#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 3.85 0.36 2.23 1.43 -0.10 -5.02 118.68 121.43 1dps s LEU 15 Ca 0.00 1.68 -0.27 0.00 -1.03 0.00 0.00 54.13 54.51 1dps s LEU 15 Cb 0.00 -4.53 -0.09 0.00 0.03 0.00 0.00 46.19 41.60 1dps s LEU 15 CO 0.00 -0.46 1.20 -0.47 0.23 0.00 0.00 176.35 176.85 1dps s TYR 16 N -2.28 3.14 -0.08 0.29 5.04 -1.26 -4.53 117.35 117.66 1dps s TYR 16 Ca 0.62 1.54 -0.28 0.00 -2.44 0.00 0.00 57.07 56.51 1dps s TYR 16 Cb -0.10 -3.47 0.06 0.00 0.35 0.00 0.00 41.96 38.81 1dps s TYR 16 CO 0.18 -1.36 0.63 -0.08 -1.34 0.00 0.00 175.55 173.58 1dps s THR 17 N -1.28 0.01 -0.37 4.34 -1.32 -1.26 -4.99 115.64 110.76 1dps s THR 17 Ca 0.52 -0.06 0.26 0.00 -1.21 0.00 0.00 61.69 61.21 1dps s THR 17 Cb -0.34 -0.94 0.28 0.00 -1.51 0.00 0.00 72.50 69.99 1dps s THR 17 CO 0.43 -0.03 1.77 0.03 -2.21 0.00 0.00 174.62 174.61 1dps h ARG 18 N 3.48 0.00 -6.21 7.08 3.08 -1.96 -3.43 114.38 116.42 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 0.01 0.00 0.08 0.00 0.00 29.97 31.21 1dps h ARG 18 CO 0.34 0.00 1.22 -1.71 -1.07 0.00 0.00 179.97 178.75 1dps n ASN 19 N -2.41 3.42 -1.29 7.04 2.85 -1.26 -4.89 115.26 118.72 1dps n ASN 19 Ca 0.02 0.78 0.04 0.00 -0.11 0.00 0.00 54.58 55.31 1dps n ASN 19 Cb 0.25 -1.42 0.23 0.00 1.24 0.00 0.00 39.78 40.09 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 7.92 3.70 -4.76 1.20 5.75 -1.26 -4.92 116.55 124.18 1dps n ASP 20 Ca 0.25 -2.53 -0.41 0.00 -0.01 0.00 0.00 54.79 52.09 1dps n ASP 20 Cb 0.33 -0.60 -0.00 0.00 -1.03 0.00 0.00 41.12 39.81 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 0.36 1.91 -1.44 2.12 0.31 -1.26 -4.89 118.33 115.44 1dps n VAL 21 Ca 0.16 -0.48 -0.35 0.00 -0.01 0.00 0.00 64.34 63.66 1dps n VAL 21 Cb 0.79 -1.90 0.10 0.00 -0.91 0.00 0.00 33.84 31.92 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 0.66 1.56 -0.28 4.52 3.41 -1.26 -4.73 113.62 117.50 1dps n SER 22 Ca 0.03 0.72 0.03 0.00 -0.26 0.00 0.00 58.87 59.38 1dps n SER 22 Cb 0.38 -1.53 0.17 0.00 -0.26 0.00 0.00 64.21 62.97 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 -0.14 0.58 -0.31 4.04 5.19 -1.97 0.68 116.42 124.49 1dps h ASP 23 Ca -0.49 0.06 -0.00 0.00 -0.62 0.00 0.00 57.03 55.98 1dps h ASP 23 Cb 1.32 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 40.78 1dps h ASP 23 CO 0.50 0.31 0.18 -1.28 -3.12 0.00 0.00 179.24 175.83 1dps h SER 24 N 0.70 0.37 0.51 6.45 0.87 -2.00 -0.99 113.55 119.45 1dps h SER 24 Ca 0.40 -0.06 -0.13 0.00 -1.23 0.00 0.00 61.79 60.77 1dps h SER 24 Cb 0.43 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 1dps h SER 24 CO -0.28 0.32 -0.60 -0.08 -0.53 0.00 0.00 176.83 175.66 1dps h GLU 25 N 0.39 0.09 -0.05 2.24 4.81 -1.83 -1.92 114.58 118.32 1dps h GLU 25 Ca 0.11 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1dps h GLU 25 Cb 0.02 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 1dps h GLU 25 CO -0.02 0.66 0.02 0.87 -0.73 0.00 0.00 179.01 179.81 1dps h LYS 26 N 0.07 0.07 -0.61 1.92 1.57 -0.61 0.10 116.57 119.08 1dps h LYS 26 Ca -0.01 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1dps h LYS 26 Cb 1.07 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.35 1dps h LYS 26 CO 0.08 0.17 0.25 0.87 -0.57 0.00 0.00 179.45 180.26 1dps h LYS 27 N -0.05 0.90 -0.71 3.15 1.57 -1.09 -0.09 116.57 120.25 1dps h LYS 27 Ca 0.02 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.59 1dps h LYS 27 Cb 0.13 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 1dps h LYS 27 CO -0.00 0.76 0.25 0.00 -0.57 0.00 0.00 179.45 179.89 1dps h ALA 28 N 1.10 0.92 -0.38 3.86 0.00 -1.22 -1.96 119.26 121.58 1dps h ALA 28 Ca 0.20 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1dps h ALA 28 Cb 0.19 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1dps h ALA 28 CO -0.02 0.57 -0.27 1.15 0.00 0.00 0.00 179.25 180.69 1dps h THR 29 N 1.03 1.28 -0.50 0.00 2.02 -0.72 -2.10 112.91 113.92 1dps h THR 29 Ca 0.23 -1.43 0.00 0.00 0.77 0.00 0.00 66.41 65.99 1dps h THR 29 Cb 0.26 1.37 -0.02 0.00 -1.74 0.00 0.00 68.15 68.01 1dps h THR 29 CO -0.01 0.47 0.31 0.58 0.37 0.00 0.00 175.52 177.24 1dps h VAL 30 N 0.65 1.14 -0.64 3.16 2.07 -0.90 0.36 116.25 122.09 1dps h VAL 30 Ca 0.07 -0.30 -0.08 0.00 0.82 0.00 0.00 66.70 67.21 1dps h VAL 30 Cb 0.84 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 1dps h VAL 30 CO 0.07 0.14 0.08 -0.33 0.02 0.00 0.00 177.57 177.56 1dps h GLU 31 N 0.67 1.07 -0.04 1.57 4.39 -1.28 -0.64 114.58 120.32 1dps h GLU 31 Ca 0.18 -0.29 -0.00 0.00 0.34 0.00 0.00 59.36 59.58 1dps h GLU 31 Cb -0.03 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.49 1dps h GLU 31 CO -0.04 1.00 0.02 1.25 -1.16 0.00 0.00 179.01 180.08 1dps h LEU 32 N 1.00 0.05 -0.38 1.33 6.46 -1.01 -2.56 115.31 120.20 1dps h LEU 32 Ca 0.19 -0.12 -0.01 0.00 -0.12 0.00 0.00 57.88 57.83 1dps h LEU 32 Cb 0.46 -0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.36 1dps h LEU 32 CO 0.02 0.16 0.22 -0.07 -0.62 0.00 0.00 178.44 178.14 1dps h LEU 33 N -0.06 0.46 -1.58 2.25 3.38 -0.72 -2.78 115.31 116.26 1dps h LEU 33 Ca 0.01 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1dps h LEU 33 Cb 0.12 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1dps h LEU 33 CO -0.00 0.40 0.21 0.78 0.09 0.00 0.00 178.44 179.92 1dps h ASN 34 N 0.49 0.43 -0.58 -0.43 2.35 -1.08 0.96 115.58 117.72 1dps h ASN 34 Ca 0.13 -0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.82 1dps h ASN 34 Cb 0.03 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 1dps h ASN 34 CO -0.02 0.34 0.20 0.03 -1.65 0.00 0.00 177.43 176.33 1dps h ARG 35 N 0.50 0.88 -0.25 0.81 3.08 -1.20 -1.77 114.38 116.44 1dps h ARG 35 Ca 0.13 -0.18 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 1dps h ARG 35 Cb -0.01 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 1dps h ARG 35 CO -0.02 0.78 -0.07 1.96 -1.07 0.00 0.00 179.97 181.55 1dps h GLN 36 N 0.81 0.49 -0.66 0.04 1.08 -1.05 -2.94 115.11 112.88 1dps h GLN 36 Ca 0.19 -0.19 0.08 0.00 -1.45 0.00 0.00 58.65 57.28 1dps h GLN 36 Cb 0.25 -0.03 -0.07 0.00 -0.05 0.00 0.00 27.48 27.59 1dps h GLN 36 CO -0.01 0.72 0.32 0.28 -0.95 0.00 0.00 178.83 179.19 1dps h VAL 37 N 0.23 0.86 0.09 -0.54 2.07 -0.70 -0.25 116.25 118.01 1dps h VAL 37 Ca 0.06 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.40 1dps h VAL 37 Cb 0.55 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1dps h VAL 37 CO 0.03 0.10 -0.11 0.40 0.02 0.00 0.00 177.57 178.01 1dps h ILE 38 N 0.56 0.73 0.00 4.57 2.04 -1.26 -0.68 117.51 123.48 1dps h ILE 38 Ca 0.32 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 66.04 1dps h ILE 38 Cb 0.31 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 1dps h ILE 38 CO -0.25 0.00 -0.65 0.06 0.00 0.00 0.00 178.15 177.31 1dps h GLN 39 N -0.24 0.00 -0.42 2.37 3.07 -1.31 -1.55 115.11 117.02 1dps h GLN 39 Ca 0.01 0.00 -0.12 0.00 0.09 0.00 0.00 58.65 58.63 1dps h GLN 39 Cb 0.24 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.79 1dps h GLN 39 CO -0.05 0.65 -0.21 0.74 0.09 0.00 0.00 178.83 180.05 1dps h PHE 40 N 0.00 1.03 -0.27 0.06 -1.00 -0.91 0.01 116.94 115.85 1dps h PHE 40 Ca -0.01 -0.26 -0.04 0.00 2.81 0.00 0.00 57.97 60.48 1dps h PHE 40 Cb 1.18 -0.24 -0.01 0.00 3.61 0.00 0.00 35.95 40.50 1dps h PHE 40 CO 0.00 1.04 0.03 0.82 -1.61 0.00 0.00 178.31 178.60 1dps h ILE 41 N 0.72 1.24 -0.77 -0.55 2.04 -1.00 -1.27 117.51 117.91 1dps h ILE 41 Ca 0.09 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 65.13 1dps h ILE 41 Cb 0.78 1.25 -0.04 0.00 -0.74 0.00 0.00 36.82 38.07 1dps h ILE 41 CO 0.06 0.26 0.49 -0.78 0.00 0.00 0.00 178.15 178.19 1dps h ASP 42 N 0.27 0.91 -0.41 1.72 3.58 -1.21 -1.71 116.42 119.56 1dps h ASP 42 Ca 0.08 -0.05 -0.05 0.00 0.42 0.00 0.00 57.03 57.44 1dps h ASP 42 Cb 0.36 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.16 1dps h ASP 42 CO 0.01 0.69 0.11 0.25 -2.88 0.00 0.00 179.24 177.41 1dps h LEU 43 N 1.06 0.68 -0.90 2.28 5.85 -0.85 -1.17 115.31 122.25 1dps h LEU 43 Ca 0.28 -0.12 -0.11 0.00 0.84 0.00 0.00 57.88 58.78 1dps h LEU 43 Cb -0.08 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 1dps h LEU 43 CO -0.06 0.68 -0.35 0.77 -0.34 0.00 0.00 178.44 179.15 1dps h SER 44 N 0.71 0.40 -0.28 1.25 4.64 -0.39 -0.06 113.55 119.82 1dps h SER 44 Ca 0.16 -0.15 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 1dps h SER 44 Cb 0.28 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1dps h SER 44 CO -0.00 0.72 -0.26 -0.07 -0.87 0.00 0.00 176.83 176.35 1dps h LEU 45 N 0.33 0.70 -1.11 5.97 3.38 -0.79 -2.98 115.31 120.82 1dps h LEU 45 Ca 0.04 -0.47 -0.06 0.00 0.09 0.00 0.00 57.88 57.48 1dps h LEU 45 Cb 0.77 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1dps h LEU 45 CO 0.06 1.02 -0.04 0.40 0.09 0.00 0.00 178.44 179.97 1dps h ILE 46 N 0.39 1.22 -0.64 1.22 2.04 -1.02 -1.40 117.51 119.32 1dps h ILE 46 Ca 0.05 -0.91 -0.01 0.00 1.00 0.00 0.00 64.86 64.98 1dps h ILE 46 Cb 0.82 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.86 1dps h ILE 46 CO 0.06 0.31 0.36 0.74 0.00 0.00 0.00 178.15 179.62 1dps h THR 47 N 0.55 1.20 -0.11 -0.27 2.02 -0.96 -1.80 112.91 113.54 1dps h THR 47 Ca 0.11 -0.49 -0.21 0.00 0.77 0.00 0.00 66.41 66.59 1dps h THR 47 Cb 0.41 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1dps h THR 47 CO 0.02 0.22 -0.77 0.11 0.37 0.00 0.00 175.52 175.47 1dps h LYS 48 N 0.87 0.61 -0.66 6.66 1.79 -1.36 -2.02 116.57 122.47 1dps h LYS 48 Ca 0.23 -0.51 0.06 0.00 -2.18 0.00 0.00 60.65 58.25 1dps h LYS 48 Cb 0.03 0.11 -0.05 0.00 -1.58 0.00 0.00 32.23 30.73 1dps h LYS 48 CO -0.04 1.13 0.36 0.37 -1.08 0.00 0.00 179.45 180.20 1dps h GLN 49 N 0.42 0.65 -0.07 3.15 5.75 -0.99 -0.94 115.11 123.08 1dps h GLN 49 Ca -0.05 -0.04 -0.04 0.00 -0.15 0.00 0.00 58.65 58.37 1dps h GLN 49 Cb 1.38 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 29.78 1dps h GLN 49 CO 0.15 0.43 -0.12 0.00 -2.65 0.00 0.00 178.83 176.64 1dps h ALA 50 N 1.34 0.11 -0.99 3.38 0.00 -1.32 -3.16 119.26 118.62 1dps h ALA 50 Ca 0.29 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1dps h ALA 50 Cb 0.18 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 1dps h ALA 50 CO -0.18 -0.01 0.65 1.25 0.00 0.00 0.00 179.25 180.96 1dps h HIS 51 N -0.27 1.22 -0.27 0.00 -0.00 -1.08 -2.62 115.15 112.13 1dps h HIS 51 Ca 0.00 0.03 -0.15 0.00 -0.00 0.00 0.00 60.37 60.26 1dps h HIS 51 Cb 0.70 -0.41 -0.01 0.00 -0.00 0.00 0.00 27.41 27.69 1dps h HIS 51 CO 0.11 0.72 -0.44 -1.49 -0.00 0.00 0.00 177.93 176.83 1dps h TRP 52 N 1.27 0.81 -0.59 5.26 6.55 -1.27 -3.34 115.95 124.65 1dps h TRP 52 Ca 0.39 -0.25 0.00 0.00 0.95 0.00 0.00 58.89 59.98 1dps h TRP 52 Cb -0.03 -0.17 0.00 0.00 -0.86 0.00 0.00 29.16 28.10 1dps h TRP 52 CO -0.00 0.99 0.00 0.09 -1.05 0.00 0.00 178.44 178.47 1dps n ASN 53 N -4.02 5.08 -4.92 -3.49 3.02 -1.02 -4.99 115.26 104.93 1dps n ASN 53 Ca -0.02 -2.68 -0.27 0.00 -0.03 0.00 0.00 54.58 51.58 1dps n ASN 53 Cb 0.55 -0.61 -0.04 0.00 -0.61 0.00 0.00 39.78 39.07 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 -2.28 3.36 0.04 3.52 0.23 -1.02 -4.40 119.30 118.75 1dps s MET 54 Ca 0.52 -0.62 -0.27 0.00 -1.03 0.00 0.00 55.69 54.28 1dps s MET 54 Cb 0.36 -2.93 0.07 0.00 -1.53 0.00 0.00 34.83 30.81 1dps s MET 54 CO 0.20 0.53 0.67 -0.98 -2.03 0.00 0.00 175.02 173.40 1dps s ARG 55 N -3.12 1.13 0.00 3.16 1.70 -0.15 -4.95 118.95 116.73 1dps s ARG 55 Ca 0.34 -0.09 0.00 0.00 -0.47 0.00 0.00 55.73 55.51 1dps s ARG 55 Cb -0.11 0.52 0.00 0.00 -0.57 0.00 0.00 34.95 34.79 1dps s ARG 55 CO 0.28 -0.43 0.00 0.41 -1.08 0.00 0.00 175.30 174.48 1dps n GLY 56 N 0.28 0.53 3.66 3.88 0.00 -1.26 -1.62 105.19 110.67 1dps n GLY 56 Ca -0.17 -2.24 -0.44 0.00 0.00 0.00 0.00 46.02 43.17 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 0.83 -2.18 4.61 0.00 -1.26 -2.38 120.51 119.14 1dps n ALA 57 Ca 0.00 0.39 -0.19 0.00 0.00 0.00 0.00 53.44 53.65 1dps n ALA 57 Cb 0.00 -2.21 -0.02 0.00 0.00 0.00 0.00 19.45 17.22 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 1.47 -5.38 0.46 0.00 5.15 -1.26 -4.79 115.26 110.92 1dps n ASN 58 Ca 0.09 0.09 -0.20 0.00 -0.60 0.00 0.00 54.58 53.96 1dps n ASN 58 Cb 0.33 -4.45 -0.10 0.00 -0.53 0.00 0.00 39.78 35.03 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 -1.15 -0.42 1.20 3.57 -1.85 -2.98 116.94 115.31 1dps h PHE 59 Ca -0.43 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.09 1dps h PHE 59 Cb 1.30 0.39 -0.04 0.00 2.79 0.00 0.00 35.95 40.39 1dps h PHE 59 CO 0.50 -0.70 0.16 0.97 -2.23 0.00 0.00 178.31 177.02 1dps h ILE 60 N -1.19 0.89 -0.50 1.41 6.09 -1.92 0.12 117.51 122.41 1dps h ILE 60 Ca -0.12 -0.12 -0.07 0.00 -1.37 0.00 0.00 64.86 63.18 1dps h ILE 60 Cb 0.93 0.53 -0.02 0.00 0.47 0.00 0.00 36.82 38.72 1dps h ILE 60 CO 0.18 0.06 0.02 0.00 -3.07 0.00 0.00 178.15 175.34 1dps h ALA 61 N 1.26 0.67 -0.31 0.18 0.00 -2.00 -1.11 119.26 117.95 1dps h ALA 61 Ca 0.19 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1dps h ALA 61 Cb 0.16 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1dps h ALA 61 CO -0.18 0.46 -0.10 0.28 0.00 0.00 0.00 179.25 179.70 1dps h VAL 62 N 0.73 1.28 -0.39 0.00 2.07 -1.35 -0.38 116.25 118.22 1dps h VAL 62 Ca 0.14 -1.16 0.04 0.00 0.82 0.00 0.00 66.70 66.55 1dps h VAL 62 Cb 0.48 1.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.60 1dps h VAL 62 CO 0.02 0.37 0.15 -0.74 0.02 0.00 0.00 177.57 177.39 1dps h HIS 63 N 0.39 0.26 -0.42 1.57 6.17 -0.59 -1.44 115.15 121.09 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 0.60 -0.06 -0.01 0.00 2.52 0.00 0.00 27.41 30.46 1dps h HIS 63 CO 0.05 0.11 -0.31 0.93 0.71 0.00 0.00 177.93 179.43 1dps h GLU 64 N 0.31 0.93 -0.54 5.26 5.08 -1.14 -2.83 114.58 121.65 1dps h GLU 64 Ca 0.18 -0.44 0.03 0.00 -1.00 0.00 0.00 59.36 58.12 1dps h GLU 64 Cb 0.15 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 1dps h GLU 64 CO -0.17 1.10 0.32 1.98 -1.00 0.00 0.00 179.01 181.24 1dps h MET 65 N 0.78 0.61 -0.25 2.33 4.05 -0.73 -2.36 114.93 119.36 1dps h MET 65 Ca 0.08 -0.04 -0.06 0.00 -0.28 0.00 0.00 59.70 59.41 1dps h MET 65 Cb 0.88 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 31.53 1dps h MET 65 CO 0.08 0.41 -0.09 -0.07 0.23 0.00 0.00 176.91 177.46 1dps h LEU 66 N 0.63 0.38 -0.79 3.39 3.38 -1.20 -2.33 115.31 118.77 1dps h LEU 66 Ca 0.22 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 1dps h LEU 66 Cb 0.04 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1dps h LEU 66 CO -0.11 0.52 0.22 -0.78 0.09 0.00 0.00 178.44 178.38 1dps h ASP 67 N 0.38 1.05 -0.35 -0.43 3.58 -1.19 -1.94 116.42 117.52 1dps h ASP 67 Ca 0.08 -0.20 -0.07 0.00 0.42 0.00 0.00 57.03 57.26 1dps h ASP 67 Cb 0.40 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.16 1dps h ASP 67 CO 0.02 0.98 -0.01 1.23 -2.88 0.00 0.00 179.24 178.58 1dps h GLY 68 N 1.10 0.78 0.98 -0.78 0.00 -1.06 -2.80 103.07 101.30 1dps h GLY 68 Ca 0.23 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 1dps h GLY 68 CO -0.01 0.47 0.27 0.74 0.00 0.00 0.00 176.54 178.02 1dps h PHE 69 N 0.68 0.69 -0.59 5.60 -1.00 -0.92 -2.64 116.94 118.76 1dps h PHE 69 Ca 0.13 -0.02 0.06 0.00 2.81 0.00 0.00 57.97 60.96 1dps h PHE 69 Cb 0.43 -0.22 -0.06 0.00 3.61 0.00 0.00 35.95 39.72 1dps h PHE 69 CO 0.02 0.52 0.29 -0.09 -1.61 0.00 0.00 178.31 177.44 1dps h ARG 70 N 0.67 0.53 -0.43 1.51 1.12 -1.11 -0.21 114.38 116.45 1dps h ARG 70 Ca 0.18 -0.03 0.02 0.00 -1.11 0.00 0.00 59.98 59.03 1dps h ARG 70 Cb 0.05 -0.12 -0.03 0.00 -0.01 0.00 0.00 29.97 29.86 1dps h ARG 70 CO -0.03 0.35 0.26 1.15 -3.11 0.00 0.00 179.97 178.59 1dps h THR 71 N 0.55 1.05 -0.62 0.20 2.02 -1.33 -1.34 112.91 113.44 1dps h THR 71 Ca 0.27 -0.18 -0.08 0.00 0.77 0.00 0.00 66.41 67.20 1dps h THR 71 Cb 0.22 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 1dps h THR 71 CO -0.20 0.09 0.09 0.00 0.37 0.00 0.00 175.52 175.87 1dps h ALA 72 N 1.19 0.83 -0.66 6.16 0.00 -1.08 -2.40 119.26 123.31 1dps h ALA 72 Ca 0.17 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1dps h ALA 72 Cb 0.01 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1dps h ALA 72 CO -0.08 0.60 0.32 -0.07 0.00 0.00 0.00 179.25 180.01 1dps h LEU 73 N 0.95 0.86 -1.22 0.00 3.38 -0.76 -1.88 115.31 116.64 1dps h LEU 73 Ca 0.19 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 1dps h LEU 73 Cb 0.44 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1dps h LEU 73 CO 0.01 0.75 -0.37 0.16 0.09 0.00 0.00 178.44 179.08 1dps h ILE 74 N 0.91 1.12 -0.16 1.22 3.07 -1.12 -1.33 117.51 121.21 1dps h ILE 74 Ca 0.23 -1.32 -0.20 0.00 1.55 0.00 0.00 64.86 65.11 1dps h ILE 74 Cb 0.12 1.74 0.00 0.00 -0.27 0.00 0.00 36.82 38.41 1dps h ILE 74 CO -0.03 0.36 -0.70 0.44 -1.05 0.00 0.00 178.15 177.17 1dps h ASP 75 N 0.00 0.79 -0.19 2.16 3.32 -1.06 -2.08 116.42 119.36 1dps h ASP 75 Ca -0.00 -0.49 -0.04 0.00 0.02 0.00 0.00 57.03 56.51 1dps h ASP 75 Cb 0.71 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 1dps h ASP 75 CO 0.05 1.27 -0.05 0.45 -1.72 0.00 0.00 179.24 179.23 1dps h HIS 76 N 0.48 0.42 -0.13 4.55 3.86 -1.10 -2.41 115.15 120.83 1dps h HIS 76 Ca -0.03 -0.09 -0.06 0.00 -1.16 0.00 0.00 60.37 59.03 1dps h HIS 76 Cb 1.30 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 29.66 1dps h HIS 76 CO 0.07 0.63 -0.19 1.37 0.86 0.00 0.00 177.93 180.67 1dps h LEU 77 N 0.09 0.20 -0.39 2.43 8.10 -1.27 -1.24 115.31 123.24 1dps h LEU 77 Ca 0.05 -0.05 -0.03 0.00 0.11 0.00 0.00 57.88 57.96 1dps h LEU 77 Cb 0.50 -0.05 -0.02 0.00 -0.44 0.00 0.00 40.66 40.65 1dps h LEU 77 CO 0.02 0.41 0.12 0.44 -4.11 0.00 0.00 178.44 175.32 1dps h ASP 78 N 0.20 0.56 -1.01 0.17 3.32 -1.32 -0.18 116.42 118.16 1dps h ASP 78 Ca 0.04 -0.20 0.03 0.00 0.02 0.00 0.00 57.03 56.91 1dps h ASP 78 Cb 0.45 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 39.80 1dps h ASP 78 CO 0.03 0.62 0.66 0.74 -1.72 0.00 0.00 179.24 179.57 1dps h THR 79 N 0.48 1.20 -0.34 0.35 2.02 -0.88 -0.33 112.91 115.41 1dps h THR 79 Ca 0.12 -0.45 -0.10 0.00 0.77 0.00 0.00 66.41 66.76 1dps h THR 79 Cb 0.26 -0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.44 1dps h THR 79 CO -0.00 0.24 -0.16 0.24 0.37 0.00 0.00 175.52 176.20 1dps h MET 80 N 1.30 0.71 -0.58 6.66 2.86 -0.96 -1.89 114.93 123.03 1dps h MET 80 Ca 0.39 -0.31 -0.01 0.00 -2.06 0.00 0.00 59.70 57.71 1dps h MET 80 Cb -0.05 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.57 1dps h MET 80 CO -0.11 0.91 0.31 0.00 1.06 0.00 0.00 176.91 179.08 1dps h ALA 81 N 0.78 0.75 -0.81 6.32 0.00 -0.68 -1.90 119.26 123.72 1dps h ALA 81 Ca 0.08 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1dps h ALA 81 Cb 0.70 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 1dps h ALA 81 CO 0.05 0.28 0.33 0.93 0.00 0.00 0.00 179.25 180.83 1dps h GLU 82 N 0.79 1.20 -0.63 0.00 5.08 -1.00 -2.36 114.58 117.66 1dps h GLU 82 Ca 0.20 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1dps h GLU 82 Cb 0.06 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 1dps h GLU 82 CO -0.03 0.97 0.30 -0.09 -1.00 0.00 0.00 179.01 179.15 1dps h ARG 83 N 1.17 0.91 -0.41 2.33 9.65 -1.01 -1.21 114.38 125.81 1dps h ARG 83 Ca 0.27 -0.14 0.02 0.00 -1.10 0.00 0.00 59.98 59.03 1dps h ARG 83 Cb 0.21 -0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 28.60 1dps h ARG 83 CO -0.02 0.74 0.24 0.00 2.80 0.00 0.00 179.97 183.73 1dps h ALA 84 N 1.13 0.52 -0.02 2.80 0.00 -1.03 -2.42 119.26 120.24 1dps h ALA 84 Ca 0.22 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 1dps h ALA 84 Cb 0.13 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1dps h ALA 84 CO -0.03 -0.09 -0.54 -0.39 0.00 0.00 0.00 179.25 178.21 1dps h VAL 85 N 0.49 1.38 -0.43 0.00 -1.51 -1.23 -1.20 116.25 113.75 1dps h VAL 85 Ca 0.16 -1.83 -0.02 0.00 -1.23 0.00 0.00 66.70 63.78 1dps h VAL 85 Cb 0.01 1.96 -0.02 0.00 -2.13 0.00 0.00 31.29 31.11 1dps h VAL 85 CO -0.08 0.53 0.19 1.56 -1.23 0.00 0.00 177.57 178.55 1dps h GLN 86 N 0.05 0.60 -0.40 5.19 4.20 -0.88 -1.31 115.11 122.56 1dps h GLN 86 Ca -0.00 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.64 1dps h GLN 86 Cb 0.96 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.63 1dps h GLN 86 CO 0.07 0.48 0.00 1.28 -0.67 0.00 0.00 178.83 179.99 1dps n LEU 87 N -4.39 1.47 0.00 1.46 4.77 -0.94 -4.88 117.00 114.48 1dps n LEU 87 Ca 0.03 -0.74 0.00 0.00 -0.03 0.00 0.00 56.01 55.27 1dps n LEU 87 Cb 0.13 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1dps n LEU 87 CO 0.37 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 1dps n GLY 88 N 0.65 0.75 3.70 -0.72 0.00 -0.49 -4.84 105.19 104.23 1dps n GLY 88 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 1dps n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dps n GLY 89 N -2.33 0.25 3.25 -0.02 0.00 -0.48 -0.92 105.19 104.94 1dps n GLY 89 Ca 0.00 -1.97 -0.35 0.00 0.00 0.00 0.00 46.02 43.71 1dps n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dps s VAL 90 N -3.10 3.04 0.13 1.61 1.01 -1.26 -4.19 120.40 117.64 1dps s VAL 90 Ca 0.65 -0.69 -0.30 0.00 0.00 0.00 0.00 61.98 61.64 1dps s VAL 90 Cb -0.03 -2.41 -0.07 0.00 0.00 0.00 0.00 36.38 33.88 1dps s VAL 90 CO 0.44 0.39 1.13 0.00 0.00 0.00 0.00 175.10 177.06 1dps s ALA 91 N 1.41 3.37 -0.26 5.51 0.00 -1.26 -4.95 121.76 125.58 1dps s ALA 91 Ca 0.04 0.82 -0.04 0.00 0.00 0.00 0.00 51.96 52.78 1dps s ALA 91 Cb -0.15 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 19.60 1dps s ALA 91 CO -0.05 -0.30 -0.01 -0.51 0.00 0.00 0.00 175.76 174.89 1dps s LEU 92 N 0.19 3.34 0.00 0.00 1.43 -1.26 -4.96 118.68 117.42 1dps s LEU 92 Ca 0.53 -0.73 0.12 0.00 -1.03 0.00 0.00 54.13 53.02 1dps s LEU 92 Cb -0.29 -1.75 0.20 0.00 0.03 0.00 0.00 46.19 44.39 1dps s LEU 92 CO 0.33 -0.13 1.03 0.61 0.23 0.00 0.00 176.35 178.42 1dps n GLY 93 N 4.75 0.78 3.89 -3.19 0.00 -1.26 -4.54 105.19 105.63 1dps n GLY 93 Ca -0.16 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.17 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 4.85 0.28 2.61 -4.23 -1.26 -4.92 115.64 112.97 1dps s THR 94 Ca 0.16 0.40 0.01 0.00 -1.18 0.00 0.00 61.69 61.08 1dps s THR 94 Cb 0.19 -3.83 0.28 0.00 1.34 0.00 0.00 72.50 70.48 1dps s THR 94 CO -0.08 -0.79 1.82 0.74 -0.54 0.00 0.00 174.62 175.77 1dps h THR 95 N 0.41 0.88 -0.52 3.99 2.02 -1.99 -1.29 112.91 116.42 1dps h THR 95 Ca -0.47 -0.32 -0.03 0.00 0.77 0.00 0.00 66.41 66.36 1dps h THR 95 Cb 1.20 -0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 1dps h THR 95 CO 0.62 0.17 0.19 1.56 0.37 0.00 0.00 175.52 178.44 1dps h GLN 96 N 0.94 0.78 -0.28 6.66 7.50 -1.99 0.63 115.11 129.35 1dps h GLN 96 Ca 0.50 -0.15 -0.06 0.00 0.50 0.00 0.00 58.65 59.43 1dps h GLN 96 Cb 0.54 -0.12 -0.01 0.00 0.05 0.00 0.00 27.48 27.94 1dps h GLN 96 CO -0.28 0.70 -0.08 0.28 -1.50 0.00 0.00 178.83 177.95 1dps h VAL 97 N 0.70 1.28 -0.19 -0.54 2.07 -1.84 -2.13 116.25 115.59 1dps h VAL 97 Ca 0.17 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 1dps h VAL 97 Cb 0.22 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1dps h VAL 97 CO -0.01 0.35 0.09 0.40 0.02 0.00 0.00 177.57 178.42 1dps h ILE 98 N 0.31 1.14 -0.89 4.57 2.04 -1.09 -0.26 117.51 123.33 1dps h ILE 98 Ca 0.07 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.51 1dps h ILE 98 Cb 0.56 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.66 1dps h ILE 98 CO 0.03 0.14 0.57 -1.13 0.00 0.00 0.00 178.15 177.76 1dps h ASN 99 N 0.18 1.03 0.82 1.72 -0.73 -0.89 0.85 115.58 118.57 1dps h ASN 99 Ca 0.07 -0.04 -0.17 0.00 1.87 0.00 0.00 56.30 58.03 1dps h ASN 99 Cb 0.14 -0.26 -0.02 0.00 0.27 0.00 0.00 38.32 38.45 1dps h ASN 99 CO -0.01 0.76 -0.82 -1.28 -0.37 0.00 0.00 177.43 175.71 1dps h SER 100 N 1.21 0.00 -0.00 1.15 0.87 -1.17 -3.38 113.55 112.23 1dps h SER 100 Ca 0.32 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.88 1dps h SER 100 Cb -0.11 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.85 1dps h SER 100 CO -0.07 0.82 -0.32 0.29 -0.53 0.00 0.00 176.83 177.03 1dps n LYS 101 N -3.56 4.37 -1.73 2.24 5.02 -0.13 -5.04 118.16 119.34 1dps n LYS 101 Ca -0.01 -0.06 -0.42 0.00 -2.02 0.00 0.00 58.31 55.80 1dps n LYS 101 Cb 0.79 -0.86 -0.02 0.00 -0.02 0.00 0.00 35.03 34.93 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 -1.07 1.17 1.47 -0.18 5.66 0.26 -4.88 114.28 116.71 1dps n THR 102 Ca 0.02 -0.29 0.14 0.00 -3.05 0.00 0.00 64.05 60.86 1dps n THR 102 Cb 0.12 -1.84 0.57 0.00 -1.55 0.00 0.00 70.33 67.63 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 1.85 1.06 -3.25 1.09 -0.04 -1.26 -4.89 135.00 129.55 1dps n PRO 103 Ca 0.08 -0.49 -0.38 0.00 -0.04 0.00 0.00 63.50 62.67 1dps n PRO 103 Cb 0.36 -1.49 -0.06 0.00 -0.04 0.00 0.00 33.50 32.27 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 -2.28 4.31 0.33 1.53 1.43 -1.26 -5.04 118.68 117.69 1dps s LEU 104 Ca 0.33 0.93 -0.29 0.00 -1.03 0.00 0.00 54.13 54.07 1dps s LEU 104 Cb 0.20 -2.80 -0.11 0.00 0.03 0.00 0.00 46.19 43.52 1dps s LEU 104 CO 0.43 -0.00 1.42 -0.75 0.23 0.00 0.00 176.35 177.67 1dps s LYS 105 N 0.52 4.23 -0.09 1.70 2.20 -1.26 -4.88 119.74 122.17 1dps s LYS 105 Ca 0.29 2.39 -0.39 0.00 -0.36 0.00 0.00 55.97 57.89 1dps s LYS 105 Cb -0.16 -3.04 -0.17 0.00 -1.51 0.00 0.00 37.83 32.95 1dps s LYS 105 CO 0.13 -0.39 1.45 0.45 -0.36 0.00 0.00 175.35 176.63 1dps n SER 106 N 1.09 1.63 -4.73 1.43 2.88 -1.26 -4.88 113.62 109.78 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 -1.11 -0.03 0.00 -0.75 0.00 0.00 64.21 62.72 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 1.59 3.41 0.21 0.66 5.04 -1.26 -4.97 117.35 122.03 1dps s TYR 107 Ca 0.91 1.34 -0.32 0.00 -2.44 0.00 0.00 57.07 56.57 1dps s TYR 107 Cb -1.08 -3.46 -0.12 0.00 0.35 0.00 0.00 41.96 37.66 1dps s TYR 107 CO 0.57 -1.35 1.71 -1.25 -1.34 0.00 0.00 175.55 173.88 1dps s PRO 108 N 0.24 4.13 0.00 4.97 0.04 -1.26 -4.91 135.00 138.21 1dps s PRO 108 Ca 0.56 2.60 0.26 0.00 0.04 0.00 0.00 61.00 64.45 1dps s PRO 108 Cb -0.32 -3.07 0.64 0.00 0.04 0.00 0.00 34.50 31.78 1dps s PRO 108 CO 0.34 -0.74 1.49 1.28 0.04 0.00 0.00 177.00 179.42 1dps n LEU 109 N 3.83 1.37 -0.41 -3.56 4.77 -1.26 -4.33 117.00 117.40 1dps n LEU 109 Ca 0.15 -0.42 0.07 0.00 -0.03 0.00 0.00 56.01 55.78 1dps n LEU 109 Cb 0.35 -0.08 0.15 0.00 -2.33 0.00 0.00 43.42 41.52 1dps n LEU 109 CO 0.64 0.25 0.61 -0.90 -1.33 0.00 0.00 177.39 176.66 1dps n ASP 110 N -0.32 2.87 -4.80 -1.43 5.75 -1.26 -5.02 116.55 112.34 1dps n ASP 110 Ca 0.13 -2.68 -0.26 0.00 -0.01 0.00 0.00 54.79 51.96 1dps n ASP 110 Cb 0.38 -0.35 -0.05 0.00 -1.03 0.00 0.00 41.12 40.06 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 -2.20 4.52 0.00 2.12 -4.36 -1.26 -5.03 121.20 114.99 1dps s ILE 111 Ca 0.28 -1.04 0.00 0.00 -0.26 0.00 0.00 60.65 59.62 1dps s ILE 111 Cb 0.22 -3.30 0.00 0.00 1.25 0.00 0.00 42.46 40.63 1dps s ILE 111 CO 0.06 -0.09 0.00 1.41 0.24 0.00 0.00 174.94 176.56 1dps n HIS 112 N -0.30 0.00 -1.68 1.37 8.25 -1.26 -4.82 115.22 116.78 1dps n HIS 112 Ca -0.08 0.00 -0.45 0.00 -0.26 0.00 0.00 57.72 56.93 1dps n HIS 112 Cb 0.54 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.62 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 -1.45 3.05 -0.29 0.41 5.15 -1.26 -0.97 115.26 119.90 1dps n ASN 113 Ca 0.00 1.11 0.11 0.00 -0.60 0.00 0.00 54.58 55.19 1dps n ASN 113 Cb 0.08 -1.44 0.27 0.00 -0.53 0.00 0.00 39.78 38.16 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 3.42 0.52 -0.57 3.44 2.07 -1.61 -0.64 116.25 122.88 1dps h VAL 114 Ca -0.45 -0.14 -0.05 0.00 0.82 0.00 0.00 66.70 66.88 1dps h VAL 114 Cb 1.26 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 1dps h VAL 114 CO 0.84 0.07 0.16 1.56 0.02 0.00 0.00 177.57 180.22 1dps h GLN 115 N 0.41 0.86 -0.31 1.57 1.08 -1.89 -0.02 115.11 116.82 1dps h GLN 115 Ca 0.52 -0.17 -0.06 0.00 -1.45 0.00 0.00 58.65 57.49 1dps h GLN 115 Cb 0.93 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 28.21 1dps h GLN 115 CO -0.50 0.76 -0.03 -0.44 -0.95 0.00 0.00 178.83 177.67 1dps h ASP 116 N 0.83 0.56 -0.62 1.46 3.32 -1.50 -2.49 116.42 117.98 1dps h ASP 116 Ca 0.19 -0.34 -0.02 0.00 0.02 0.00 0.00 57.03 56.88 1dps h ASP 116 Cb 0.27 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 1dps h ASP 116 CO -0.00 0.77 0.30 0.45 -1.72 0.00 0.00 179.24 179.03 1dps h HIS 117 N 0.35 0.90 -0.97 4.55 3.86 -1.08 -2.26 115.15 120.50 1dps h HIS 117 Ca 0.08 -0.04 0.03 0.00 -1.16 0.00 0.00 60.37 59.28 1dps h HIS 117 Cb 0.50 -0.28 -0.05 0.00 1.06 0.00 0.00 27.41 28.63 1dps h HIS 117 CO 0.04 0.68 0.64 -0.07 0.86 0.00 0.00 177.93 180.08 1dps h LEU 118 N 0.85 1.08 -0.32 2.43 3.38 -0.89 0.44 115.31 122.28 1dps h LEU 118 Ca 0.21 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 58.06 1dps h LEU 118 Cb 0.12 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1dps h LEU 118 CO -0.03 0.76 -0.22 0.11 0.09 0.00 0.00 178.44 179.15 1dps h LYS 119 N 1.26 0.72 -0.66 1.13 1.57 -1.20 0.00 116.57 119.39 1dps h LYS 119 Ca 0.38 -0.34 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 1dps h LYS 119 Cb -0.05 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 1dps h LYS 119 CO -0.11 0.95 0.26 0.93 -0.57 0.00 0.00 179.45 180.91 1dps h GLU 120 N 0.49 1.00 -0.39 3.15 4.39 -1.00 -2.22 114.58 119.99 1dps h GLU 120 Ca 0.06 -0.19 -0.10 0.00 0.34 0.00 0.00 59.36 59.48 1dps h GLU 120 Cb 0.77 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 1dps h GLU 120 CO 0.06 0.84 -0.15 -0.07 -1.16 0.00 0.00 179.01 178.53 1dps h LEU 121 N 0.94 0.81 -0.66 1.33 3.38 -0.87 -2.83 115.31 117.41 1dps h LEU 121 Ca 0.22 -0.39 0.04 0.00 0.09 0.00 0.00 57.88 57.85 1dps h LEU 121 Cb 0.22 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 1dps h LEU 121 CO -0.02 1.01 0.38 0.00 0.09 0.00 0.00 178.44 179.91 1dps h ALA 122 N 0.82 0.87 -0.43 1.53 0.00 -0.77 0.23 119.26 121.52 1dps h ALA 122 Ca 0.09 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1dps h ALA 122 Cb 0.69 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1dps h ALA 122 CO 0.05 0.10 0.22 -0.44 0.00 0.00 0.00 179.25 179.18 1dps h ASP 123 N 0.73 0.54 -0.07 0.00 3.32 -1.37 -0.59 116.42 118.98 1dps h ASP 123 Ca 0.28 -0.10 -0.22 0.00 0.02 0.00 0.00 57.03 57.01 1dps h ASP 123 Cb 0.11 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 39.53 1dps h ASP 123 CO -0.15 0.49 -0.78 0.03 -1.72 0.00 0.00 179.24 177.12 1dps h ARG 124 N 0.55 0.72 -0.41 3.56 3.08 -1.21 -2.43 114.38 118.26 1dps h ARG 124 Ca 0.15 -0.60 -0.04 0.00 0.07 0.00 0.00 59.98 59.56 1dps h ARG 124 Cb 0.08 0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 1dps h ARG 124 CO -0.02 1.21 0.09 1.88 -1.07 0.00 0.00 179.97 182.06 1dps h TYR 125 N 0.49 0.61 -0.45 3.04 -1.99 -0.49 -2.47 116.97 115.72 1dps h TYR 125 Ca -0.05 -0.04 -0.12 0.00 2.00 0.00 0.00 58.73 60.52 1dps h TYR 125 Cb 1.40 -0.18 -0.01 0.00 2.00 0.00 0.00 36.73 39.93 1dps h TYR 125 CO 0.08 0.54 -0.20 0.00 -0.00 0.00 0.00 178.16 178.58 1dps h ALA 126 N 1.51 0.80 -0.18 3.88 0.00 -0.98 0.23 119.26 124.52 1dps h ALA 126 Ca 0.14 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.69 1dps h ALA 126 Cb 0.24 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1dps h ALA 126 CO -0.00 0.65 0.04 0.82 0.00 0.00 0.00 179.25 180.76 1dps h ILE 127 N 0.78 0.93 -0.14 0.00 1.08 -1.04 0.10 117.51 119.22 1dps h ILE 127 Ca 0.11 -0.04 -0.03 0.00 -0.39 0.00 0.00 64.86 64.50 1dps h ILE 127 Cb 0.74 0.80 -0.00 0.00 -3.07 0.00 0.00 36.82 35.28 1dps h ILE 127 CO 0.06 0.02 -0.05 0.58 -0.69 0.00 0.00 178.15 178.07 1dps h VAL 128 N 0.12 1.30 0.00 1.67 2.07 -1.28 -2.46 116.25 117.68 1dps h VAL 128 Ca 0.08 -1.03 0.01 0.00 0.82 0.00 0.00 66.70 66.58 1dps h VAL 128 Cb 0.07 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1dps h VAL 128 CO -0.10 0.30 -0.06 0.00 0.02 0.00 0.00 177.57 177.73 1dps h ALA 129 N 0.69 -0.07 -0.23 1.67 0.00 -0.44 -0.47 119.26 120.40 1dps h ALA 129 Ca 0.03 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1dps h ALA 129 Cb 0.49 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1dps h ALA 129 CO 0.02 -0.56 -0.16 -0.91 0.00 0.00 0.00 179.25 177.63 1dps h ASN 130 N -0.12 0.39 -0.07 0.00 2.35 -1.05 -1.86 115.58 115.22 1dps h ASN 130 Ca 0.03 -0.10 -0.08 0.00 -0.55 0.00 0.00 56.30 55.59 1dps h ASN 130 Cb 0.15 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.42 1dps h ASN 130 CO -0.07 0.57 -0.28 -0.78 -1.65 0.00 0.00 177.43 175.23 1dps h ASP 131 N 0.37 0.38 0.36 5.81 3.58 -1.15 -2.78 116.42 122.97 1dps h ASP 131 Ca 0.07 -0.63 -0.07 0.00 0.42 0.00 0.00 57.03 56.81 1dps h ASP 131 Cb 0.50 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.43 1dps h ASP 131 CO 0.03 0.94 -0.34 1.62 -2.88 0.00 0.00 179.24 178.61 1dps h VAL 132 N -0.17 1.23 -0.37 2.25 3.04 -1.04 -0.57 116.25 120.61 1dps h VAL 132 Ca -0.01 -1.18 -0.10 0.00 -1.01 0.00 0.00 66.70 64.39 1dps h VAL 132 Cb 0.92 1.64 -0.02 0.00 -2.01 0.00 0.00 31.29 31.83 1dps h VAL 132 CO 0.06 0.34 -0.19 -0.09 -1.01 0.00 0.00 177.57 176.68 1dps h ARG 133 N 0.00 0.69 -0.28 4.17 2.43 -1.32 -2.54 114.38 117.52 1dps h ARG 133 Ca -0.00 -0.25 -0.14 0.00 -0.81 0.00 0.00 59.98 58.77 1dps h ARG 133 Cb 0.61 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1dps h ARG 133 CO 0.04 0.83 -0.38 -0.22 -1.51 0.00 0.00 179.97 178.74 1dps h LYS 134 N 0.62 0.75 -0.58 0.20 3.64 -1.17 -3.08 116.57 116.95 1dps h LYS 134 Ca 0.09 -0.43 0.13 0.00 -1.27 0.00 0.00 60.65 59.17 1dps h LYS 134 Cb 0.66 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.48 1dps h LYS 134 CO 0.05 1.06 0.40 0.00 -2.27 0.00 0.00 179.45 178.69 1dps h ALA 135 N 0.69 2.27 -0.21 5.00 0.00 -0.78 -2.17 119.26 124.06 1dps h ALA 135 Ca 0.03 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1dps h ALA 135 Cb 0.97 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 1dps h ALA 135 CO 0.09 -0.42 -0.07 0.82 0.00 0.00 0.00 179.25 179.67 1dps h ILE 136 N 0.20 0.76 0.00 0.00 2.04 -1.36 -1.54 117.51 117.60 1dps h ILE 136 Ca 0.28 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.13 1dps h ILE 136 Cb 0.81 0.76 -0.00 0.00 -0.74 0.00 0.00 36.82 37.65 1dps h ILE 136 CO -0.05 0.00 -0.03 1.23 0.00 0.00 0.00 178.15 179.31 1dps h GLY 137 N -0.02 0.00 0.38 5.37 0.00 -1.53 -3.03 103.07 104.24 1dps h GLY 137 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1dps h GLY 137 CO -0.23 0.00 -1.18 1.18 0.00 0.00 0.00 176.54 176.31 1dps n GLU 138 N -3.21 0.30 -2.28 4.80 1.02 -0.64 -4.87 120.64 115.75 1dps n GLU 138 Ca -0.01 -0.04 -0.42 0.00 -0.02 0.00 0.00 57.16 56.68 1dps n GLU 138 Cb 0.19 -1.56 -0.03 0.00 -0.02 0.00 0.00 31.44 30.02 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 -3.21 2.77 0.28 0.62 0.00 -0.82 -4.87 121.76 116.52 1dps s ALA 139 Ca 0.03 -0.45 0.09 0.00 0.00 0.00 0.00 51.96 51.62 1dps s ALA 139 Cb 0.15 -4.09 0.40 0.00 0.00 0.00 0.00 23.12 19.57 1dps s ALA 139 CO 0.83 -2.93 1.64 0.87 0.00 0.00 0.00 175.76 176.18 1dps h LYS 140 N 11.78 0.10 -6.30 0.00 1.79 -1.89 -3.42 116.57 118.62 1dps h LYS 140 Ca -0.28 -0.06 -0.57 0.00 -2.18 0.00 0.00 60.65 57.57 1dps h LYS 140 Cb 1.11 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.73 1dps h LYS 140 CO 1.15 0.62 1.05 0.34 -1.08 0.00 0.00 179.45 181.53 1dps s ASP 141 N -6.88 6.54 0.18 0.86 2.15 -1.26 -4.91 116.67 113.35 1dps s ASP 141 Ca -0.03 1.49 -0.13 0.00 0.43 0.00 0.00 52.55 54.31 1dps s ASP 141 Cb 0.13 -2.54 0.17 0.00 -0.30 0.00 0.00 42.92 40.38 1dps s ASP 141 CO 0.77 -1.15 1.74 0.44 -0.17 0.00 0.00 175.17 176.80 1dps h ASP 142 N 9.97 0.13 -0.78 -0.34 3.32 -2.00 -0.93 116.42 125.78 1dps h ASP 142 Ca -0.30 0.07 0.03 0.00 0.02 0.00 0.00 57.03 56.85 1dps h ASP 142 Cb 1.13 0.06 -0.05 0.00 0.22 0.00 0.00 39.33 40.69 1dps h ASP 142 CO 1.01 0.10 0.50 0.44 -1.72 0.00 0.00 179.24 179.57 1dps h ASP 143 N 0.32 0.82 -0.42 6.45 3.32 -1.96 -1.82 116.42 123.12 1dps h ASP 143 Ca 0.24 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.25 1dps h ASP 143 Cb 0.27 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1dps h ASP 143 CO -0.26 0.56 0.11 0.74 -1.72 0.00 0.00 179.24 178.67 1dps h THR 144 N 0.96 1.23 -0.76 0.35 2.02 -1.82 -1.96 112.91 112.93 1dps h THR 144 Ca 0.32 -0.77 0.03 0.00 0.77 0.00 0.00 66.41 66.76 1dps h THR 144 Cb 0.03 0.93 -0.04 0.00 -1.74 0.00 0.00 68.15 67.32 1dps h THR 144 CO -0.12 0.27 0.50 0.00 0.37 0.00 0.00 175.52 176.55 1dps h ALA 145 N 0.97 1.55 -0.29 6.16 0.00 -0.74 -0.49 119.26 126.42 1dps h ALA 145 Ca 0.13 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1dps h ALA 145 Cb 0.30 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1dps h ALA 145 CO -0.00 0.38 0.02 0.22 0.00 0.00 0.00 179.25 179.86 1dps h ASP 146 N 0.93 0.49 -0.33 0.00 3.58 -1.10 -0.58 116.42 119.41 1dps h ASP 146 Ca 0.30 -0.29 0.03 0.00 0.42 0.00 0.00 57.03 57.49 1dps h ASP 146 Cb 0.04 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 40.94 1dps h ASP 146 CO -0.09 0.66 0.15 0.40 -2.88 0.00 0.00 179.24 177.49 1dps h ILE 147 N 0.30 0.97 -0.20 2.25 2.04 -0.80 -2.09 117.51 119.99 1dps h ILE 147 Ca 0.08 -0.11 -0.06 0.00 1.00 0.00 0.00 64.86 65.78 1dps h ILE 147 Cb 0.40 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1dps h ILE 147 CO 0.01 0.06 -0.13 -0.07 0.00 0.00 0.00 178.15 178.02 1dps h LEU 148 N 0.32 0.30 -0.46 1.44 3.38 -0.93 -2.27 115.31 117.10 1dps h LEU 148 Ca 0.14 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 1dps h LEU 148 Cb 0.06 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1dps h LEU 148 CO -0.10 0.47 0.00 0.74 0.09 0.00 0.00 178.44 179.64 1dps h THR 149 N 0.30 1.26 -0.54 0.22 2.02 -0.63 0.18 112.91 115.72 1dps h THR 149 Ca 0.06 -1.04 -0.03 0.00 0.77 0.00 0.00 66.41 66.17 1dps h THR 149 Cb 0.42 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 1dps h THR 149 CO 0.02 0.36 0.22 0.00 0.37 0.00 0.00 175.52 176.50 1dps h ALA 150 N 0.92 0.71 -0.46 6.16 0.00 -1.16 -1.20 119.26 124.23 1dps h ALA 150 Ca 0.13 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1dps h ALA 150 Cb 0.49 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1dps h ALA 150 CO 0.02 0.31 0.07 0.00 0.00 0.00 0.00 179.25 179.66 1dps h ALA 151 N 1.07 0.61 -0.70 0.00 0.00 -1.27 -2.93 119.26 116.02 1dps h ALA 151 Ca 0.18 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1dps h ALA 151 Cb 0.19 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1dps h ALA 151 CO -0.02 0.33 0.19 1.03 0.00 0.00 0.00 179.25 180.78 1dps h SER 152 N 0.62 1.04 -0.83 0.00 0.87 -0.77 -0.35 113.55 114.13 1dps h SER 152 Ca 0.14 -0.21 0.02 0.00 -1.23 0.00 0.00 61.79 60.51 1dps h SER 152 Cb 0.39 -0.27 -0.05 0.00 -0.44 0.00 0.00 62.40 62.03 1dps h SER 152 CO 0.01 0.99 0.54 0.03 -0.53 0.00 0.00 176.83 177.86 1dps h ARG 153 N 1.06 1.03 -0.16 2.24 3.08 -1.17 -0.67 114.38 119.79 1dps h ARG 153 Ca 0.22 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.14 1dps h ARG 153 Cb 0.34 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 1dps h ARG 153 CO -0.00 0.68 -0.18 -0.44 -1.07 0.00 0.00 179.97 178.96 1dps h ASP 154 N 1.06 0.43 -0.90 7.04 3.32 -1.25 -2.44 116.42 123.69 1dps h ASP 154 Ca 0.32 -0.49 0.07 0.00 0.02 0.00 0.00 57.03 56.95 1dps h ASP 154 Cb -0.04 -0.12 -0.06 0.00 0.22 0.00 0.00 39.33 39.32 1dps h ASP 154 CO -0.10 0.84 0.56 -0.07 -1.72 0.00 0.00 179.24 178.75 1dps h LEU 155 N 0.04 0.87 -0.83 1.55 -0.00 -0.88 0.16 115.31 116.22 1dps h LEU 155 Ca 0.02 0.02 -0.11 0.00 -0.00 0.00 0.00 57.88 57.81 1dps h LEU 155 Cb 0.73 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 41.21 1dps h LEU 155 CO 0.04 0.55 -0.31 0.44 -0.00 0.00 0.00 178.44 179.16 1dps h ASP 156 N 1.00 0.52 -0.32 -0.43 5.19 -1.12 0.39 116.42 121.65 1dps h ASP 156 Ca 0.40 -0.20 -0.15 0.00 -0.62 0.00 0.00 57.03 56.46 1dps h ASP 156 Cb 0.20 -0.14 -0.00 0.00 0.18 0.00 0.00 39.33 39.57 1dps h ASP 156 CO -0.18 0.81 -0.39 0.50 -3.12 0.00 0.00 179.24 176.86 1dps h LYS 157 N 0.44 0.84 -0.43 3.56 3.64 -0.82 -2.50 116.57 121.30 1dps h LYS 157 Ca 0.05 -0.47 -0.05 0.00 -1.27 0.00 0.00 60.65 58.92 1dps h LYS 157 Cb 0.76 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.60 1dps h LYS 157 CO 0.06 1.10 0.06 0.74 -2.27 0.00 0.00 179.45 179.14 1dps h PHE 158 N 0.62 0.76 -0.57 1.91 0.04 -0.41 -0.91 116.94 118.38 1dps h PHE 158 Ca 0.04 -0.11 0.01 0.00 2.80 0.00 0.00 57.97 60.71 1dps h PHE 158 Cb 0.98 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 38.89 1dps h PHE 158 CO 0.07 0.74 0.37 1.25 -0.60 0.00 0.00 178.31 180.14 1dps h LEU 159 N 0.57 0.64 -0.17 1.54 5.85 -0.93 -0.71 115.31 122.09 1dps h LEU 159 Ca 0.13 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.84 1dps h LEU 159 Cb 0.39 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1dps h LEU 159 CO 0.01 0.46 0.09 -0.25 -0.34 0.00 0.00 178.44 178.41 1dps h TRP 160 N 0.76 0.17 -0.91 1.25 7.01 -1.24 -0.59 115.95 122.40 1dps h TRP 160 Ca 0.21 0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.26 1dps h TRP 160 Cb -0.07 -0.05 -0.06 0.00 -2.10 0.00 0.00 29.16 26.89 1dps h TRP 160 CO -0.04 0.10 0.58 0.74 -2.79 0.00 0.00 178.44 177.03 1dps h PHE 161 N 0.19 1.09 -0.02 2.65 -1.00 -0.78 0.10 116.94 119.17 1dps h PHE 161 Ca 0.07 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.87 1dps h PHE 161 Cb 0.01 -0.36 -0.00 0.00 3.61 0.00 0.00 35.95 39.20 1dps h PHE 161 CO -0.09 0.61 -0.00 0.82 -1.61 0.00 0.00 178.31 178.05 1dps h ILE 162 N 1.12 1.26 -0.57 -0.55 2.04 -0.78 -3.04 117.51 116.98 1dps h ILE 162 Ca 0.37 -0.77 -0.04 0.00 1.00 0.00 0.00 64.86 65.42 1dps h ILE 162 Cb 0.04 1.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.83 1dps h ILE 162 CO -0.13 0.20 0.20 -0.33 0.00 0.00 0.00 178.15 178.09 1dps h GLU 163 N -0.27 0.84 0.00 2.37 5.08 -0.94 -2.56 114.58 119.10 1dps h GLU 163 Ca 0.01 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1dps h GLU 163 Cb 0.33 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1dps h GLU 163 CO 0.00 0.71 0.00 0.00 -1.00 0.00 0.00 179.01 178.72 1dps n ASN 165 N -2.93 0.89 -4.70 0.00 3.02 -0.97 -4.86 115.26 105.71 1dps n ASN 165 Ca -0.01 -0.71 -0.41 0.00 -0.03 0.00 0.00 54.58 53.42 1dps n ASN 165 Cb 0.19 0.21 -0.03 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 -2.67 4.91 -2.00 2.41 1.01 -0.78 -5.01 121.20 119.07 1dps s ILE 166 Ca 0.19 1.85 0.15 0.00 0.00 0.00 0.00 60.65 62.85 1dps s ILE 166 Cb 0.19 -4.23 0.43 0.00 0.01 0.00 0.00 42.46 38.86 1dps s ILE 166 CO 0.59 0.15 1.31 -0.62 0.00 0.00 0.00 174.94 176.37