.01 0.41 -0.01 -0.74 0.02 0.00 0.00 177.57 177.25 1dps h HIS 63 N 0.47 -0.03 -0.46 1.57 6.17 -0.57 -0.98 115.15 121.32 1dps h HIS 63 Ca 0.08 0.02 -0.14 0.00 0.71 0.00 0.00 60.37 61.03 1dps h HIS 63 Cb 0.68 0.05 -0.01 0.00 2.52 0.00 0.00 27.41 30.65 1dps h HIS 63 CO 0.06 -0.05 -0.27 0.93 0.71 0.00 0.00 177.93 179.31 1dps h GLU 64 N 0.06 0.99 -0.61 5.26 5.08 -1.14 -2.81 114.58 121.40 1dps h GLU 64 Ca 0.12 -0.45 0.05 0.00 -1.00 0.00 0.00 59.36 58.07 1dps h GLU 64 Cb 0.16 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 1dps h GLU 64 CO -0.21 1.12 0.34 1.98 -1.00 0.00 0.00 179.01 181.25 1dps h MET 65 N 0.84 0.63 -0.26 2.33 4.05 -0.55 -2.28 114.93 119.69 1dps h MET 65 Ca 0.10 -0.04 -0.07 0.00 -0.28 0.00 0.00 59.70 59.41 1dps h MET 65 Cb 0.85 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 31.50 1dps h MET 65 CO 0.08 0.42 -0.15 -0.07 0.23 0.00 0.00 176.91 177.41 1dps h LEU 66 N 0.65 0.44 -0.80 3.39 3.38 -1.08 -2.42 115.31 118.86 1dps h LEU 66 Ca 0.27 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1dps h LEU 66 Cb 0.13 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1dps h LEU 66 CO -0.16 0.62 0.42 -0.78 0.09 0.00 0.00 178.44 178.63 1dps h ASP 67 N 0.41 1.02 -0.57 -0.43 3.58 -1.16 -1.57 116.42 117.70 1dps h ASP 67 Ca 0.08 -0.11 -0.07 0.00 0.42 0.00 0.00 57.03 57.34 1dps h ASP 67 Cb 0.51 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 41.27 1dps h ASP 67 CO 0.03 0.85 0.10 1.23 -2.88 0.00 0.00 179.24 178.57 1dps h GLY 68 N 1.12 1.06 1.00 -0.78 0.00 -1.12 -2.77 103.07 101.58 1dps h GLY 68 Ca 0.28 -0.67 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 1dps h GLY 68 CO -0.04 0.63 0.38 0.74 0.00 0.00 0.00 176.54 178.25 1dps h PHE 69 N 0.93 0.91 -0.62 5.60 0.04 -0.95 -2.60 116.94 120.25 1dps h PHE 69 Ca 0.19 -0.02 0.06 0.00 2.80 0.00 0.00 57.97 61.00 1dps h PHE 69 Cb 0.40 -0.29 -0.05 0.00 2.20 0.00 0.00 35.95 38.20 1dps h PHE 69 CO 0.03 0.64 0.32 -0.09 -0.60 0.00 0.00 178.31 178.61 1dps h ARG 70 N 0.92 0.58 -0.27 1.51 1.12 -1.03 -0.91 114.38 116.29 1dps h ARG 70 Ca 0.24 -0.04 0.03 0.00 -1.11 0.00 0.00 59.98 59.10 1dps h ARG 70 Cb 0.02 -0.13 -0.03 0.00 -0.01 0.00 0.00 29.97 29.82 1dps h ARG 70 CO -0.04 0.39 0.10 1.15 -3.11 0.00 0.00 179.97 178.46 1dps h THR 71 N 0.60 0.94 -0.74 0.20 2.02 -1.32 -1.43 112.91 113.19 1dps h THR 71 Ca 0.28 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.36 1dps h THR 71 Cb 0.20 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.27 1dps h THR 71 CO -0.19 0.04 0.38 0.00 0.37 0.00 0.00 175.52 176.12 1dps h ALA 72 N 1.16 0.95 -0.50 6.16 0.00 -1.08 -2.32 119.26 123.63 1dps h ALA 72 Ca 0.12 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1dps h ALA 72 Cb 0.08 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1dps h ALA 72 CO -0.11 0.49 0.19 -0.07 0.00 0.00 0.00 179.25 179.75 1dps h LEU 73 N 1.03 0.71 -1.15 0.00 3.38 -0.83 -1.63 115.31 116.81 1dps h LEU 73 Ca 0.26 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 1dps h LEU 73 Cb 0.08 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1dps h LEU 73 CO -0.04 0.70 -0.41 0.16 0.09 0.00 0.00 178.44 178.94 1dps h ILE 74 N 0.68 1.30 -0.39 1.22 3.07 -1.05 -1.45 117.51 120.89 1dps h ILE 74 Ca 0.17 -1.43 -0.15 0.00 1.55 0.00 0.00 64.86 65.00 1dps h ILE 74 Cb 0.22 1.76 -0.01 0.00 -0.27 0.00 0.00 36.82 38.52 1dps h ILE 74 CO -0.01 0.41 -0.33 0.44 -1.05 0.00 0.00 178.15 177.61 1dps h ASP 75 N 0.02 0.96 -0.18 2.16 3.32 -1.08 -2.07 116.42 119.55 1dps h ASP 75 Ca -0.00 -0.45 -0.03 0.00 0.02 0.00 0.00 57.03 56.57 1dps h ASP 75 Cb 0.74 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 1dps h ASP 75 CO 0.05 1.21 -0.01 0.45 -1.72 0.00 0.00 179.24 179.23 1dps h HIS 76 N 0.73 0.34 -0.11 4.55 3.86 -1.08 -2.30 115.15 121.14 1dps h HIS 76 Ca 0.07 -0.06 -0.06 0.00 -1.16 0.00 0.00 60.37 59.15 1dps h HIS 76 Cb 0.91 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 29.28 1dps h HIS 76 CO 0.06 0.53 -0.22 1.37 0.86 0.00 0.00 177.93 180.53 1dps h LEU 77 N 0.06 0.18 -0.44 2.43 8.10 -1.27 -1.35 115.31 123.02 1dps h LEU 77 Ca 0.05 -0.05 -0.08 0.00 0.11 0.00 0.00 57.88 57.91 1dps h LEU 77 Cb 0.40 -0.05 -0.01 0.00 -0.44 0.00 0.00 40.66 40.55 1dps h LEU 77 CO 0.01 0.42 -0.05 0.44 -4.11 0.00 0.00 178.44 175.15 1dps h ASP 78 N 0.18 0.81 -0.93 0.17 3.32 -1.29 -0.12 116.42 118.56 1dps h ASP 78 Ca 0.03 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 56.75 1dps h ASP 78 Cb 0.50 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.79 1dps h ASP 78 CO 0.03 0.95 0.59 0.74 -1.72 0.00 0.00 179.24 179.84 1dps h THR 79 N 0.65 1.24 -0.39 0.35 2.02 -0.79 -0.39 112.91 115.60 1dps h THR 79 Ca 0.12 -0.48 -0.10 0.00 0.77 0.00 0.00 66.41 66.72 1dps h THR 79 Cb 0.57 -0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 1dps h THR 79 CO 0.03 0.24 -0.14 0.24 0.37 0.00 0.00 175.52 176.27 1dps h MET 80 N 1.26 0.78 -0.46 6.66 2.86 -0.95 -2.06 114.93 123.02 1dps h MET 80 Ca 0.34 -0.32 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1dps h MET 80 Cb -0.11 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.49 1dps h MET 80 CO -0.07 0.94 0.22 0.00 1.06 0.00 0.00 176.91 179.05 1dps h ALA 81 N 0.82 0.59 -0.84 6.32 0.00 -0.74 -2.00 119.26 123.40 1dps h ALA 81 Ca 0.09 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1dps h ALA 81 Cb 0.67 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1dps h ALA 81 CO 0.05 0.16 0.54 0.93 0.00 0.00 0.00 179.25 180.93 1dps h GLU 82 N 0.60 1.12 -0.74 0.00 5.08 -1.02 -2.16 114.58 117.46 1dps h GLU 82 Ca 0.16 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 1dps h GLU 82 Cb 0.13 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 1dps h GLU 82 CO -0.02 0.76 0.35 -0.09 -1.00 0.00 0.00 179.01 179.01 1dps h ARG 83 N 1.15 1.07 -0.31 2.33 9.65 -1.11 -0.77 114.38 126.39 1dps h ARG 83 Ca 0.31 -0.16 0.03 0.00 -1.10 0.00 0.00 59.98 59.06 1dps h ARG 83 Cb -0.10 -0.19 -0.03 0.00 -1.39 0.00 0.00 29.97 28.25 1dps h ARG 83 CO -0.06 0.84 0.11 0.00 2.80 0.00 0.00 179.97 183.66 1dps h ALA 84 N 1.17 0.35 0.00 2.80 0.00 -0.97 -2.18 119.26 120.43 1dps h ALA 84 Ca 0.25 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.07 1dps h ALA 84 Cb 0.13 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1dps h ALA 84 CO -0.03 -0.29 -0.59 -0.39 0.00 0.00 0.00 179.25 177.95 1dps h VAL 85 N 0.25 1.36 -0.03 0.00 -1.51 -1.14 -1.48 116.25 113.70 1dps h VAL 85 Ca 0.14 -2.07 -0.04 0.00 -1.23 0.00 0.00 66.70 63.49 1dps h VAL 85 Cb 0.10 2.14 -0.01 0.00 -2.13 0.00 0.00 31.29 31.39 1dps h VAL 85 CO -0.14 0.58 -0.18 1.56 -1.23 0.00 0.00 177.57 178.17 1dps h GLN 86 N 0.00 0.04 -0.26 5.19 4.20 -0.75 -1.66 115.11 121.86 1dps h GLN 86 Ca -0.01 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1dps h GLN 86 Cb 1.09 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.86 1dps h GLN 86 CO 0.08 0.22 0.00 1.28 -0.67 0.00 0.00 178.83 179.74 1dps n LEU 87 N -4.31 1.38 0.00 1.46 4.77 -0.85 -4.90 117.00 114.54 1dps n LEU 87 Ca -0.02 -0.69 0.00 0.00 -0.03 0.00 0.00 56.01 55.27 1dps n LEU 87 Cb 0.25 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1dps n LEU 87 CO 0.37 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.38 1dps n GLY 88 N 0.91 0.73 4.01 -0.72 0.00 -0.62 -4.84 105.19 104.65 1dps n GLY 88 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 1dps n GLY 88 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1dps s GLY 89 N -1.89 1.74 -0.23 -0.02 0.00 -0.60 -0.70 107.32 105.63 1dps s GLY 89 Ca 0.00 -1.91 -0.05 0.00 0.00 0.00 0.00 44.72 42.76 1dps s GLY 89 CO 0.00 -1.32 -0.02 0.14 0.00 0.00 0.00 173.10 171.90 1dps s VAL 90 N -3.09 3.57 0.12 1.40 1.01 -1.26 -4.22 120.40 117.93 1dps s VAL 90 Ca 0.67 -0.43 -0.30 0.00 0.00 0.00 0.00 61.98 61.92 1dps s VAL 90 Cb -0.04 -2.63 -0.06 0.00 0.00 0.00 0.00 36.38 33.64 1dps s VAL 90 CO 0.44 0.41 1.11 0.00 0.00 0.00 0.00 175.10 177.06 1dps s ALA 91 N 1.50 3.35 -0.24 5.51 0.00 -1.26 -4.96 121.76 125.66 1dps s ALA 91 Ca 0.06 0.79 -0.02 0.00 0.00 0.00 0.00 51.96 52.78 1dps s ALA 91 Cb -0.14 -3.38 0.02 0.00 0.00 0.00 0.00 23.12 19.62 1dps s ALA 91 CO -0.02 -0.27 -0.06 -0.51 0.00 0.00 0.00 175.76 174.90 1dps s LEU 92 N 0.23 3.07 0.00 0.00 1.43 -1.26 -4.96 118.68 117.19 1dps s LEU 92 Ca 0.52 -0.76 0.16 0.00 -1.03 0.00 0.00 54.13 53.03 1dps s LEU 92 Cb -0.28 -1.67 0.27 0.00 0.03 0.00 0.00 46.19 44.53 1dps s LEU 92 CO 0.32 -0.10 1.09 0.61 0.23 0.00 0.00 176.35 178.50 1dps n GLY 93 N 4.70 0.83 3.88 -3.19 0.00 -1.26 -4.56 105.19 105.58 1dps n GLY 93 Ca -0.17 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.03 1dps n GLY 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1dps s THR 94 N 0.00 4.79 0.28 2.61 -4.23 -1.26 -4.93 115.64 112.90 1dps s THR 94 Ca 0.21 0.58 0.01 0.00 -1.18 0.00 0.00 61.69 61.30 1dps s THR 94 Cb 0.24 -3.79 0.28 0.00 1.34 0.00 0.00 72.50 70.57 1dps s THR 94 CO -0.11 -0.73 1.84 0.74 -0.54 0.00 0.00 174.62 175.82 1dps h THR 95 N 0.60 0.94 -0.54 3.99 2.02 -1.99 -1.32 112.91 116.60 1dps h THR 95 Ca -0.47 -0.34 -0.03 0.00 0.77 0.00 0.00 66.41 66.34 1dps h THR 95 Cb 1.19 -0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 1dps h THR 95 CO 0.63 0.18 0.23 1.56 0.37 0.00 0.00 175.52 178.49 1dps h GLN 96 N 1.00 0.80 -0.24 6.66 7.50 -1.99 -0.38 115.11 128.47 1dps h GLN 96 Ca 0.49 -0.14 -0.07 0.00 0.50 0.00 0.00 58.65 59.43 1dps h GLN 96 Cb 0.45 -0.14 -0.01 0.00 0.05 0.00 0.00 27.48 27.84 1dps h GLN 96 CO -0.26 0.69 -0.12 0.28 -1.50 0.00 0.00 178.83 177.92 1dps h VAL 97 N 0.74 1.30 -0.20 -0.54 2.07 -1.85 -2.38 116.25 115.39 1dps h VAL 97 Ca 0.18 -1.20 -0.00 0.00 0.82 0.00 0.00 66.70 66.50 1dps h VAL 97 Cb 0.17 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1dps h VAL 97 CO -0.02 0.37 0.11 0.40 0.02 0.00 0.00 177.57 178.46 1dps h ILE 98 N 0.23 1.10 -0.80 4.57 2.04 -1.13 -0.03 117.51 123.48 1dps h ILE 98 Ca 0.05 -0.26 0.03 0.00 1.00 0.00 0.00 64.86 65.69 1dps h ILE 98 Cb 0.62 0.90 -0.05 0.00 -0.74 0.00 0.00 36.82 37.56 1dps h ILE 98 CO 0.04 0.09 0.51 -1.13 0.00 0.00 0.00 178.15 177.66 1dps h ASN 99 N 0.23 0.85 0.20 1.72 -0.73 -1.10 0.57 115.58 117.32 1dps h ASN 99 Ca 0.07 -0.00 -0.17 0.00 1.87 0.00 0.00 56.30 58.06 1dps h ASN 99 Cb 0.05 -0.19 -0.01 0.00 0.27 0.00 0.00 38.32 38.45 1dps h ASN 99 CO -0.01 0.58 -0.67 -1.28 -0.37 0.00 0.00 177.43 175.68 1dps h SER 100 N 0.99 0.50 0.00 1.15 0.87 -1.19 -3.38 113.55 112.50 1dps h SER 100 Ca 0.32 -0.31 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1dps h SER 100 Cb 0.02 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.83 1dps h SER 100 CO -0.12 1.03 -0.77 0.29 -0.53 0.00 0.00 176.83 176.74 1dps n LYS 101 N -3.87 2.52 -1.74 2.24 5.02 -0.05 -5.03 118.16 117.25 1dps n LYS 101 Ca -0.04 -0.02 -0.42 0.00 -2.02 0.00 0.00 58.31 55.81 1dps n LYS 101 Cb 0.67 -1.11 -0.01 0.00 -0.02 0.00 0.00 35.03 34.56 1dps n LYS 101 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1dps n THR 102 N -1.41 1.51 1.50 -0.18 5.66 0.17 -4.89 114.28 116.64 1dps n THR 102 Ca 0.01 -0.38 0.14 0.00 -3.05 0.00 0.00 64.05 60.78 1dps n THR 102 Cb 0.21 -1.84 0.54 0.00 -1.55 0.00 0.00 70.33 67.69 1dps n THR 102 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 1dps n PRO 103 N 1.29 1.48 -3.37 1.09 -0.04 -1.26 -4.90 135.00 129.28 1dps n PRO 103 Ca 0.06 -0.81 -0.38 0.00 -0.04 0.00 0.00 63.50 62.33 1dps n PRO 103 Cb 0.37 -1.48 -0.06 0.00 -0.04 0.00 0.00 33.50 32.28 1dps n PRO 103 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1dps s LEU 104 N -2.08 4.32 0.33 1.53 1.43 -1.26 -5.04 118.68 117.91 1dps s LEU 104 Ca 0.37 0.82 -0.29 0.00 -1.03 0.00 0.00 54.13 54.00 1dps s LEU 104 Cb 0.21 -2.64 -0.11 0.00 0.03 0.00 0.00 46.19 43.68 1dps s LEU 104 CO 0.37 0.08 1.40 -0.75 0.23 0.00 0.00 176.35 177.68 1dps s LYS 105 N 0.23 4.25 0.00 1.70 2.20 -1.26 -4.88 119.74 121.97 1dps s LYS 105 Ca 0.24 2.37 -0.38 0.00 -0.36 0.00 0.00 55.97 57.85 1dps s LYS 105 Cb -0.15 -3.04 -0.17 0.00 -1.51 0.00 0.00 37.83 32.96 1dps s LYS 105 CO 0.10 -0.36 1.37 0.45 -0.36 0.00 0.00 175.35 176.55 1dps n SER 106 N 0.97 1.52 -4.73 1.43 2.88 -1.26 -4.89 113.62 109.55 1dps n SER 106 Ca 0.02 1.12 -0.41 0.00 -1.33 0.00 0.00 58.87 58.26 1dps n SER 106 Cb 0.40 -1.14 -0.04 0.00 -0.75 0.00 0.00 64.21 62.69 1dps n SER 106 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 1dps s TYR 107 N 0.95 3.49 0.16 0.66 5.04 -1.26 -4.98 117.35 121.41 1dps s TYR 107 Ca 0.88 1.46 -0.31 0.00 -2.44 0.00 0.00 57.07 56.65 1dps s TYR 107 Cb -1.03 -3.37 -0.11 0.00 0.35 0.00 0.00 41.96 37.80 1dps s TYR 107 CO 0.52 -1.01 1.70 -1.25 -1.34 0.00 0.00 175.55 174.17 1dps s PRO 108 N -0.01 4.16 0.00 4.97 0.04 -1.26 -4.90 135.00 138.00 1dps s PRO 108 Ca 0.53 2.50 0.26 0.00 0.04 0.00 0.00 61.00 64.33 1dps s PRO 108 Cb -0.31 -3.30 0.66 0.00 0.04 0.00 0.00 34.50 31.58 1dps s PRO 108 CO 0.34 -0.74 1.51 1.28 0.04 0.00 0.00 177.00 179.44 1dps n LEU 109 N 4.65 1.53 -0.59 -3.56 4.77 -1.26 -4.30 117.00 118.24 1dps n LEU 109 Ca 0.16 -0.49 0.08 0.00 -0.03 0.00 0.00 56.01 55.73 1dps n LEU 109 Cb 0.38 -0.05 0.20 0.00 -2.33 0.00 0.00 43.42 41.61 1dps n LEU 109 CO 0.64 0.27 0.65 -0.90 -1.33 0.00 0.00 177.39 176.72 1dps n ASP 110 N -0.10 3.27 -4.85 -1.43 5.75 -1.26 -5.02 116.55 112.90 1dps n ASP 110 Ca 0.14 -2.90 -0.28 0.00 -0.01 0.00 0.00 54.79 51.75 1dps n ASP 110 Cb 0.40 -0.46 -0.05 0.00 -1.03 0.00 0.00 41.12 39.98 1dps n ASP 110 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 1dps s ILE 111 N -2.59 4.85 0.00 2.12 -4.36 -1.26 -5.03 121.20 114.93 1dps s ILE 111 Ca 0.35 -0.82 0.00 0.00 -0.26 0.00 0.00 60.65 59.93 1dps s ILE 111 Cb 0.29 -3.44 0.00 0.00 1.25 0.00 0.00 42.46 40.56 1dps s ILE 111 CO 0.07 -0.02 0.00 1.41 0.24 0.00 0.00 174.94 176.64 1dps n HIS 112 N -0.16 0.00 -1.68 1.37 8.25 -1.26 -4.81 115.22 116.93 1dps n HIS 112 Ca -0.08 0.00 -0.45 0.00 -0.26 0.00 0.00 57.72 56.94 1dps n HIS 112 Cb 0.53 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.61 1dps n HIS 112 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1dps n ASN 113 N -1.57 3.08 -0.28 0.41 5.15 -1.26 -1.15 115.26 119.64 1dps n ASN 113 Ca 0.00 1.11 0.10 0.00 -0.60 0.00 0.00 54.58 55.20 1dps n ASN 113 Cb 0.08 -1.45 0.26 0.00 -0.53 0.00 0.00 39.78 38.14 1dps n ASN 113 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 1dps h VAL 114 N 3.36 0.43 -0.28 3.44 2.07 -1.65 -0.60 116.25 123.02 1dps h VAL 114 Ca -0.45 -0.10 -0.07 0.00 0.82 0.00 0.00 66.70 66.90 1dps h VAL 114 Cb 1.26 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1dps h VAL 114 CO 0.83 0.05 -0.11 1.56 0.02 0.00 0.00 177.57 179.92 1dps h GLN 115 N 0.29 0.47 -0.24 1.57 1.08 -1.89 -0.39 115.11 116.00 1dps h GLN 115 Ca 0.51 -0.13 -0.07 0.00 -1.45 0.00 0.00 58.65 57.51 1dps h GLN 115 Cb 0.95 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.32 1dps h GLN 115 CO -0.57 0.58 -0.13 -0.44 -0.95 0.00 0.00 178.83 177.32 1dps h ASP 116 N 0.43 0.52 -0.66 1.46 3.32 -1.50 -2.42 116.42 117.58 1dps h ASP 116 Ca 0.08 -0.42 -0.03 0.00 0.02 0.00 0.00 57.03 56.68 1dps h ASP 116 Cb 0.46 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 1dps h ASP 116 CO 0.03 0.83 0.29 0.45 -1.72 0.00 0.00 179.24 179.11 1dps h HIS 117 N 0.21 0.97 -0.96 4.55 3.86 -1.08 -2.35 115.15 120.36 1dps h HIS 117 Ca 0.05 -0.06 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1dps h HIS 117 Cb 0.64 -0.30 -0.05 0.00 1.06 0.00 0.00 27.41 28.76 1dps h HIS 117 CO 0.06 0.75 0.59 -0.07 0.86 0.00 0.00 177.93 180.13 1dps h LEU 118 N 0.92 1.15 -0.35 2.43 3.38 -0.97 -0.09 115.31 121.78 1dps h LEU 118 Ca 0.22 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 58.07 1dps h LEU 118 Cb 0.17 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1dps h LEU 118 CO -0.02 0.87 -0.03 0.11 0.09 0.00 0.00 178.44 179.45 1dps h LYS 119 N 1.32 0.64 -0.63 1.13 1.57 -1.24 0.33 116.57 119.69 1dps h LYS 119 Ca 0.35 -0.22 -0.09 0.00 -1.87 0.00 0.00 60.65 58.82 1dps h LYS 119 Cb -0.08 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 1dps h LYS 119 CO -0.07 0.78 0.06 0.93 -0.57 0.00 0.00 179.45 180.58 1dps h GLU 120 N 0.44 1.07 -0.44 3.15 4.39 -1.17 -2.42 114.58 119.60 1dps h GLU 120 Ca 0.10 -0.31 -0.11 0.00 0.34 0.00 0.00 59.36 59.37 1dps h GLU 120 Cb 0.51 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 1dps h GLU 120 CO 0.02 1.02 -0.15 -0.07 -1.16 0.00 0.00 179.01 178.67 1dps h LEU 121 N 0.98 0.89 -0.79 1.33 3.38 -0.96 -2.79 115.31 117.35 1dps h LEU 121 Ca 0.19 -0.38 0.03 0.00 0.09 0.00 0.00 57.88 57.80 1dps h LEU 121 Cb 0.49 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 1dps h LEU 121 CO 0.02 1.07 0.51 0.00 0.09 0.00 0.00 178.44 180.13 1dps h ALA 122 N 0.85 1.04 -0.41 1.53 0.00 -0.77 0.32 119.26 121.82 1dps h ALA 122 Ca 0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1dps h ALA 122 Cb 0.70 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1dps h ALA 122 CO 0.05 0.33 0.23 -0.44 0.00 0.00 0.00 179.25 179.43 1dps h ASP 123 N 1.00 0.51 0.17 0.00 3.32 -1.39 -0.42 116.42 119.60 1dps h ASP 123 Ca 0.31 -0.08 -0.24 0.00 0.02 0.00 0.00 57.03 57.04 1dps h ASP 123 Cb -0.01 -0.13 0.01 0.00 0.22 0.00 0.00 39.33 39.42 1dps h ASP 123 CO -0.11 0.45 -0.96 0.03 -1.72 0.00 0.00 179.24 176.93 1dps h ARG 124 N 0.54 0.56 -0.65 3.56 3.08 -1.16 -2.42 114.38 117.88 1dps h ARG 124 Ca 0.15 -0.58 -0.04 0.00 0.07 0.00 0.00 59.98 59.57 1dps h ARG 124 Cb 0.04 0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 1dps h ARG 124 CO -0.02 1.20 0.23 1.88 -1.07 0.00 0.00 179.97 182.18 1dps h TYR 125 N 0.32 0.98 -0.65 3.04 -1.99 -0.32 -2.40 116.97 115.95 1dps h TYR 125 Ca -0.10 -0.07 -0.01 0.00 2.00 0.00 0.00 58.73 60.55 1dps h TYR 125 Cb 1.60 -0.29 -0.03 0.00 2.00 0.00 0.00 36.73 40.01 1dps h TYR 125 CO 0.08 0.77 0.35 0.00 -0.00 0.00 0.00 178.16 179.36 1dps h ALA 126 N 1.31 0.83 -0.39 3.88 0.00 -0.97 0.25 119.26 124.18 1dps h ALA 126 Ca 0.22 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1dps h ALA 126 Cb 0.23 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1dps h ALA 126 CO -0.01 0.35 0.20 0.82 0.00 0.00 0.00 179.25 180.61 1dps h ILE 127 N 0.89 1.00 -0.16 0.00 1.08 -1.03 -0.57 117.51 118.71 1dps h ILE 127 Ca 0.23 -0.14 -0.04 0.00 -0.39 0.00 0.00 64.86 64.51 1dps h ILE 127 Cb 0.05 0.55 -0.00 0.00 -3.07 0.00 0.00 36.82 34.34 1dps h ILE 127 CO -0.04 0.08 -0.07 0.58 -0.69 0.00 0.00 178.15 178.01 1dps h VAL 128 N 0.42 1.31 -0.19 1.67 2.07 -1.12 -2.23 116.25 118.17 1dps h VAL 128 Ca 0.16 -1.10 0.01 0.00 0.82 0.00 0.00 66.70 66.58 1dps h VAL 128 Cb 0.05 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1dps h VAL 128 CO -0.10 0.33 0.11 0.00 0.02 0.00 0.00 177.57 177.93 1dps h ALA 129 N 0.68 0.24 -0.37 1.67 0.00 -0.38 -0.60 119.26 120.50 1dps h ALA 129 Ca 0.04 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1dps h ALA 129 Cb 0.54 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1dps h ALA 129 CO 0.02 -0.30 -0.14 -0.91 0.00 0.00 0.00 179.25 177.93 1dps h ASN 130 N 0.24 0.66 -0.12 0.00 2.35 -1.16 -1.57 115.58 115.99 1dps h ASN 130 Ca 0.07 -0.20 -0.19 0.00 -0.55 0.00 0.00 56.30 55.44 1dps h ASN 130 Cb -0.01 -0.18 0.01 0.00 0.05 0.00 0.00 38.32 38.19 1dps h ASN 130 CO -0.03 0.82 -0.67 -0.78 -1.65 0.00 0.00 177.43 175.12 1dps h ASP 131 N 0.61 0.80 0.45 5.81 3.58 -1.16 -2.85 116.42 123.65 1dps h ASP 131 Ca 0.10 -0.65 -0.11 0.00 0.42 0.00 0.00 57.03 56.80 1dps h ASP 131 Cb 0.59 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.38 1dps h ASP 131 CO 0.04 1.32 -0.49 1.62 -2.88 0.00 0.00 179.24 178.85 1dps h VAL 132 N 0.34 1.35 -0.44 2.25 3.04 -1.05 -0.46 116.25 121.29 1dps h VAL 132 Ca -0.05 -1.69 -0.11 0.00 -1.01 0.00 0.00 66.70 63.84 1dps h VAL 132 Cb 1.31 1.89 -0.02 0.00 -2.01 0.00 0.00 31.29 32.46 1dps h VAL 132 CO 0.14 0.49 -0.17 -0.09 -1.01 0.00 0.00 177.57 176.93 1dps h ARG 133 N 0.04 0.84 -0.15 4.17 2.43 -1.29 -2.52 114.38 117.89 1dps h ARG 133 Ca -0.00 -0.32 -0.17 0.00 -0.81 0.00 0.00 59.98 58.69 1dps h ARG 133 Cb 0.88 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.37 1dps h ARG 133 CO 0.07 0.94 -0.59 -0.22 -1.51 0.00 0.00 179.97 178.66 1dps h LYS 134 N 0.74 0.51 -0.46 0.20 3.64 -1.23 -3.08 116.57 116.90 1dps h LYS 134 Ca 0.11 -0.34 0.02 0.00 -1.27 0.00 0.00 60.65 59.16 1dps h LYS 134 Cb 0.68 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.53 1dps h LYS 134 CO 0.05 0.96 0.30 0.00 -2.27 0.00 0.00 179.45 178.49 1dps h ALA 135 N 0.97 1.73 -0.60 5.00 0.00 -0.68 -2.52 119.26 123.16 1dps h ALA 135 Ca -0.00 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.96 1dps h ALA 135 Cb 1.14 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.70 1dps h ALA 135 CO 0.11 0.23 0.24 0.82 0.00 0.00 0.00 179.25 180.65 1dps h ILE 136 N 0.57 0.81 0.00 0.00 2.04 -1.37 -1.48 117.51 118.07 1dps h ILE 136 Ca 0.18 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 65.88 1dps h ILE 136 Cb 0.01 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 36.42 1dps h ILE 136 CO -0.04 0.08 -0.01 1.23 0.00 0.00 0.00 178.15 179.41 1dps h GLY 137 N 0.44 0.00 0.30 5.37 0.00 -1.59 -3.02 103.07 104.58 1dps h GLY 137 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.62 1dps h GLY 137 CO -0.28 0.00 -1.02 1.18 0.00 0.00 0.00 176.54 176.43 1dps n GLU 138 N -3.12 0.13 -2.46 4.80 1.02 -0.63 -4.87 120.64 115.51 1dps n GLU 138 Ca -0.00 -0.02 -0.41 0.00 -0.02 0.00 0.00 57.16 56.71 1dps n GLU 138 Cb 0.27 -1.52 -0.03 0.00 -0.02 0.00 0.00 31.44 30.13 1dps n GLU 138 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1dps s ALA 139 N -3.09 2.74 0.20 0.62 0.00 -0.80 -4.88 121.76 116.55 1dps s ALA 139 Ca 0.06 -1.03 0.20 0.00 0.00 0.00 0.00 51.96 51.19 1dps s ALA 139 Cb 0.16 -4.19 0.80 0.00 0.00 0.00 0.00 23.12 19.89 1dps s ALA 139 CO 0.83 -3.17 1.79 0.87 0.00 0.00 0.00 175.76 176.08 1dps h LYS 140 N 10.76 0.00 -6.35 0.00 1.79 -1.89 -3.42 116.57 117.46 1dps h LYS 140 Ca -0.27 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 57.63 1dps h LYS 140 Cb 1.07 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.67 1dps h LYS 140 CO 1.23 0.32 0.95 0.34 -1.08 0.00 0.00 179.45 181.21 1dps s ASP 141 N -6.40 6.72 0.21 0.86 2.15 -1.26 -4.92 116.67 114.04 1dps s ASP 141 Ca -0.00 1.17 -0.09 0.00 0.43 0.00 0.00 52.55 54.06 1dps s ASP 141 Cb 0.11 -2.54 0.28 0.00 -0.30 0.00 0.00 42.92 40.48 1dps s ASP 141 CO 0.67 -1.04 1.76 0.44 -0.17 0.00 0.00 175.17 176.83 1dps h ASP 142 N 9.05 0.33 -0.68 -0.34 3.32 -2.00 -0.91 116.42 125.19 1dps h ASP 142 Ca -0.25 0.07 0.01 0.00 0.02 0.00 0.00 57.03 56.88 1dps h ASP 142 Cb 1.09 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.62 1dps h ASP 142 CO 1.03 0.19 0.44 0.44 -1.72 0.00 0.00 179.24 179.63 1dps h ASP 143 N 0.49 0.76 -0.51 6.45 3.32 -1.96 -1.78 116.42 123.18 1dps h ASP 143 Ca 0.31 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.29 1dps h ASP 143 Cb 0.35 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1dps h ASP 143 CO -0.28 0.54 0.10 0.74 -1.72 0.00 0.00 179.24 178.63 1dps h THR 144 N 0.89 1.25 -0.77 0.35 2.02 -1.78 -1.91 112.91 112.96 1dps h THR 144 Ca 0.26 -0.90 0.05 0.00 0.77 0.00 0.00 66.41 66.59 1dps h THR 144 Cb -0.07 0.84 -0.05 0.00 -1.74 0.00 0.00 68.15 67.14 1dps h THR 144 CO -0.07 0.32 0.51 0.00 0.37 0.00 0.00 175.52 176.65 1dps h ALA 145 N 0.99 1.60 -0.23 6.16 0.00 -0.74 -0.69 119.26 126.34 1dps h ALA 145 Ca 0.16 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1dps h ALA 145 Cb 0.37 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1dps h ALA 145 CO 0.01 0.30 0.01 0.22 0.00 0.00 0.00 179.25 179.78 1dps h ASP 146 N 0.88 0.39 -0.61 0.00 3.58 -1.01 -0.96 116.42 118.69 1dps h ASP 146 Ca 0.32 -0.30 0.01 0.00 0.42 0.00 0.00 57.03 57.49 1dps h ASP 146 Cb 0.16 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.07 1dps h ASP 146 CO -0.10 0.59 0.40 0.40 -2.88 0.00 0.00 179.24 177.64 1dps h ILE 147 N 0.18 1.13 -0.21 2.25 2.04 -0.81 -1.95 117.51 120.14 1dps h ILE 147 Ca 0.07 -0.27 -0.06 0.00 1.00 0.00 0.00 64.86 65.59 1dps h ILE 147 Cb 0.38 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 1dps h ILE 147 CO 0.01 0.15 -0.15 -0.07 0.00 0.00 0.00 178.15 178.08 1dps h LEU 148 N 0.80 0.33 -0.35 1.44 3.38 -0.98 -2.17 115.31 117.76 1dps h LEU 148 Ca 0.23 -0.08 -0.16 0.00 0.09 0.00 0.00 57.88 57.96 1dps h LEU 148 Cb -0.05 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 1dps h LEU 148 CO -0.07 0.51 -0.42 0.74 0.09 0.00 0.00 178.44 179.29 1dps h THR 149 N 0.32 1.27 -0.68 0.22 2.02 -0.61 0.65 112.91 116.11 1dps h THR 149 Ca 0.06 -1.60 -0.05 0.00 0.77 0.00 0.00 66.41 65.59 1dps h THR 149 Cb 0.47 1.48 -0.03 0.00 -1.74 0.00 0.00 68.15 68.32 1dps h THR 149 CO 0.03 0.53 0.22 0.00 0.37 0.00 0.00 175.52 176.67 1dps h ALA 150 N 0.74 0.89 -0.38 6.16 0.00 -1.18 -1.13 119.26 124.35 1dps h ALA 150 Ca 0.05 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1dps h ALA 150 Cb 1.02 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1dps h ALA 150 CO 0.10 0.56 0.01 0.00 0.00 0.00 0.00 179.25 179.92 1dps h ALA 151 N 1.09 0.52 -0.64 0.00 0.00 -1.21 -2.90 119.26 116.13 1dps h ALA 151 Ca 0.22 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1dps h ALA 151 Cb 0.29 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1dps h ALA 151 CO -0.01 0.28 0.28 1.03 0.00 0.00 0.00 179.25 180.84 1dps h SER 152 N 0.50 0.85 -0.70 0.00 0.87 -0.70 -0.50 113.55 113.87 1dps h SER 152 Ca 0.11 -0.15 0.06 0.00 -1.23 0.00 0.00 61.79 60.58 1dps h SER 152 Cb 0.45 -0.22 -0.06 0.00 -0.44 0.00 0.00 62.40 62.14 1dps h SER 152 CO 0.02 0.77 0.40 0.03 -0.53 0.00 0.00 176.83 177.51 1dps h ARG 153 N 0.88 0.71 -0.08 2.24 3.08 -1.13 -0.69 114.38 119.39 1dps h ARG 153 Ca 0.22 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.19 1dps h ARG 153 Cb 0.16 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 1dps h ARG 153 CO -0.02 0.47 -0.06 -0.44 -1.07 0.00 0.00 179.97 178.85 1dps h ASP 154 N 0.73 0.20 -0.88 7.04 3.32 -1.24 -2.29 116.42 123.30 1dps h ASP 154 Ca 0.31 -0.45 0.10 0.00 0.02 0.00 0.00 57.03 57.01 1dps h ASP 154 Cb 0.19 -0.06 -0.08 0.00 0.22 0.00 0.00 39.33 39.61 1dps h ASP 154 CO -0.18 0.61 0.52 -0.07 -1.72 0.00 0.00 179.24 178.40 1dps h LEU 155 N -0.21 0.76 -0.76 1.55 -0.00 -0.90 0.45 115.31 116.20 1dps h LEU 155 Ca 0.02 0.05 -0.12 0.00 -0.00 0.00 0.00 57.88 57.82 1dps h LEU 155 Cb 0.55 -0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 41.09 1dps h LEU 155 CO 0.02 0.43 -0.38 0.44 -0.00 0.00 0.00 178.44 178.95 1dps h ASP 156 N 0.87 0.52 -0.25 -0.43 5.19 -1.10 0.37 116.42 121.59 1dps h ASP 156 Ca 0.42 -0.22 -0.04 0.00 -0.62 0.00 0.00 57.03 56.58 1dps h ASP 156 Cb 0.38 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.74 1dps h ASP 156 CO -0.25 0.85 0.01 0.50 -3.12 0.00 0.00 179.24 177.24 1dps h LYS 157 N 0.42 0.43 -0.54 3.56 3.64 -0.78 -1.99 116.57 121.30 1dps h LYS 157 Ca 0.04 -0.13 -0.04 0.00 -1.27 0.00 0.00 60.65 59.25 1dps h LYS 157 Cb 0.85 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.61 1dps h LYS 157 CO 0.07 0.60 0.18 0.74 -2.27 0.00 0.00 179.45 178.77 1dps h PHE 158 N 0.22 0.85 -0.46 1.91 0.04 -0.69 -0.63 116.94 118.19 1dps h PHE 158 Ca 0.07 -0.08 0.03 0.00 2.80 0.00 0.00 57.97 60.79 1dps h PHE 158 Cb 0.39 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 38.26 1dps h PHE 158 CO 0.03 0.72 0.26 1.25 -0.60 0.00 0.00 178.31 179.97 1dps h LEU 159 N 0.74 0.41 -0.15 1.54 5.85 -0.91 -1.26 115.31 121.53 1dps h LEU 159 Ca 0.18 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1dps h LEU 159 Cb 0.26 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1dps h LEU 159 CO -0.01 0.29 0.09 -0.25 -0.34 0.00 0.00 178.44 178.22 1dps h TRP 160 N 0.52 0.16 -0.95 1.25 7.01 -1.02 -0.47 115.95 122.46 1dps h TRP 160 Ca 0.19 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.22 1dps h TRP 160 Cb 0.05 -0.05 -0.05 0.00 -2.10 0.00 0.00 29.16 27.00 1dps h TRP 160 CO -0.08 0.10 0.63 0.74 -2.79 0.00 0.00 178.44 177.04 1dps h PHE 161 N 0.18 1.18 0.05 2.65 -1.00 -0.85 0.68 116.94 119.83 1dps h PHE 161 Ca 0.06 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.86 1dps h PHE 161 Cb -0.01 -0.40 0.00 0.00 3.61 0.00 0.00 35.95 39.16 1dps h PHE 161 CO -0.08 0.71 -0.03 0.82 -1.61 0.00 0.00 178.31 178.13 1dps h ILE 162 N 1.24 1.12 -0.59 -0.55 2.04 -0.99 -3.08 117.51 116.70 1dps h ILE 162 Ca 0.36 -0.58 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 1dps h ILE 162 Cb -0.07 1.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 1dps h ILE 162 CO -0.10 0.15 0.28 -0.33 0.00 0.00 0.00 178.15 178.15 1dps h GLU 163 N -0.33 0.83 0.00 2.37 5.08 -0.83 -2.28 114.58 119.42 1dps h GLU 163 Ca -0.01 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1dps h GLU 163 Cb 0.30 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1dps h GLU 163 CO 0.01 0.65 0.00 0.00 -1.00 0.00 0.00 179.01 178.67 1dps n ASN 165 N -2.62 1.29 -4.71 0.00 3.02 -0.86 -4.87 115.26 106.51 1dps n ASN 165 Ca 0.01 -1.08 -0.41 0.00 -0.03 0.00 0.00 54.58 53.06 1dps n ASN 165 Cb 0.21 0.19 -0.04 0.00 -0.61 0.00 0.00 39.78 39.53 1dps n ASN 165 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1dps s ILE 166 N -2.45 4.93 -2.00 2.41 1.01 -0.78 -5.02 121.20 119.30 1dps s ILE 166 Ca 0.24 1.79 0.20 0.00 0.00 0.00 0.00 60.65 62.89 1dps s ILE 166 Cb 0.19 -4.20 0.58 0.00 0.01 0.00 0.00 42.46 39.04 1dps s ILE 166 CO 0.51 0.16 1.61 -0.62 0.00 0.00 0.00 174.94 176.60