#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 3.79 0.34 2.23 1.43 -0.25 -5.02 118.68 121.20 1dps s LEU 15 Ca 0.00 1.66 -0.27 0.00 -1.03 0.00 0.00 54.13 54.49 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 -0.51 1.12 -0.47 0.23 0.00 0.00 176.35 176.72 1dps s TYR 16 N -2.35 3.34 -0.08 0.29 5.04 -1.26 -4.56 117.35 117.76 1dps s TYR 16 Ca 0.61 1.63 -0.29 0.00 -2.44 0.00 0.00 57.07 56.59 1dps s TYR 16 Cb -0.10 -3.30 0.07 0.00 0.35 0.00 0.00 41.96 38.97 1dps s TYR 16 CO 0.21 -0.85 0.66 -0.08 -1.34 0.00 0.00 175.55 174.15 1dps s THR 17 N -1.34 0.00 -0.53 4.34 -1.32 -1.26 -5.00 115.64 110.53 1dps s THR 17 Ca 0.51 -0.03 0.23 0.00 -1.21 0.00 0.00 61.69 61.19 1dps s THR 17 Cb -0.30 -0.97 0.24 0.00 -1.51 0.00 0.00 72.50 69.96 1dps s THR 17 CO 0.38 -0.02 1.69 0.54 -2.21 0.00 0.00 174.62 175.00 1dps n ARG 18 N 1.26 0.18 -1.67 7.08 1.74 -1.26 -4.72 116.66 119.26 1dps n ARG 18 Ca -0.18 0.40 -0.46 0.00 -0.77 0.00 0.00 57.85 56.84 1dps n ARG 18 Cb 0.57 -1.84 -0.04 0.00 -1.02 0.00 0.00 32.46 30.13 1dps n ARG 18 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1dps n ASN 19 N -2.17 3.75 -1.58 0.55 2.85 -1.26 -4.89 115.26 112.51 1dps n ASN 19 Ca 0.02 0.94 0.04 0.00 -0.11 0.00 0.00 54.58 55.47 1dps n ASN 19 Cb 0.23 -1.44 0.30 0.00 1.24 0.00 0.00 39.78 40.11 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 6.97 4.52 -4.76 1.20 5.75 -1.26 -4.92 116.55 124.04 1dps n ASP 20 Ca 0.21 -2.74 -0.41 0.00 -0.01 0.00 0.00 54.79 51.84 1dps n ASP 20 Cb 0.34 -0.65 -0.00 0.00 -1.03 0.00 0.00 41.12 39.78 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 0.39 1.84 -1.59 2.12 0.31 -1.26 -4.89 118.33 115.24 1dps n VAL 21 Ca 0.23 -0.46 -0.36 0.00 -0.01 0.00 0.00 64.34 63.73 1dps n VAL 21 Cb 1.00 -1.94 0.08 0.00 -0.91 0.00 0.00 33.84 32.06 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 0.76 1.58 -0.36 4.52 3.41 -1.26 -4.73 113.62 117.54 1dps n SER 22 Ca 0.03 0.78 0.08 0.00 -0.26 0.00 0.00 58.87 59.49 1dps n SER 22 Cb 0.38 -1.51 0.25 0.00 -0.26 0.00 0.00 64.21 63.07 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 0.25 0.91 -0.45 4.04 3.32 -1.97 0.98 116.42 123.49 1dps h ASP 23 Ca -0.50 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 56.59 1dps h ASP 23 Cb 1.34 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.74 1dps h ASP 23 CO 0.51 0.46 0.22 -1.28 -1.72 0.00 0.00 179.24 177.43 1dps h SER 24 N 0.96 0.59 0.72 6.45 0.87 -2.00 -1.29 113.55 119.85 1dps h SER 24 Ca 0.51 -0.13 -0.16 0.00 -1.23 0.00 0.00 61.79 60.78 1dps h SER 24 Cb 0.54 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.33 1dps h SER 24 CO -0.28 0.55 -0.77 -0.08 -0.53 0.00 0.00 176.83 175.72 1dps h GLU 25 N 0.58 0.04 0.19 2.24 4.81 -1.79 -2.29 114.58 118.36 1dps h GLU 25 Ca 0.15 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 1dps h GLU 25 Cb 0.12 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.51 1dps h GLU 25 CO -0.02 0.79 -0.09 0.87 -0.73 0.00 0.00 179.01 179.83 1dps h LYS 26 N 0.02 -0.25 -0.45 1.92 1.57 -0.65 0.06 116.57 118.80 1dps h LYS 26 Ca -0.01 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1dps h LYS 26 Cb 1.36 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.70 1dps h LYS 26 CO 0.10 -0.11 0.29 0.87 -0.57 0.00 0.00 179.45 180.04 1dps h LYS 27 N -0.33 0.59 -0.79 3.15 1.57 -1.21 0.08 116.57 119.63 1dps h LYS 27 Ca -0.03 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1dps h LYS 27 Cb 0.25 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.39 1dps h LYS 27 CO 0.04 0.39 0.38 0.00 -0.57 0.00 0.00 179.45 179.70 1dps h ALA 28 N 1.16 1.02 -0.27 3.86 0.00 -1.28 -1.92 119.26 121.83 1dps h ALA 28 Ca 0.16 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.74 1dps h ALA 28 Cb -0.07 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.41 1dps h ALA 28 CO -0.04 0.58 -0.54 1.15 0.00 0.00 0.00 179.25 180.40 1dps h THR 29 N 1.11 1.28 -0.55 0.00 2.02 -0.69 -2.23 112.91 113.85 1dps h THR 29 Ca 0.27 -1.73 0.00 0.00 0.77 0.00 0.00 66.41 65.72 1dps h THR 29 Cb 0.11 1.68 -0.03 0.00 -1.74 0.00 0.00 68.15 68.17 1dps h THR 29 CO -0.03 0.56 0.35 0.58 0.37 0.00 0.00 175.52 177.35 1dps h VAL 30 N 0.62 1.16 -0.51 3.16 2.07 -0.86 0.56 116.25 122.44 1dps h VAL 30 Ca 0.01 -0.32 -0.09 0.00 0.82 0.00 0.00 66.70 67.12 1dps h VAL 30 Cb 1.15 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 1dps h VAL 30 CO 0.12 0.16 -0.03 -0.33 0.02 0.00 0.00 177.57 177.51 1dps h GLU 31 N 0.75 0.88 -0.06 1.57 4.39 -1.30 -1.12 114.58 119.69 1dps h GLU 31 Ca 0.20 -0.27 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 1dps h GLU 31 Cb -0.05 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.51 1dps h GLU 31 CO -0.04 0.90 0.02 1.25 -1.16 0.00 0.00 179.01 179.97 1dps h LEU 32 N 0.81 0.09 -0.73 1.33 6.46 -1.02 -2.69 115.31 119.56 1dps h LEU 32 Ca 0.15 -0.22 -0.04 0.00 -0.12 0.00 0.00 57.88 57.65 1dps h LEU 32 Cb 0.52 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.40 1dps h LEU 32 CO 0.03 0.28 0.31 -0.07 -0.62 0.00 0.00 178.44 178.37 1dps h LEU 33 N -0.11 0.99 -1.25 2.25 3.38 -0.73 -2.80 115.31 117.03 1dps h LEU 33 Ca 0.02 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 1dps h LEU 33 Cb 0.23 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1dps h LEU 33 CO -0.00 0.88 -0.17 0.78 0.09 0.00 0.00 178.44 180.02 1dps h ASN 34 N 1.04 0.29 -0.52 -0.43 2.35 -1.20 0.67 115.58 117.79 1dps h ASN 34 Ca 0.25 -0.07 -0.05 0.00 -0.55 0.00 0.00 56.30 55.87 1dps h ASN 34 Cb 0.18 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 1dps h ASN 34 CO -0.02 0.48 0.12 0.03 -1.65 0.00 0.00 177.43 176.39 1dps h ARG 35 N 0.28 0.84 -0.32 0.81 3.08 -1.28 -1.70 114.38 116.09 1dps h ARG 35 Ca 0.05 -0.20 -0.07 0.00 0.07 0.00 0.00 59.98 59.83 1dps h ARG 35 Cb 0.47 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 1dps h ARG 35 CO 0.03 0.80 -0.06 1.96 -1.07 0.00 0.00 179.97 181.63 1dps h GLN 36 N 0.73 0.61 -0.74 0.04 1.08 -1.15 -2.94 115.11 112.74 1dps h GLN 36 Ca 0.16 -0.23 0.06 0.00 -1.45 0.00 0.00 58.65 57.20 1dps h GLN 36 Cb 0.34 -0.04 -0.06 0.00 -0.05 0.00 0.00 27.48 27.68 1dps h GLN 36 CO 0.00 0.78 0.44 0.28 -0.95 0.00 0.00 178.83 179.38 1dps h VAL 37 N 0.39 1.00 0.13 -0.54 2.07 -0.73 -0.57 116.25 117.99 1dps h VAL 37 Ca 0.08 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1dps h VAL 37 Cb 0.55 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1dps h VAL 37 CO 0.03 0.15 -0.12 0.40 0.02 0.00 0.00 177.57 178.04 1dps h ILE 38 N 0.80 0.73 0.00 4.57 2.04 -1.23 -0.39 117.51 124.03 1dps h ILE 38 Ca 0.33 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 66.07 1dps h ILE 38 Cb 0.18 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 1dps h ILE 38 CO -0.18 0.00 -0.58 0.06 0.00 0.00 0.00 178.15 177.45 1dps h GLN 39 N -0.27 0.00 -0.30 2.37 3.07 -1.32 -1.83 115.11 116.82 1dps h GLN 39 Ca 0.00 0.00 -0.16 0.00 0.09 0.00 0.00 58.65 58.58 1dps h GLN 39 Cb 0.26 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.82 1dps h GLN 39 CO -0.03 0.58 -0.44 0.74 0.09 0.00 0.00 178.83 179.77 1dps h PHE 40 N 0.00 1.02 -0.22 0.06 -1.00 -0.95 -0.13 116.94 115.72 1dps h PHE 40 Ca -0.01 -0.34 -0.02 0.00 2.81 0.00 0.00 57.97 60.41 1dps h PHE 40 Cb 1.10 -0.20 -0.01 0.00 3.61 0.00 0.00 35.95 40.45 1dps h PHE 40 CO 0.00 1.15 0.05 0.82 -1.61 0.00 0.00 178.31 178.72 1dps h ILE 41 N 0.60 1.21 -0.84 -0.55 2.04 -0.97 -1.09 117.51 117.91 1dps h ILE 41 Ca 0.03 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.20 1dps h ILE 41 Cb 1.04 1.25 -0.04 0.00 -0.74 0.00 0.00 36.82 38.33 1dps h ILE 41 CO 0.10 0.22 0.53 -0.78 0.00 0.00 0.00 178.15 178.22 1dps h ASP 42 N 0.17 0.99 -0.24 1.72 3.58 -1.30 -1.72 116.42 119.62 1dps h ASP 42 Ca 0.07 -0.05 -0.06 0.00 0.42 0.00 0.00 57.03 57.41 1dps h ASP 42 Cb 0.28 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.07 1dps h ASP 42 CO 0.00 0.75 -0.03 0.25 -2.88 0.00 0.00 179.24 177.33 1dps h LEU 43 N 1.15 0.54 -0.78 2.28 5.85 -0.87 -1.25 115.31 122.24 1dps h LEU 43 Ca 0.31 -0.12 -0.12 0.00 0.84 0.00 0.00 57.88 58.79 1dps h LEU 43 Cb -0.08 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 1dps h LEU 43 CO -0.06 0.64 -0.38 0.77 -0.34 0.00 0.00 178.44 179.06 1dps h SER 44 N 0.54 0.49 -0.38 1.25 4.64 -0.40 -0.71 113.55 118.98 1dps h SER 44 Ca 0.11 -0.21 -0.15 0.00 -0.47 0.00 0.00 61.79 61.07 1dps h SER 44 Cb 0.39 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 1dps h SER 44 CO 0.02 0.83 -0.35 -0.07 -0.87 0.00 0.00 176.83 176.39 1dps h LEU 45 N 0.39 0.96 -1.08 5.97 3.38 -0.82 -3.02 115.31 121.09 1dps h LEU 45 Ca 0.04 -0.46 -0.09 0.00 0.09 0.00 0.00 57.88 57.46 1dps h LEU 45 Cb 0.84 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1dps h LEU 45 CO 0.07 1.22 -0.27 0.40 0.09 0.00 0.00 178.44 179.95 1dps h ILE 46 N 0.71 1.26 -0.49 1.22 2.04 -1.10 -1.59 117.51 119.55 1dps h ILE 46 Ca 0.06 -1.22 -0.02 0.00 1.00 0.00 0.00 64.86 64.68 1dps h ILE 46 Cb 0.94 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 38.42 1dps h ILE 46 CO 0.09 0.37 0.21 0.74 0.00 0.00 0.00 178.15 179.57 1dps h THR 47 N 0.29 1.20 -0.12 -0.27 2.02 -1.06 -1.81 112.91 113.17 1dps h THR 47 Ca 0.04 -0.60 -0.20 0.00 0.77 0.00 0.00 66.41 66.43 1dps h THR 47 Cb 0.63 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 1dps h THR 47 CO 0.05 0.23 -0.73 0.11 0.37 0.00 0.00 175.52 175.55 1dps h LYS 48 N 0.64 0.57 -0.58 6.66 1.79 -1.42 -2.03 116.57 122.21 1dps h LYS 48 Ca 0.16 -0.46 0.07 0.00 -2.18 0.00 0.00 60.65 58.25 1dps h LYS 48 Cb 0.16 0.09 -0.06 0.00 -1.58 0.00 0.00 32.23 30.84 1dps h LYS 48 CO -0.02 1.08 0.27 0.37 -1.08 0.00 0.00 179.45 180.07 1dps h GLN 49 N 0.40 0.49 -0.08 3.15 5.75 -1.04 -1.13 115.11 122.65 1dps h GLN 49 Ca -0.03 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.40 1dps h GLN 49 Cb 1.32 -0.11 -0.00 0.00 1.07 0.00 0.00 27.48 29.76 1dps h GLN 49 CO 0.14 0.32 -0.09 0.00 -2.65 0.00 0.00 178.83 176.55 1dps h ALA 50 N 1.35 0.11 -0.95 3.38 0.00 -1.32 -3.19 119.26 118.64 1dps h ALA 50 Ca 0.27 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1dps h ALA 50 Cb 0.24 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 1dps h ALA 50 CO -0.22 -0.05 0.62 1.25 0.00 0.00 0.00 179.25 180.85 1dps h HIS 51 N -0.24 1.16 -0.17 0.00 -0.00 -1.10 -2.67 115.15 112.12 1dps h HIS 51 Ca 0.01 0.03 -0.17 0.00 -0.00 0.00 0.00 60.37 60.24 1dps h HIS 51 Cb 0.61 -0.39 -0.00 0.00 -0.00 0.00 0.00 27.41 27.63 1dps h HIS 51 CO 0.09 0.66 -0.59 -1.49 -0.00 0.00 0.00 177.93 176.61 1dps h TRP 52 N 1.19 0.72 -0.65 5.26 6.55 -1.31 -3.35 115.95 124.35 1dps h TRP 52 Ca 0.38 -0.27 0.00 0.00 0.95 0.00 0.00 58.89 59.96 1dps h TRP 52 Cb 0.04 -0.13 0.00 0.00 -0.86 0.00 0.00 29.16 28.21 1dps h TRP 52 CO -0.00 1.01 0.00 0.09 -1.05 0.00 0.00 178.44 178.49 1dps n ASN 53 N -3.94 4.77 -4.94 -3.49 3.02 -1.05 -4.99 115.26 104.64 1dps n ASN 53 Ca -0.04 -2.44 -0.26 0.00 -0.03 0.00 0.00 54.58 51.81 1dps n ASN 53 Cb 0.63 -0.58 -0.03 0.00 -0.61 0.00 0.00 39.78 39.19 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 -1.84 3.45 0.03 3.52 0.23 -1.03 -4.40 119.30 119.26 1dps s MET 54 Ca 0.51 -0.58 -0.28 0.00 -1.03 0.00 0.00 55.69 54.32 1dps s MET 54 Cb 0.33 -2.95 0.07 0.00 -1.53 0.00 0.00 34.83 30.75 1dps s MET 54 CO 0.25 0.51 0.65 -0.98 -2.03 0.00 0.00 175.02 173.42 1dps s ARG 55 N -3.27 1.15 0.00 3.16 1.70 -0.02 -4.95 118.95 116.72 1dps s ARG 55 Ca 0.35 -0.03 0.00 0.00 -0.47 0.00 0.00 55.73 55.58 1dps s ARG 55 Cb -0.11 0.54 0.00 0.00 -0.57 0.00 0.00 34.95 34.81 1dps s ARG 55 CO 0.29 -0.42 0.00 0.41 -1.08 0.00 0.00 175.30 174.49 1dps n GLY 56 N 0.39 0.47 3.63 3.88 0.00 -1.26 -1.76 105.19 110.53 1dps n GLY 56 Ca -0.18 -2.24 -0.46 0.00 0.00 0.00 0.00 46.02 43.14 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 0.25 -1.99 4.61 0.00 -1.26 -2.23 120.51 118.90 1dps n ALA 57 Ca 0.00 0.43 -0.16 0.00 0.00 0.00 0.00 53.44 53.71 1dps n ALA 57 Cb 0.00 -2.15 -0.03 0.00 0.00 0.00 0.00 19.45 17.27 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 1.95 -4.86 0.35 0.00 5.15 -1.26 -4.80 115.26 111.79 1dps n ASN 58 Ca 0.12 0.14 -0.18 0.00 -0.60 0.00 0.00 54.58 54.07 1dps n ASN 58 Cb 0.29 -3.90 -0.09 0.00 -0.53 0.00 0.00 39.78 35.55 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 -0.83 -0.24 1.20 3.57 -1.83 -2.96 116.94 115.85 1dps h PHE 59 Ca -0.36 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.14 1dps h PHE 59 Cb 1.19 0.28 -0.02 0.00 2.79 0.00 0.00 35.95 40.19 1dps h PHE 59 CO 0.44 -0.50 0.09 0.97 -2.23 0.00 0.00 178.31 177.08 1dps h ILE 60 N -0.86 0.95 -0.63 1.41 6.09 -1.92 0.13 117.51 122.68 1dps h ILE 60 Ca -0.08 -0.07 -0.08 0.00 -1.37 0.00 0.00 64.86 63.25 1dps h ILE 60 Cb 0.67 0.72 -0.02 0.00 0.47 0.00 0.00 36.82 38.66 1dps h ILE 60 CO 0.13 0.04 0.07 0.00 -3.07 0.00 0.00 178.15 175.32 1dps h ALA 61 N 1.14 0.93 -0.24 0.18 0.00 -2.00 -1.62 119.26 117.65 1dps h ALA 61 Ca 0.10 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 1dps h ALA 61 Cb 0.06 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1dps h ALA 61 CO -0.10 0.66 -0.24 0.28 0.00 0.00 0.00 179.25 179.84 1dps h VAL 62 N 0.98 1.32 -0.40 0.00 2.07 -1.34 -0.66 116.25 118.22 1dps h VAL 62 Ca 0.19 -1.41 0.06 0.00 0.82 0.00 0.00 66.70 66.36 1dps h VAL 62 Cb 0.47 1.68 -0.06 0.00 -1.52 0.00 0.00 31.29 31.86 1dps h VAL 62 CO 0.02 0.44 0.07 -0.74 0.02 0.00 0.00 177.57 177.38 1dps h HIS 63 N 0.30 0.12 -0.36 1.57 6.17 -0.60 -1.46 115.15 120.89 1dps h HIS 63 Ca 0.04 0.02 -0.16 0.00 0.71 0.00 0.00 60.37 60.98 1dps h HIS 63 Cb 0.80 0.01 -0.00 0.00 2.52 0.00 0.00 27.41 30.74 1dps h HIS 63 CO 0.08 0.00 -0.42 0.93 0.71 0.00 0.00 177.93 179.23 1dps h GLU 64 N 0.20 0.91 -0.47 5.26 5.08 -1.28 -2.86 114.58 121.41 1dps h GLU 64 Ca 0.20 -0.50 0.04 0.00 -1.00 0.00 0.00 59.36 58.10 1dps h GLU 64 Cb 0.24 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 1dps h GLU 64 CO -0.26 1.15 0.24 1.98 -1.00 0.00 0.00 179.01 181.11 1dps h MET 65 N 0.73 0.46 -0.24 2.33 4.05 -0.79 -2.32 114.93 119.15 1dps h MET 65 Ca 0.05 -0.03 -0.05 0.00 -0.28 0.00 0.00 59.70 59.39 1dps h MET 65 Cb 1.01 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.70 1dps h MET 65 CO 0.10 0.31 -0.06 -0.07 0.23 0.00 0.00 176.91 177.41 1dps h LEU 66 N 0.48 0.36 -0.70 3.39 3.38 -1.23 -2.28 115.31 118.70 1dps h LEU 66 Ca 0.20 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 1dps h LEU 66 Cb 0.10 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1dps h LEU 66 CO -0.14 0.47 0.25 -0.78 0.09 0.00 0.00 178.44 178.33 1dps h ASP 67 N 0.37 1.00 -0.34 -0.43 3.58 -1.19 -1.88 116.42 117.53 1dps h ASP 67 Ca 0.08 -0.19 -0.06 0.00 0.42 0.00 0.00 57.03 57.28 1dps h ASP 67 Cb 0.35 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.11 1dps h ASP 67 CO 0.02 0.93 0.03 1.23 -2.88 0.00 0.00 179.24 178.57 1dps h GLY 68 N 1.02 0.72 0.96 -0.78 0.00 -1.04 -2.70 103.07 101.26 1dps h GLY 68 Ca 0.23 -0.44 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 1dps h GLY 68 CO -0.01 0.41 0.16 0.74 0.00 0.00 0.00 176.54 177.84 1dps h PHE 69 N 0.64 0.72 -0.49 5.60 0.04 -0.95 -2.74 116.94 119.77 1dps h PHE 69 Ca 0.14 -0.07 0.08 0.00 2.80 0.00 0.00 57.97 60.92 1dps h PHE 69 Cb 0.35 -0.21 -0.07 0.00 2.20 0.00 0.00 35.95 38.22 1dps h PHE 69 CO 0.02 0.63 0.12 -0.09 -0.60 0.00 0.00 178.31 178.39 1dps h ARG 70 N 0.60 0.25 -0.30 1.51 1.12 -1.04 -0.56 114.38 115.96 1dps h ARG 70 Ca 0.15 -0.02 0.04 0.00 -1.11 0.00 0.00 59.98 59.04 1dps h ARG 70 Cb 0.24 -0.06 -0.03 0.00 -0.01 0.00 0.00 29.97 30.10 1dps h ARG 70 CO -0.01 0.17 0.09 1.15 -3.11 0.00 0.00 179.97 178.26 1dps h THR 71 N 0.26 0.90 -0.54 0.20 2.02 -1.34 -1.23 112.91 113.17 1dps h THR 71 Ca 0.25 -0.07 -0.03 0.00 0.77 0.00 0.00 66.41 67.32 1dps h THR 71 Cb 0.31 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 1dps h THR 71 CO -0.30 0.04 0.21 0.00 0.37 0.00 0.00 175.52 175.84 1dps h ALA 72 N 1.20 0.70 -0.57 6.16 0.00 -1.15 -2.40 119.26 123.21 1dps h ALA 72 Ca 0.14 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1dps h ALA 72 Cb 0.12 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1dps h ALA 72 CO -0.15 0.32 0.34 -0.07 0.00 0.00 0.00 179.25 179.69 1dps h LEU 73 N 0.74 0.55 -1.27 0.00 3.38 -0.74 -1.54 115.31 116.42 1dps h LEU 73 Ca 0.18 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 1dps h LEU 73 Cb 0.21 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1dps h LEU 73 CO -0.01 0.38 -0.35 0.16 0.09 0.00 0.00 178.44 178.70 1dps h ILE 74 N 0.67 1.15 -0.10 1.22 3.07 -1.06 -1.54 117.51 120.93 1dps h ILE 74 Ca 0.23 -1.26 -0.22 0.00 1.55 0.00 0.00 64.86 65.17 1dps h ILE 74 Cb 0.04 1.70 0.01 0.00 -0.27 0.00 0.00 36.82 38.29 1dps h ILE 74 CO -0.11 0.35 -0.81 0.44 -1.05 0.00 0.00 178.15 176.97 1dps h ASP 75 N 0.00 0.75 -0.27 2.16 3.32 -1.04 -2.10 116.42 119.24 1dps h ASP 75 Ca -0.00 -0.51 -0.08 0.00 0.02 0.00 0.00 57.03 56.46 1dps h ASP 75 Cb 0.67 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1dps h ASP 75 CO 0.05 1.29 -0.13 0.45 -1.72 0.00 0.00 179.24 179.18 1dps h HIS 76 N 0.41 0.64 -0.01 4.55 3.86 -1.06 -2.43 115.15 121.11 1dps h HIS 76 Ca -0.06 -0.16 -0.08 0.00 -1.16 0.00 0.00 60.37 58.91 1dps h HIS 76 Cb 1.43 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 29.74 1dps h HIS 76 CO 0.07 0.81 -0.36 1.37 0.86 0.00 0.00 177.93 180.69 1dps h LEU 77 N 0.29 0.03 -0.40 2.43 8.10 -1.30 -1.39 115.31 123.07 1dps h LEU 77 Ca 0.06 -0.01 -0.05 0.00 0.11 0.00 0.00 57.88 57.99 1dps h LEU 77 Cb 0.64 -0.01 -0.02 0.00 -0.44 0.00 0.00 40.66 40.84 1dps h LEU 77 CO 0.04 0.38 0.07 0.44 -4.11 0.00 0.00 178.44 175.26 1dps h ASP 78 N 0.02 0.63 -0.82 0.17 3.32 -1.31 -0.43 116.42 118.00 1dps h ASP 78 Ca 0.00 -0.25 0.03 0.00 0.02 0.00 0.00 57.03 56.82 1dps h ASP 78 Cb 0.64 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 39.98 1dps h ASP 78 CO 0.05 0.72 0.53 0.74 -1.72 0.00 0.00 179.24 179.56 1dps h THR 79 N 0.51 1.14 -0.43 0.35 2.02 -0.90 -0.21 112.91 115.38 1dps h THR 79 Ca 0.12 -0.36 -0.09 0.00 0.77 0.00 0.00 66.41 66.86 1dps h THR 79 Cb 0.36 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 1dps h THR 79 CO 0.01 0.19 -0.08 0.24 0.37 0.00 0.00 175.52 176.25 1dps h MET 80 N 1.04 0.82 -0.54 6.66 2.86 -1.04 -1.82 114.93 122.90 1dps h MET 80 Ca 0.32 -0.30 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 1dps h MET 80 Cb -0.02 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 1dps h MET 80 CO -0.10 0.92 0.23 0.00 1.06 0.00 0.00 176.91 179.02 1dps h ALA 81 N 0.87 0.70 -0.80 6.32 0.00 -0.70 -1.93 119.26 123.73 1dps h ALA 81 Ca 0.11 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1dps h ALA 81 Cb 0.61 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1dps h ALA 81 CO 0.04 0.30 0.45 0.93 0.00 0.00 0.00 179.25 180.96 1dps h GLU 82 N 0.73 1.10 -0.63 0.00 5.08 -0.94 -2.20 114.58 117.72 1dps h GLU 82 Ca 0.18 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1dps h GLU 82 Cb 0.18 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1dps h GLU 82 CO -0.02 0.81 0.32 -0.09 -1.00 0.00 0.00 179.01 179.03 1dps h ARG 83 N 1.10 0.90 -0.38 2.33 9.65 -1.06 -0.86 114.38 126.06 1dps h ARG 83 Ca 0.28 -0.12 0.02 0.00 -1.10 0.00 0.00 59.98 59.06 1dps h ARG 83 Cb 0.01 -0.17 -0.03 0.00 -1.39 0.00 0.00 29.97 28.40 1dps h ARG 83 CO -0.05 0.70 0.22 0.00 2.80 0.00 0.00 179.97 183.64 1dps h ALA 84 N 1.15 0.47 0.00 2.80 0.00 -0.94 -2.35 119.26 120.40 1dps h ALA 84 Ca 0.22 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 1dps h ALA 84 Cb 0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1dps h ALA 84 CO -0.03 -0.13 -0.50 -0.39 0.00 0.00 0.00 179.25 178.20 1dps h VAL 85 N 0.44 1.28 -0.45 0.00 -1.51 -1.19 -1.00 116.25 113.82 1dps h VAL 85 Ca 0.15 -1.75 -0.02 0.00 -1.23 0.00 0.00 66.70 63.85 1dps h VAL 85 Cb 0.02 1.97 -0.02 0.00 -2.13 0.00 0.00 31.29 31.12 1dps h VAL 85 CO -0.08 0.49 0.19 1.56 -1.23 0.00 0.00 177.57 178.51 1dps h GLN 86 N 0.00 0.63 -0.20 5.19 4.20 -0.79 -1.36 115.11 122.79 1dps h GLN 86 Ca -0.00 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.62 1dps h GLN 86 Cb 0.93 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.58 1dps h GLN 86 CO 0.06 0.52 0.00 1.28 -0.67 0.00 0.00 178.83 180.02 1dps n LEU 87 N -4.37 1.09 0.00 1.46 4.77 -0.92 -4.89 117.00 114.14 1dps n LEU 87 Ca 0.03 -0.54 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 1dps n LEU 87 Cb 0.14 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1dps n LEU 87 CO 0.37 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 1dps n GLY 88 N 0.83 0.75 3.25 -0.72 0.00 -0.51 -4.85 105.19 103.94 1dps n GLY 88 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.21 0.18 3.27 -0.02 0.00 -0.41 -1.09 105.19 104.90 1dps n GLY 89 Ca 0.00 -1.95 -0.35 0.00 0.00 0.00 0.00 46.02 43.73 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 -2.76 3.06 0.10 1.61 1.01 -1.26 -4.18 120.40 117.98 1dps s VAL 90 Ca 0.57 -0.60 -0.30 0.00 0.00 0.00 0.00 61.98 61.65 1dps s VAL 90 Cb -0.03 -2.37 -0.06 0.00 0.00 0.00 0.00 36.38 33.92 1dps s VAL 90 CO 0.39 0.45 1.16 0.00 0.00 0.00 0.00 175.10 177.10 1dps s ALA 91 N 1.41 3.38 -0.26 5.51 0.00 -1.26 -4.95 121.76 125.59 1dps s ALA 91 Ca 0.05 0.83 -0.04 0.00 0.00 0.00 0.00 51.96 52.80 1dps s ALA 91 Cb -0.14 -3.41 0.01 0.00 0.00 0.00 0.00 23.12 19.58 1dps s ALA 91 CO -0.05 -0.35 0.00 -0.51 0.00 0.00 0.00 175.76 174.84 1dps s LEU 92 N 0.52 3.37 0.00 0.00 1.43 -1.26 -4.96 118.68 117.78 1dps s LEU 92 Ca 0.55 -0.65 0.14 0.00 -1.03 0.00 0.00 54.13 53.14 1dps s LEU 92 Cb -0.29 -1.78 0.23 0.00 0.03 0.00 0.00 46.19 44.37 1dps s LEU 92 CO 0.32 -0.12 1.05 0.61 0.23 0.00 0.00 176.35 178.44 1dps n GLY 93 N 4.79 0.80 3.90 -3.19 0.00 -1.26 -4.54 105.19 105.68 1dps n GLY 93 Ca -0.16 -0.45 -0.28 0.00 0.00 0.00 0.00 46.02 45.13 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 4.89 0.27 2.61 -4.23 -1.26 -4.92 115.64 113.00 1dps s THR 94 Ca 0.18 0.29 0.00 0.00 -1.18 0.00 0.00 61.69 60.98 1dps s THR 94 Cb 0.20 -3.84 0.27 0.00 1.34 0.00 0.00 72.50 70.47 1dps s THR 94 CO -0.09 -0.81 1.83 0.74 -0.54 0.00 0.00 174.62 175.75 1dps h THR 95 N 0.34 0.92 -0.44 3.99 2.02 -1.99 -1.50 112.91 116.24 1dps h THR 95 Ca -0.47 -0.33 -0.02 0.00 0.77 0.00 0.00 66.41 66.36 1dps h THR 95 Cb 1.20 -0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 1dps h THR 95 CO 0.62 0.18 0.19 1.56 0.37 0.00 0.00 175.52 178.44 1dps h GLN 96 N 0.96 0.65 -0.26 6.66 7.50 -1.99 0.09 115.11 128.72 1dps h GLN 96 Ca 0.48 -0.11 -0.05 0.00 0.50 0.00 0.00 58.65 59.47 1dps h GLN 96 Cb 0.46 -0.11 -0.01 0.00 0.05 0.00 0.00 27.48 27.87 1dps h GLN 96 CO -0.26 0.58 -0.02 0.28 -1.50 0.00 0.00 178.83 177.91 1dps h VAL 97 N 0.57 1.26 -0.19 -0.54 2.07 -1.84 -2.13 116.25 115.46 1dps h VAL 97 Ca 0.15 -0.96 -0.01 0.00 0.82 0.00 0.00 66.70 66.70 1dps h VAL 97 Cb 0.16 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1dps h VAL 97 CO -0.02 0.30 0.09 0.40 0.02 0.00 0.00 177.57 178.37 1dps h ILE 98 N 0.24 1.13 -0.90 4.57 2.04 -1.17 0.54 117.51 123.96 1dps h ILE 98 Ca 0.07 -0.38 0.02 0.00 1.00 0.00 0.00 64.86 65.58 1dps h ILE 98 Cb 0.45 1.03 -0.05 0.00 -0.74 0.00 0.00 36.82 37.52 1dps h ILE 98 CO 0.02 0.13 0.59 -1.13 0.00 0.00 0.00 178.15 177.76 1dps h ASN 99 N 0.18 1.01 0.71 1.72 -0.73 -0.99 0.14 115.58 117.61 1dps h ASN 99 Ca 0.07 -0.02 -0.17 0.00 1.87 0.00 0.00 56.30 58.05 1dps h ASN 99 Cb 0.12 -0.24 -0.02 0.00 0.27 0.00 0.00 38.32 38.45 1dps h ASN 99 CO -0.01 0.71 -0.78 -1.28 -0.37 0.00 0.00 177.43 175.70 1dps h SER 100 N 1.18 0.07 0.00 1.15 0.87 -1.07 -3.37 113.55 112.37 1dps h SER 100 Ca 0.35 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.86 1dps h SER 100 Cb -0.07 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 1dps h SER 100 CO -0.09 0.82 -0.43 0.29 -0.53 0.00 0.00 176.83 176.88 1dps n LYS 101 N -3.65 4.02 -1.75 2.24 5.02 0.15 -5.04 118.16 119.16 1dps n LYS 101 Ca -0.01 -0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.86 1dps n LYS 101 Cb 0.75 -0.92 -0.01 0.00 -0.02 0.00 0.00 35.03 34.82 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 -1.22 1.19 1.59 -0.18 5.66 0.48 -4.89 114.28 116.92 1dps n THR 102 Ca 0.02 -0.30 0.14 0.00 -3.05 0.00 0.00 64.05 60.86 1dps n THR 102 Cb 0.14 -1.94 0.62 0.00 -1.55 0.00 0.00 70.33 67.60 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 1.38 -3.33 1.09 -0.04 -1.26 -4.88 135.00 129.81 1dps n PRO 103 Ca 0.07 -0.66 -0.38 0.00 -0.04 0.00 0.00 63.50 62.50 1dps n PRO 103 Cb 0.37 -1.49 -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 -2.07 4.25 0.31 1.53 1.43 -1.26 -5.05 118.68 117.82 1dps s LEU 104 Ca 0.39 0.75 -0.29 0.00 -1.03 0.00 0.00 54.13 53.94 1dps s LEU 104 Cb 0.21 -2.66 -0.11 0.00 0.03 0.00 0.00 46.19 43.67 1dps s LEU 104 CO 0.37 -0.02 1.48 -0.75 0.23 0.00 0.00 176.35 177.66 1dps s LYS 105 N 0.80 4.19 -0.12 1.70 2.20 -1.26 -4.87 119.74 122.38 1dps s LYS 105 Ca 0.24 2.46 -0.39 0.00 -0.36 0.00 0.00 55.97 57.92 1dps s LYS 105 Cb -0.15 -3.03 -0.17 0.00 -1.51 0.00 0.00 37.83 32.97 1dps s LYS 105 CO 0.09 -0.49 1.51 0.45 -0.36 0.00 0.00 175.35 176.56 1dps n SER 106 N 1.51 1.80 -4.72 1.43 2.88 -1.26 -4.88 113.62 110.38 1dps n SER 106 Ca 0.04 1.11 -0.42 0.00 -1.33 0.00 0.00 58.87 58.28 1dps n SER 106 Cb 0.39 -1.13 -0.03 0.00 -0.75 0.00 0.00 64.21 62.70 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 1.94 3.28 0.20 0.66 5.04 -1.26 -4.97 117.35 122.25 1dps s TYR 107 Ca 0.92 1.11 -0.32 0.00 -2.44 0.00 0.00 57.07 56.34 1dps s TYR 107 Cb -1.07 -3.61 -0.13 0.00 0.35 0.00 0.00 41.96 37.51 1dps s TYR 107 CO 0.58 -2.02 1.67 -0.35 -1.34 0.00 0.00 175.55 174.09 1dps n PRO 108 N 3.40 2.60 0.00 4.97 -0.04 -1.26 -4.91 135.00 139.76 1dps n PRO 108 Ca 0.09 0.94 0.12 0.00 -0.04 0.00 0.00 63.50 64.61 1dps n PRO 108 Cb 0.43 -2.75 0.21 0.00 -0.04 0.00 0.00 33.50 31.35 1dps n PRO 108 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1dps n LEU 109 N 3.66 2.46 -0.34 1.53 4.77 -1.26 -4.37 117.00 123.44 1dps n LEU 109 Ca 0.16 -0.82 0.09 0.00 -0.03 0.00 0.00 56.01 55.40 1dps n LEU 109 Cb 0.33 -0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.59 1dps n LEU 109 CO 0.64 0.41 0.61 -0.90 -1.33 0.00 0.00 177.39 176.82 1dps n ASP 110 N 0.85 2.84 -4.80 -1.43 5.75 -1.26 -5.02 116.55 113.48 1dps n ASP 110 Ca 0.15 -3.00 -0.25 0.00 -0.01 0.00 0.00 54.79 51.68 1dps n ASP 110 Cb 0.52 -0.44 -0.05 0.00 -1.03 0.00 0.00 41.12 40.11 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 -2.74 4.46 0.00 2.12 -4.36 -1.26 -5.03 121.20 114.39 1dps s ILE 111 Ca 0.34 -1.15 0.00 0.00 -0.26 0.00 0.00 60.65 59.58 1dps s ILE 111 Cb 0.28 -3.30 0.00 0.00 1.25 0.00 0.00 42.46 40.69 1dps s ILE 111 CO 0.05 -0.15 0.00 1.41 0.24 0.00 0.00 174.94 176.49 1dps n HIS 112 N -0.50 0.00 -1.66 1.37 8.25 -1.26 -4.83 115.22 116.60 1dps n HIS 112 Ca -0.08 0.00 -0.46 0.00 -0.26 0.00 0.00 57.72 56.91 1dps n HIS 112 Cb 0.55 0.00 -0.04 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 -1.50 2.75 -0.28 0.41 5.15 -1.26 -0.84 115.26 119.69 1dps n ASN 113 Ca 0.00 1.11 0.09 0.00 -0.60 0.00 0.00 54.58 55.18 1dps n ASN 113 Cb 0.08 -1.39 0.24 0.00 -0.53 0.00 0.00 39.78 38.18 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 0.58 -0.57 3.44 2.07 -1.65 -1.06 116.25 122.41 1dps h VAL 114 Ca -0.45 -0.15 -0.06 0.00 0.82 0.00 0.00 66.70 66.86 1dps h VAL 114 Cb 1.27 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 1dps h VAL 114 CO 0.83 0.08 0.12 1.56 0.02 0.00 0.00 177.57 180.17 1dps h GLN 115 N 0.44 0.89 -0.28 1.57 1.08 -1.89 0.24 115.11 117.16 1dps h GLN 115 Ca 0.48 -0.20 -0.08 0.00 -1.45 0.00 0.00 58.65 57.41 1dps h GLN 115 Cb 0.82 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 28.12 1dps h GLN 115 CO -0.46 0.81 -0.12 -0.44 -0.95 0.00 0.00 178.83 177.67 1dps h ASP 116 N 0.85 0.60 -0.77 1.46 3.32 -1.59 -2.48 116.42 117.81 1dps h ASP 116 Ca 0.18 -0.40 -0.01 0.00 0.02 0.00 0.00 57.03 56.82 1dps h ASP 116 Cb 0.34 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.69 1dps h ASP 116 CO 0.00 0.86 0.45 0.45 -1.72 0.00 0.00 179.24 179.29 1dps h HIS 117 N 0.33 1.03 -0.90 4.55 3.86 -1.03 -2.31 115.15 120.68 1dps h HIS 117 Ca 0.06 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.28 1dps h HIS 117 Cb 0.63 -0.34 -0.05 0.00 1.06 0.00 0.00 27.41 28.72 1dps h HIS 117 CO 0.06 0.70 0.59 -0.07 0.86 0.00 0.00 177.93 180.08 1dps h LEU 118 N 1.06 1.02 -0.39 2.43 3.38 -0.80 0.02 115.31 122.02 1dps h LEU 118 Ca 0.27 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.15 1dps h LEU 118 Cb -0.01 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1dps h LEU 118 CO -0.05 0.74 -0.03 0.11 0.09 0.00 0.00 178.44 179.30 1dps h LYS 119 N 1.21 0.71 -0.71 1.13 1.57 -1.20 0.12 116.57 119.40 1dps h LYS 119 Ca 0.33 -0.24 -0.05 0.00 -1.87 0.00 0.00 60.65 58.82 1dps h LYS 119 Cb -0.13 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.09 1dps h LYS 119 CO -0.08 0.82 0.26 0.93 -0.57 0.00 0.00 179.45 180.81 1dps h GLU 120 N 0.53 1.07 -0.44 3.15 4.39 -1.04 -2.23 114.58 120.01 1dps h GLU 120 Ca 0.11 -0.21 -0.12 0.00 0.34 0.00 0.00 59.36 59.48 1dps h GLU 120 Cb 0.52 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 1dps h GLU 120 CO 0.03 0.90 -0.21 -0.07 -1.16 0.00 0.00 179.01 178.50 1dps h LEU 121 N 1.02 0.94 -0.87 1.33 3.38 -0.88 -2.86 115.31 117.37 1dps h LEU 121 Ca 0.23 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1dps h LEU 121 Cb 0.24 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 1dps h LEU 121 CO -0.01 1.14 0.52 0.00 0.09 0.00 0.00 178.44 180.18 1dps h ALA 122 N 0.84 1.12 -0.46 1.53 0.00 -0.53 0.21 119.26 121.97 1dps h ALA 122 Ca 0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1dps h ALA 122 Cb 0.78 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1dps h ALA 122 CO 0.06 0.58 0.24 -0.44 0.00 0.00 0.00 179.25 179.69 1dps h ASP 123 N 1.20 0.59 -0.11 0.00 3.32 -1.39 -0.82 116.42 119.22 1dps h ASP 123 Ca 0.31 -0.11 -0.22 0.00 0.02 0.00 0.00 57.03 57.04 1dps h ASP 123 Cb -0.04 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 39.36 1dps h ASP 123 CO -0.06 0.53 -0.76 0.03 -1.72 0.00 0.00 179.24 177.27 1dps h ARG 124 N 0.60 0.76 -0.59 3.56 3.08 -1.22 -2.46 114.38 118.10 1dps h ARG 124 Ca 0.16 -0.61 -0.04 0.00 0.07 0.00 0.00 59.98 59.56 1dps h ARG 124 Cb 0.09 0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 1dps h ARG 124 CO -0.02 1.22 0.21 1.88 -1.07 0.00 0.00 179.97 182.19 1dps h TYR 125 N 0.52 0.88 -0.40 3.04 -1.99 -0.54 -2.52 116.97 115.96 1dps h TYR 125 Ca -0.05 -0.06 -0.10 0.00 2.00 0.00 0.00 58.73 60.53 1dps h TYR 125 Cb 1.38 -0.27 -0.02 0.00 2.00 0.00 0.00 36.73 39.82 1dps h TYR 125 CO 0.08 0.70 -0.16 0.00 -0.00 0.00 0.00 178.16 178.78 1dps h ALA 126 N 1.38 0.99 -0.06 3.88 0.00 -1.01 0.25 119.26 124.69 1dps h ALA 126 Ca 0.20 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1dps h ALA 126 Cb 0.20 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1dps h ALA 126 CO -0.01 0.60 0.01 0.82 0.00 0.00 0.00 179.25 180.66 1dps h ILE 127 N 0.65 0.97 -0.21 0.00 1.08 -1.08 -0.05 117.51 118.87 1dps h ILE 127 Ca 0.10 -0.01 -0.05 0.00 -0.39 0.00 0.00 64.86 64.51 1dps h ILE 127 Cb 0.63 0.94 -0.01 0.00 -3.07 0.00 0.00 36.82 35.31 1dps h ILE 127 CO 0.04 0.01 -0.06 0.58 -0.69 0.00 0.00 178.15 178.03 1dps h VAL 128 N 0.03 1.29 -0.04 1.67 2.07 -1.19 -2.34 116.25 117.73 1dps h VAL 128 Ca 0.03 -1.07 0.02 0.00 0.82 0.00 0.00 66.70 66.49 1dps h VAL 128 Cb 0.02 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 1dps h VAL 128 CO -0.04 0.33 -0.05 0.00 0.02 0.00 0.00 177.57 177.83 1dps h ALA 129 N 0.73 -0.01 -0.31 1.67 0.00 -0.42 -0.52 119.26 120.41 1dps h ALA 129 Ca 0.05 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1dps h ALA 129 Cb 0.53 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1dps h ALA 129 CO 0.02 -0.53 -0.19 -0.91 0.00 0.00 0.00 179.25 177.65 1dps h ASN 130 N -0.06 0.57 -0.17 0.00 2.35 -1.05 -1.70 115.58 115.52 1dps h ASN 130 Ca 0.04 -0.18 -0.08 0.00 -0.55 0.00 0.00 56.30 55.53 1dps h ASN 130 Cb 0.11 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.33 1dps h ASN 130 CO -0.08 0.77 -0.20 -0.78 -1.65 0.00 0.00 177.43 175.48 1dps h ASP 131 N 0.51 0.47 0.15 5.81 3.58 -1.18 -2.68 116.42 123.08 1dps h ASP 131 Ca 0.08 -0.50 -0.09 0.00 0.42 0.00 0.00 57.03 56.94 1dps h ASP 131 Cb 0.62 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.52 1dps h ASP 131 CO 0.04 0.88 -0.32 1.62 -2.88 0.00 0.00 179.24 178.58 1dps h VAL 132 N 0.07 1.27 -0.53 2.25 3.04 -1.03 -0.56 116.25 120.76 1dps h VAL 132 Ca 0.02 -1.29 -0.08 0.00 -1.01 0.00 0.00 66.70 64.34 1dps h VAL 132 Cb 0.76 1.52 -0.02 0.00 -2.01 0.00 0.00 31.29 31.54 1dps h VAL 132 CO 0.05 0.39 0.02 -0.09 -1.01 0.00 0.00 177.57 176.93 1dps h ARG 133 N 0.23 0.87 -0.37 4.17 2.43 -1.27 -2.50 114.38 117.94 1dps h ARG 133 Ca 0.03 -0.24 -0.14 0.00 -0.81 0.00 0.00 59.98 58.82 1dps h ARG 133 Cb 0.68 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 1dps h ARG 133 CO 0.05 0.86 -0.33 -0.22 -1.51 0.00 0.00 179.97 178.82 1dps h LYS 134 N 0.82 0.88 -0.62 0.20 3.64 -1.12 -3.11 116.57 117.27 1dps h LYS 134 Ca 0.16 -0.45 0.12 0.00 -1.27 0.00 0.00 60.65 59.21 1dps h LYS 134 Cb 0.45 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.25 1dps h LYS 134 CO 0.02 1.10 0.42 0.00 -2.27 0.00 0.00 179.45 178.72 1dps h ALA 135 N 0.77 2.14 -0.28 5.00 0.00 -0.69 -2.18 119.26 124.02 1dps h ALA 135 Ca 0.06 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.01 1dps h ALA 135 Cb 0.92 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 1dps h ALA 135 CO 0.08 -0.30 0.01 0.82 0.00 0.00 0.00 179.25 179.87 1dps h ILE 136 N 0.32 0.81 0.00 0.00 2.04 -1.38 -1.78 117.51 117.52 1dps h ILE 136 Ca 0.29 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 66.12 1dps h ILE 136 Cb 0.72 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 1dps h ILE 136 CO -0.07 0.02 0.00 1.23 0.00 0.00 0.00 178.15 179.33 1dps h GLY 137 N 0.10 0.00 0.28 5.37 0.00 -1.53 -3.03 103.07 104.26 1dps h GLY 137 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1dps h GLY 137 CO -0.21 0.00 -1.23 1.18 0.00 0.00 0.00 176.54 176.28 1dps n GLU 138 N -2.86 0.28 -2.34 4.80 1.02 -0.73 -4.86 120.64 115.94 1dps n GLU 138 Ca -0.00 -0.05 -0.42 0.00 -0.02 0.00 0.00 57.16 56.67 1dps n GLU 138 Cb 0.20 -1.55 -0.02 0.00 -0.02 0.00 0.00 31.44 30.05 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 -3.20 2.90 0.27 0.62 0.00 -0.84 -4.87 121.76 116.65 1dps s ALA 139 Ca 0.03 -0.37 0.10 0.00 0.00 0.00 0.00 51.96 51.71 1dps s ALA 139 Cb 0.15 -4.03 0.37 0.00 0.00 0.00 0.00 23.12 19.61 1dps s ALA 139 CO 0.85 -2.69 1.62 0.87 0.00 0.00 0.00 175.76 176.41 1dps h LYS 140 N 11.12 0.04 -6.27 0.00 1.79 -1.89 -3.42 116.57 117.93 1dps h LYS 140 Ca -0.27 -0.02 -0.57 0.00 -2.18 0.00 0.00 60.65 57.61 1dps h LYS 140 Cb 1.10 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.72 1dps h LYS 140 CO 1.13 0.62 1.00 0.34 -1.08 0.00 0.00 179.45 181.46 1dps s ASP 141 N -6.86 6.67 0.18 0.86 2.15 -1.26 -4.92 116.67 113.49 1dps s ASP 141 Ca -0.02 1.55 -0.13 0.00 0.43 0.00 0.00 52.55 54.38 1dps s ASP 141 Cb 0.13 -2.54 0.16 0.00 -0.30 0.00 0.00 42.92 40.37 1dps s ASP 141 CO 0.77 -1.02 1.78 0.44 -0.17 0.00 0.00 175.17 176.96 1dps h ASP 142 N 9.39 0.32 -0.76 -0.34 3.32 -2.00 -0.94 116.42 125.42 1dps h ASP 142 Ca -0.29 0.04 0.01 0.00 0.02 0.00 0.00 57.03 56.81 1dps h ASP 142 Cb 1.12 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.61 1dps h ASP 142 CO 1.00 0.22 0.50 0.44 -1.72 0.00 0.00 179.24 179.68 1dps h ASP 143 N 0.47 0.86 -0.52 6.45 3.32 -1.96 -1.72 116.42 123.32 1dps h ASP 143 Ca 0.23 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.24 1dps h ASP 143 Cb 0.18 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 1dps h ASP 143 CO -0.18 0.62 0.23 0.74 -1.72 0.00 0.00 179.24 178.92 1dps h THR 144 N 1.01 1.21 -0.85 0.35 2.02 -1.83 -1.70 112.91 113.12 1dps h THR 144 Ca 0.28 -0.62 0.02 0.00 0.77 0.00 0.00 66.41 66.87 1dps h THR 144 Cb -0.10 0.65 -0.05 0.00 -1.74 0.00 0.00 68.15 66.92 1dps h THR 144 CO -0.07 0.24 0.56 0.00 0.37 0.00 0.00 175.52 176.62 1dps h ALA 145 N 1.07 1.44 -0.41 6.16 0.00 -0.74 -0.61 119.26 126.17 1dps h ALA 145 Ca 0.17 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1dps h ALA 145 Cb 0.16 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1dps h ALA 145 CO -0.02 0.49 0.04 0.22 0.00 0.00 0.00 179.25 179.98 1dps h ASP 146 N 1.10 0.68 -0.29 0.00 3.58 -0.99 -0.32 116.42 120.18 1dps h ASP 146 Ca 0.33 -0.28 0.00 0.00 0.42 0.00 0.00 57.03 57.50 1dps h ASP 146 Cb -0.03 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 40.82 1dps h ASP 146 CO -0.09 0.79 0.19 0.40 -2.88 0.00 0.00 179.24 177.65 1dps h ILE 147 N 0.54 1.07 -0.26 2.25 2.04 -0.70 -2.19 117.51 120.27 1dps h ILE 147 Ca 0.12 -0.13 -0.06 0.00 1.00 0.00 0.00 64.86 65.79 1dps h ILE 147 Cb 0.42 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1dps h ILE 147 CO 0.01 0.07 -0.08 -0.07 0.00 0.00 0.00 178.15 178.08 1dps h LEU 148 N 0.39 0.39 -0.50 1.44 3.38 -0.94 -2.42 115.31 117.05 1dps h LEU 148 Ca 0.11 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1dps h LEU 148 Cb -0.04 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1dps h LEU 148 CO -0.03 0.52 0.08 0.74 0.09 0.00 0.00 178.44 179.84 1dps h THR 149 N 0.39 1.25 -0.67 0.22 2.02 -0.64 0.39 112.91 115.87 1dps h THR 149 Ca 0.08 -0.94 -0.03 0.00 0.77 0.00 0.00 66.41 66.29 1dps h THR 149 Cb 0.40 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 67.66 1dps h THR 149 CO 0.02 0.34 0.30 0.00 0.37 0.00 0.00 175.52 176.54 1dps h ALA 150 N 0.97 0.87 -0.29 6.16 0.00 -1.19 -1.04 119.26 124.74 1dps h ALA 150 Ca 0.15 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1dps h ALA 150 Cb 0.40 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1dps h ALA 150 CO 0.01 0.46 0.08 0.00 0.00 0.00 0.00 179.25 179.80 1dps h ALA 151 N 1.13 0.38 -0.46 0.00 0.00 -1.30 -2.91 119.26 116.10 1dps h ALA 151 Ca 0.23 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1dps h ALA 151 Cb 0.16 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1dps h ALA 151 CO -0.02 0.03 0.24 1.03 0.00 0.00 0.00 179.25 180.52 1dps h SER 152 N 0.31 0.59 -0.91 0.00 0.87 -0.73 -0.70 113.55 112.97 1dps h SER 152 Ca 0.09 -0.11 0.09 0.00 -1.23 0.00 0.00 61.79 60.64 1dps h SER 152 Cb 0.26 -0.15 -0.07 0.00 -0.44 0.00 0.00 62.40 62.00 1dps h SER 152 CO -0.00 0.53 0.56 0.03 -0.53 0.00 0.00 176.83 177.42 1dps h ARG 153 N 0.61 0.92 -0.15 2.24 3.08 -1.15 -0.25 114.38 119.68 1dps h ARG 153 Ca 0.16 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 60.07 1dps h ARG 153 Cb 0.08 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 29.92 1dps h ARG 153 CO -0.02 0.61 -0.25 -0.44 -1.07 0.00 0.00 179.97 178.79 1dps h ASP 154 N 0.95 0.48 -0.85 7.04 3.32 -1.24 -2.45 116.42 123.67 1dps h ASP 154 Ca 0.43 -0.54 0.05 0.00 0.02 0.00 0.00 57.03 56.99 1dps h ASP 154 Cb 0.33 -0.14 -0.06 0.00 0.22 0.00 0.00 39.33 39.68 1dps h ASP 154 CO -0.23 0.93 0.53 -0.07 -1.72 0.00 0.00 179.24 178.68 1dps h LEU 155 N 0.05 0.84 -0.73 1.55 -0.00 -0.82 0.12 115.31 116.32 1dps h LEU 155 Ca 0.01 0.01 -0.10 0.00 -0.00 0.00 0.00 57.88 57.80 1dps h LEU 155 Cb 0.83 -0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 41.31 1dps h LEU 155 CO 0.06 0.55 -0.11 0.44 -0.00 0.00 0.00 178.44 179.38 1dps h ASP 156 N 0.98 0.85 -0.49 -0.43 5.19 -1.07 0.47 116.42 121.92 1dps h ASP 156 Ca 0.36 -0.26 -0.13 0.00 -0.62 0.00 0.00 57.03 56.38 1dps h ASP 156 Cb 0.13 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.40 1dps h ASP 156 CO -0.16 0.98 -0.19 0.50 -3.12 0.00 0.00 179.24 177.24 1dps h LYS 157 N 0.77 1.00 -0.40 3.56 3.64 -0.85 -2.31 116.57 121.99 1dps h LYS 157 Ca 0.13 -0.42 -0.07 0.00 -1.27 0.00 0.00 60.65 59.02 1dps h LYS 157 Cb 0.62 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 1dps h LYS 157 CO 0.04 1.10 -0.01 0.74 -2.27 0.00 0.00 179.45 179.04 1dps h PHE 158 N 0.87 0.78 -0.47 1.91 0.04 -0.50 -1.02 116.94 118.54 1dps h PHE 158 Ca 0.12 -0.14 0.02 0.00 2.80 0.00 0.00 57.97 60.76 1dps h PHE 158 Cb 0.77 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 38.69 1dps h PHE 158 CO 0.05 0.80 0.29 1.25 -0.60 0.00 0.00 178.31 180.10 1dps h LEU 159 N 0.53 0.47 -0.12 1.54 5.85 -0.87 -0.98 115.31 121.73 1dps h LEU 159 Ca 0.11 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.84 1dps h LEU 159 Cb 0.50 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1dps h LEU 159 CO 0.02 0.34 0.06 -0.25 -0.34 0.00 0.00 178.44 178.27 1dps h TRP 160 N 0.58 0.12 -1.00 1.25 7.01 -1.23 -0.65 115.95 122.03 1dps h TRP 160 Ca 0.19 0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.22 1dps h TRP 160 Cb -0.00 -0.04 -0.06 0.00 -2.10 0.00 0.00 29.16 26.97 1dps h TRP 160 CO -0.06 0.07 0.66 0.74 -2.79 0.00 0.00 178.44 177.05 1dps h PHE 161 N 0.14 1.23 0.06 2.65 -1.00 -0.86 0.13 116.94 119.29 1dps h PHE 161 Ca 0.05 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.85 1dps h PHE 161 Cb 0.00 -0.41 0.00 0.00 3.61 0.00 0.00 35.95 39.15 1dps h PHE 161 CO -0.08 0.73 -0.03 0.82 -1.61 0.00 0.00 178.31 178.13 1dps h ILE 162 N 1.29 1.13 -0.56 -0.55 2.04 -0.83 -3.02 117.51 117.01 1dps h ILE 162 Ca 0.39 -0.67 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 1dps h ILE 162 Cb -0.04 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 1dps h ILE 162 CO -0.11 0.17 0.23 -0.33 0.00 0.00 0.00 178.15 178.11 1dps h GLU 163 N -0.39 0.80 0.00 2.37 5.08 -0.95 -2.26 114.58 119.23 1dps h GLU 163 Ca -0.01 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1dps h GLU 163 Cb 0.34 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1dps h GLU 163 CO 0.01 0.65 0.00 0.00 -1.00 0.00 0.00 179.01 178.68 1dps n ASN 165 N -2.64 1.27 -4.71 0.00 3.02 -0.85 -4.87 115.26 106.49 1dps n ASN 165 Ca 0.00 -1.04 -0.42 0.00 -0.03 0.00 0.00 54.58 53.10 1dps n ASN 165 Cb 0.18 0.26 -0.03 0.00 -0.61 0.00 0.00 39.78 39.58 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 -2.53 4.88 -2.00 2.41 1.01 -0.70 -5.01 121.20 119.26 1dps s ILE 166 Ca 0.22 1.95 0.13 0.00 0.00 0.00 0.00 60.65 62.95 1dps s ILE 166 Cb 0.19 -4.27 0.38 0.00 0.01 0.00 0.00 42.46 38.76 1dps s ILE 166 CO 0.55 0.14 1.22 -0.62 0.00 0.00 0.00 174.94 176.23