#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 3.78 0.25 2.23 1.43 0.02 -5.01 118.68 121.38 1dps s LEU 15 Ca 0.00 1.72 -0.30 0.00 -1.03 0.00 0.00 54.13 54.52 1dps s LEU 15 Cb 0.00 -4.53 -0.09 0.00 0.03 0.00 0.00 46.19 41.59 1dps s LEU 15 CO 0.00 -0.60 1.30 -0.47 0.23 0.00 0.00 176.35 176.81 1dps s TYR 16 N -2.30 3.21 -0.03 0.29 5.04 -1.26 -4.55 117.35 117.74 1dps s TYR 16 Ca 0.62 1.30 -0.29 0.00 -2.44 0.00 0.00 57.07 56.27 1dps s TYR 16 Cb -0.12 -3.61 0.06 0.00 0.35 0.00 0.00 41.96 38.64 1dps s TYR 16 CO 0.23 -1.83 0.63 -0.08 -1.34 0.00 0.00 175.55 173.16 1dps s THR 17 N -0.35 0.01 -0.63 4.34 -1.32 -1.26 -5.00 115.64 111.43 1dps s THR 17 Ca 0.54 -0.06 0.24 0.00 -1.21 0.00 0.00 61.69 61.19 1dps s THR 17 Cb -0.37 -0.95 0.25 0.00 -1.51 0.00 0.00 72.50 69.91 1dps s THR 17 CO 0.43 -0.04 1.72 0.54 -2.21 0.00 0.00 174.62 175.06 1dps n ARG 18 N 0.89 0.18 -1.66 7.08 1.74 -1.26 -4.75 116.66 118.88 1dps n ARG 18 Ca -0.19 0.32 -0.44 0.00 -0.77 0.00 0.00 57.85 56.77 1dps n ARG 18 Cb 0.57 -1.80 -0.04 0.00 -1.02 0.00 0.00 32.46 30.18 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 -2.13 3.88 -1.40 0.55 2.85 -1.26 -4.90 115.26 112.85 1dps n ASN 19 Ca 0.03 0.89 0.03 0.00 -0.11 0.00 0.00 54.58 55.42 1dps n ASN 19 Cb 0.29 -1.48 0.24 0.00 1.24 0.00 0.00 39.78 40.07 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 7.47 3.90 -4.77 1.20 5.75 -1.26 -4.92 116.55 123.92 1dps n ASP 20 Ca 0.22 -2.61 -0.41 0.00 -0.01 0.00 0.00 54.79 51.97 1dps n ASP 20 Cb 0.37 -0.62 -0.01 0.00 -1.03 0.00 0.00 41.12 39.83 1dps n ASP 20 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1dps s VAL 21 N -2.09 2.14 0.74 2.12 1.01 -1.26 -4.92 120.40 118.14 1dps s VAL 21 Ca 0.34 0.13 -0.15 0.00 0.00 0.00 0.00 61.98 62.29 1dps s VAL 21 Cb 0.26 -3.08 0.02 0.00 0.00 0.00 0.00 36.38 33.58 1dps s VAL 21 CO 0.10 0.03 1.01 -1.54 0.00 0.00 0.00 175.10 174.69 1dps n SER 22 N 1.14 0.58 -0.25 3.32 3.41 -1.26 -4.72 113.62 115.84 1dps n SER 22 Ca 0.03 0.65 0.01 0.00 -0.26 0.00 0.00 58.87 59.30 1dps n SER 22 Cb 0.39 -1.43 0.14 0.00 -0.26 0.00 0.00 64.21 63.05 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 -0.39 0.50 -0.20 4.04 5.19 -1.98 0.10 116.42 123.69 1dps h ASP 23 Ca -0.47 0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.00 1dps h ASP 23 Cb 1.32 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 40.79 1dps h ASP 23 CO 0.47 0.29 0.13 -1.28 -3.12 0.00 0.00 179.24 175.72 1dps h SER 24 N 0.64 0.22 0.03 6.45 0.87 -2.00 -0.86 113.55 118.90 1dps h SER 24 Ca 0.35 -0.01 -0.13 0.00 -1.23 0.00 0.00 61.79 60.77 1dps h SER 24 Cb 0.35 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 1dps h SER 24 CO -0.26 0.16 -0.43 -0.08 -0.53 0.00 0.00 176.83 175.70 1dps h GLU 25 N 0.26 0.50 -0.16 2.24 4.81 -1.81 -2.04 114.58 118.38 1dps h GLU 25 Ca 0.07 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 1dps h GLU 25 Cb -0.03 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1dps h GLU 25 CO -0.02 0.84 0.10 0.87 -0.73 0.00 0.00 179.01 180.07 1dps h LYS 26 N 0.41 0.21 -0.55 1.92 1.57 -0.54 -0.41 116.57 119.18 1dps h LYS 26 Ca 0.03 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.72 1dps h LYS 26 Cb 0.92 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.16 1dps h LYS 26 CO 0.08 0.15 0.05 0.87 -0.57 0.00 0.00 179.45 180.03 1dps h LYS 27 N 0.21 0.94 -0.61 3.15 1.57 -1.03 -0.18 116.57 120.63 1dps h LYS 27 Ca 0.06 -0.28 -0.07 0.00 -1.87 0.00 0.00 60.65 58.49 1dps h LYS 27 Cb -0.02 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 1dps h LYS 27 CO -0.01 0.93 0.08 0.00 -0.57 0.00 0.00 179.45 179.88 1dps h ALA 28 N 0.98 1.00 -0.31 3.86 0.00 -1.23 -2.12 119.26 121.43 1dps h ALA 28 Ca 0.16 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.67 1dps h ALA 28 Cb 0.47 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1dps h ALA 28 CO 0.02 0.63 -0.34 1.15 0.00 0.00 0.00 179.25 180.71 1dps h THR 29 N 0.93 1.29 -0.68 0.00 2.02 -0.76 -2.19 112.91 113.52 1dps h THR 29 Ca 0.19 -1.51 -0.02 0.00 0.77 0.00 0.00 66.41 65.83 1dps h THR 29 Cb 0.43 1.54 -0.03 0.00 -1.74 0.00 0.00 68.15 68.35 1dps h THR 29 CO 0.01 0.49 0.33 0.58 0.37 0.00 0.00 175.52 177.30 1dps h VAL 30 N 0.54 1.23 -0.49 3.16 2.07 -0.93 -0.13 116.25 121.71 1dps h VAL 30 Ca 0.05 -0.64 -0.04 0.00 0.82 0.00 0.00 66.70 66.89 1dps h VAL 30 Cb 0.92 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 1dps h VAL 30 CO 0.08 0.27 0.14 -0.33 0.02 0.00 0.00 177.57 177.75 1dps h GLU 31 N 0.95 0.77 -0.15 1.57 4.39 -1.33 -1.02 114.58 119.76 1dps h GLU 31 Ca 0.24 -0.17 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 1dps h GLU 31 Cb 0.11 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 1dps h GLU 31 CO -0.03 0.74 0.08 1.25 -1.16 0.00 0.00 179.01 179.88 1dps h LEU 32 N 0.66 0.19 -0.73 1.33 6.46 -1.08 -2.50 115.31 119.63 1dps h LEU 32 Ca 0.16 -0.10 -0.03 0.00 -0.12 0.00 0.00 57.88 57.79 1dps h LEU 32 Cb 0.30 -0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.15 1dps h LEU 32 CO -0.00 0.24 0.36 -0.07 -0.62 0.00 0.00 178.44 178.34 1dps h LEU 33 N 0.13 0.95 -1.11 2.25 3.38 -0.91 -2.73 115.31 117.28 1dps h LEU 33 Ca 0.05 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 1dps h LEU 33 Cb 0.09 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1dps h LEU 33 CO -0.01 0.81 -0.14 0.78 0.09 0.00 0.00 178.44 179.97 1dps h ASN 34 N 1.03 0.44 -0.60 -0.43 2.35 -1.12 -0.16 115.58 117.09 1dps h ASN 34 Ca 0.25 -0.12 -0.03 0.00 -0.55 0.00 0.00 56.30 55.86 1dps h ASN 34 Cb 0.11 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.33 1dps h ASN 34 CO -0.03 0.62 0.27 0.03 -1.65 0.00 0.00 177.43 176.66 1dps h ARG 35 N 0.42 0.87 -0.34 0.81 3.08 -1.21 -1.64 114.38 116.37 1dps h ARG 35 Ca 0.08 -0.14 -0.07 0.00 0.07 0.00 0.00 59.98 59.92 1dps h ARG 35 Cb 0.51 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 1dps h ARG 35 CO 0.03 0.72 -0.05 1.96 -1.07 0.00 0.00 179.97 181.57 1dps h GLN 36 N 0.82 0.63 -0.68 0.04 1.08 -1.14 -2.99 115.11 112.88 1dps h GLN 36 Ca 0.20 -0.23 0.07 0.00 -1.45 0.00 0.00 58.65 57.24 1dps h GLN 36 Cb 0.15 -0.05 -0.06 0.00 -0.05 0.00 0.00 27.48 27.48 1dps h GLN 36 CO -0.02 0.78 0.37 0.28 -0.95 0.00 0.00 178.83 179.29 1dps h VAL 37 N 0.43 0.94 0.02 -0.54 2.07 -0.85 -0.42 116.25 117.90 1dps h VAL 37 Ca 0.09 -0.23 0.01 0.00 0.82 0.00 0.00 66.70 67.39 1dps h VAL 37 Cb 0.53 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1dps h VAL 37 CO 0.03 0.12 -0.08 0.40 0.02 0.00 0.00 177.57 178.06 1dps h ILE 38 N 0.67 0.81 0.00 4.57 2.04 -1.23 -1.06 117.51 123.31 1dps h ILE 38 Ca 0.31 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 66.08 1dps h ILE 38 Cb 0.23 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1dps h ILE 38 CO -0.20 0.00 -0.45 0.06 0.00 0.00 0.00 178.15 177.55 1dps h GLN 39 N -0.15 0.00 -0.20 2.37 3.07 -1.34 -1.90 115.11 116.96 1dps h GLN 39 Ca 0.02 0.00 -0.20 0.00 0.09 0.00 0.00 58.65 58.57 1dps h GLN 39 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.73 1dps h GLN 39 CO -0.06 0.45 -0.65 0.74 0.09 0.00 0.00 178.83 179.40 1dps h PHE 40 N 0.00 0.96 -0.16 0.06 -1.00 -0.91 -0.46 116.94 115.43 1dps h PHE 40 Ca -0.00 -0.38 -0.03 0.00 2.81 0.00 0.00 57.97 60.36 1dps h PHE 40 Cb 1.10 -0.17 -0.01 0.00 3.61 0.00 0.00 35.95 40.49 1dps h PHE 40 CO 0.00 1.19 -0.03 0.82 -1.61 0.00 0.00 178.31 178.68 1dps h ILE 41 N 0.54 1.28 -0.72 -0.55 2.04 -1.11 -0.74 117.51 118.24 1dps h ILE 41 Ca -0.02 -0.96 0.01 0.00 1.00 0.00 0.00 64.86 64.89 1dps h ILE 41 Cb 1.25 1.59 -0.04 0.00 -0.74 0.00 0.00 36.82 38.89 1dps h ILE 41 CO 0.13 0.29 0.48 -0.78 0.00 0.00 0.00 178.15 178.27 1dps h ASP 42 N 0.02 0.83 -0.48 1.72 3.58 -1.33 -1.40 116.42 119.35 1dps h ASP 42 Ca 0.04 -0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.43 1dps h ASP 42 Cb 0.45 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 41.27 1dps h ASP 42 CO 0.01 0.60 0.16 0.25 -2.88 0.00 0.00 179.24 177.39 1dps h LEU 43 N 0.98 0.74 -0.97 2.28 5.85 -0.94 -0.75 115.31 122.50 1dps h LEU 43 Ca 0.27 -0.11 -0.10 0.00 0.84 0.00 0.00 57.88 58.78 1dps h LEU 43 Cb -0.11 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.71 1dps h LEU 43 CO -0.06 0.70 -0.29 0.77 -0.34 0.00 0.00 178.44 179.22 1dps h SER 44 N 0.78 0.40 -0.18 1.25 4.64 -0.29 0.13 113.55 120.27 1dps h SER 44 Ca 0.18 -0.14 -0.09 0.00 -0.47 0.00 0.00 61.79 61.27 1dps h SER 44 Cb 0.24 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1dps h SER 44 CO -0.01 0.68 -0.24 -0.07 -0.87 0.00 0.00 176.83 176.32 1dps h LEU 45 N 0.34 0.52 -1.01 5.97 3.38 -0.70 -3.03 115.31 120.77 1dps h LEU 45 Ca 0.05 -0.51 -0.03 0.00 0.09 0.00 0.00 57.88 57.48 1dps h LEU 45 Cb 0.69 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 1dps h LEU 45 CO 0.05 0.93 0.34 0.40 0.09 0.00 0.00 178.44 180.25 1dps h ILE 46 N 0.12 1.23 -0.46 1.22 2.04 -0.97 -1.62 117.51 119.08 1dps h ILE 46 Ca 0.02 -0.67 0.04 0.00 1.00 0.00 0.00 64.86 65.25 1dps h ILE 46 Cb 0.81 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 1dps h ILE 46 CO 0.06 0.28 0.23 0.74 0.00 0.00 0.00 178.15 179.45 1dps h THR 47 N 1.03 0.97 -0.28 -0.27 2.02 -0.95 -1.82 112.91 113.61 1dps h THR 47 Ca 0.25 -0.16 -0.17 0.00 0.77 0.00 0.00 66.41 67.10 1dps h THR 47 Cb 0.12 0.47 -0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1dps h THR 47 CO -0.03 0.08 -0.51 0.11 0.37 0.00 0.00 175.52 175.55 1dps h LYS 48 N 0.45 0.79 -0.53 6.66 1.79 -1.39 -1.64 116.57 122.70 1dps h LYS 48 Ca 0.20 -0.47 0.09 0.00 -2.18 0.00 0.00 60.65 58.28 1dps h LYS 48 Cb 0.10 0.05 -0.07 0.00 -1.58 0.00 0.00 32.23 30.73 1dps h LYS 48 CO -0.14 1.10 0.13 0.37 -1.08 0.00 0.00 179.45 179.83 1dps h GLN 49 N 0.62 0.26 -0.08 3.15 5.75 -0.98 -0.97 115.11 122.86 1dps h GLN 49 Ca 0.02 -0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.48 1dps h GLN 49 Cb 1.09 -0.06 -0.00 0.00 1.07 0.00 0.00 27.48 29.58 1dps h GLN 49 CO 0.11 0.17 -0.06 0.00 -2.65 0.00 0.00 178.83 176.40 1dps h ALA 50 N 1.41 0.11 -0.98 3.38 0.00 -1.30 -3.14 119.26 118.74 1dps h ALA 50 Ca 0.27 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1dps h ALA 50 Cb 0.36 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 1dps h ALA 50 CO -0.33 -0.09 0.65 1.25 0.00 0.00 0.00 179.25 180.72 1dps h HIS 51 N -0.23 1.21 -0.30 0.00 -0.00 -0.94 -2.61 115.15 112.29 1dps h HIS 51 Ca 0.01 0.03 -0.14 0.00 -0.00 0.00 0.00 60.37 60.27 1dps h HIS 51 Cb 0.56 -0.41 -0.01 0.00 -0.00 0.00 0.00 27.41 27.55 1dps h HIS 51 CO 0.08 0.72 -0.39 -1.49 -0.00 0.00 0.00 177.93 176.85 1dps h TRP 52 N 1.27 0.84 -0.65 5.26 6.55 -1.28 -3.34 115.95 124.59 1dps h TRP 52 Ca 0.38 -0.24 0.00 0.00 0.95 0.00 0.00 58.89 59.98 1dps h TRP 52 Cb -0.03 -0.18 0.00 0.00 -0.86 0.00 0.00 29.16 28.09 1dps h TRP 52 CO -0.00 0.98 0.00 0.09 -1.05 0.00 0.00 178.44 178.46 1dps n ASN 53 N -4.04 5.03 -4.90 -3.49 3.02 -1.01 -4.98 115.26 104.89 1dps n ASN 53 Ca -0.02 -2.54 -0.24 0.00 -0.03 0.00 0.00 54.58 51.75 1dps n ASN 53 Cb 0.52 -0.61 -0.04 0.00 -0.61 0.00 0.00 39.78 39.05 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 -2.03 3.23 -0.00 3.52 0.23 -1.06 -4.37 119.30 118.82 1dps s MET 54 Ca 0.53 -0.77 -0.28 0.00 -1.03 0.00 0.00 55.69 54.14 1dps s MET 54 Cb 0.35 -2.81 0.09 0.00 -1.53 0.00 0.00 34.83 30.93 1dps s MET 54 CO 0.24 0.47 0.77 -0.98 -2.03 0.00 0.00 175.02 173.49 1dps s ARG 55 N -3.46 0.97 0.00 3.16 1.70 -0.52 -4.96 118.95 115.85 1dps s ARG 55 Ca 0.33 -0.10 0.00 0.00 -0.47 0.00 0.00 55.73 55.50 1dps s ARG 55 Cb -0.10 0.45 0.00 0.00 -0.57 0.00 0.00 34.95 34.74 1dps s ARG 55 CO 0.27 -0.37 0.00 0.41 -1.08 0.00 0.00 175.30 174.53 1dps n GLY 56 N 0.25 0.42 3.68 3.88 0.00 -1.26 -1.88 105.19 110.28 1dps n GLY 56 Ca -0.14 -2.26 -0.44 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 1.21 -1.72 4.61 0.00 -1.26 -2.22 120.51 120.13 1dps n ALA 57 Ca 0.00 0.40 -0.14 0.00 0.00 0.00 0.00 53.44 53.70 1dps n ALA 57 Cb 0.00 -2.28 -0.04 0.00 0.00 0.00 0.00 19.45 17.13 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 1.86 -4.49 0.28 0.00 5.15 -1.26 -4.79 115.26 112.01 1dps n ASN 58 Ca 0.10 0.21 -0.18 0.00 -0.60 0.00 0.00 54.58 54.11 1dps n ASN 58 Cb 0.33 -3.37 -0.10 0.00 -0.53 0.00 0.00 39.78 36.11 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 -1.42 -0.32 1.20 3.57 -1.82 -2.86 116.94 115.28 1dps h PHE 59 Ca -0.30 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.24 1dps h PHE 59 Cb 1.02 0.56 -0.03 0.00 2.79 0.00 0.00 35.95 40.29 1dps h PHE 59 CO 0.38 -0.67 0.14 0.97 -2.23 0.00 0.00 178.31 176.90 1dps h ILE 60 N -0.99 0.97 -0.43 1.41 6.09 -1.93 0.18 117.51 122.81 1dps h ILE 60 Ca -0.06 -0.10 -0.11 0.00 -1.37 0.00 0.00 64.86 63.22 1dps h ILE 60 Cb 0.87 0.63 -0.02 0.00 0.47 0.00 0.00 36.82 38.78 1dps h ILE 60 CO -0.08 0.06 -0.16 0.00 -3.07 0.00 0.00 178.15 174.90 1dps h ALA 61 N 1.17 0.91 -0.25 0.18 0.00 -2.00 -1.10 119.26 118.17 1dps h ALA 61 Ca 0.13 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 1dps h ALA 61 Cb 0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1dps h ALA 61 CO -0.11 0.62 -0.14 0.28 0.00 0.00 0.00 179.25 179.91 1dps h VAL 62 N 0.72 1.30 -0.34 0.00 2.07 -1.27 -0.82 116.25 117.91 1dps h VAL 62 Ca 0.11 -1.24 0.06 0.00 0.82 0.00 0.00 66.70 66.45 1dps h VAL 62 Cb 0.66 1.56 -0.05 0.00 -1.52 0.00 0.00 31.29 31.94 1dps h VAL 62 CO 0.05 0.39 0.02 -0.74 0.02 0.00 0.00 177.57 177.31 1dps h HIS 63 N 0.27 0.02 -0.30 1.57 6.17 -0.43 -1.41 115.15 121.05 1dps h HIS 63 Ca 0.05 0.02 -0.16 0.00 0.71 0.00 0.00 60.37 61.00 1dps h HIS 63 Cb 0.66 0.04 -0.01 0.00 2.52 0.00 0.00 27.41 30.62 1dps h HIS 63 CO 0.06 -0.04 -0.44 0.93 0.71 0.00 0.00 177.93 179.16 1dps h GLU 64 N 0.12 0.75 -0.48 5.26 5.08 -1.18 -2.96 114.58 121.18 1dps h GLU 64 Ca 0.17 -0.42 0.02 0.00 -1.00 0.00 0.00 59.36 58.13 1dps h GLU 64 Cb 0.22 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 1dps h GLU 64 CO -0.26 1.04 0.29 1.98 -1.00 0.00 0.00 179.01 181.06 1dps h MET 65 N 0.61 0.57 -0.26 2.33 4.05 -0.71 -2.39 114.93 119.12 1dps h MET 65 Ca 0.04 -0.03 -0.05 0.00 -0.28 0.00 0.00 59.70 59.38 1dps h MET 65 Cb 1.00 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 31.66 1dps h MET 65 CO 0.10 0.37 -0.05 -0.07 0.23 0.00 0.00 176.91 177.49 1dps h LEU 66 N 0.58 0.38 -0.78 3.39 3.38 -1.23 -2.04 115.31 118.99 1dps h LEU 66 Ca 0.19 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 1dps h LEU 66 Cb 0.01 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1dps h LEU 66 CO -0.08 0.48 0.31 -0.78 0.09 0.00 0.00 178.44 178.45 1dps h ASP 67 N 0.39 1.08 -0.56 -0.43 3.58 -1.27 -1.96 116.42 117.26 1dps h ASP 67 Ca 0.08 -0.18 -0.06 0.00 0.42 0.00 0.00 57.03 57.30 1dps h ASP 67 Cb 0.34 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 41.08 1dps h ASP 67 CO 0.01 0.97 0.15 1.23 -2.88 0.00 0.00 179.24 178.72 1dps h GLY 68 N 1.14 1.00 1.00 -0.78 0.00 -1.09 -2.60 103.07 101.74 1dps h GLY 68 Ca 0.26 -0.59 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 1dps h GLY 68 CO -0.02 0.55 0.34 0.74 0.00 0.00 0.00 176.54 178.15 1dps h PHE 69 N 0.90 0.72 -0.48 5.60 -1.00 -0.97 -2.67 116.94 119.04 1dps h PHE 69 Ca 0.19 0.00 0.05 0.00 2.81 0.00 0.00 57.97 61.03 1dps h PHE 69 Cb 0.31 -0.24 -0.05 0.00 3.61 0.00 0.00 35.95 39.59 1dps h PHE 69 CO 0.02 0.49 0.21 -0.09 -1.61 0.00 0.00 178.31 177.33 1dps h ARG 70 N 0.75 0.40 -0.39 1.51 1.12 -0.99 -0.23 114.38 116.54 1dps h ARG 70 Ca 0.20 -0.02 0.05 0.00 -1.11 0.00 0.00 59.98 59.10 1dps h ARG 70 Cb -0.03 -0.09 -0.05 0.00 -0.01 0.00 0.00 29.97 29.80 1dps h ARG 70 CO -0.04 0.26 0.12 1.15 -3.11 0.00 0.00 179.97 178.35 1dps h THR 71 N 0.41 0.86 -0.59 0.20 2.02 -1.30 -1.83 112.91 112.67 1dps h THR 71 Ca 0.22 -0.09 -0.04 0.00 0.77 0.00 0.00 66.41 67.27 1dps h THR 71 Cb 0.18 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 1dps h THR 71 CO -0.19 0.05 0.21 0.00 0.37 0.00 0.00 175.52 175.96 1dps h ALA 72 N 1.27 0.77 -0.63 6.16 0.00 -1.08 -2.50 119.26 123.25 1dps h ALA 72 Ca 0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1dps h ALA 72 Cb 0.18 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1dps h ALA 72 CO -0.20 0.41 0.34 -0.07 0.00 0.00 0.00 179.25 179.73 1dps h LEU 73 N 0.83 0.80 -1.08 0.00 3.38 -0.70 -1.44 115.31 117.09 1dps h LEU 73 Ca 0.19 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 1dps h LEU 73 Cb 0.24 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1dps h LEU 73 CO -0.01 0.67 -0.35 0.16 0.09 0.00 0.00 178.44 179.00 1dps h ILE 74 N 0.86 0.89 -0.20 1.22 3.07 -1.19 -1.61 117.51 120.55 1dps h ILE 74 Ca 0.22 -1.38 -0.16 0.00 1.55 0.00 0.00 64.86 65.09 1dps h ILE 74 Cb 0.05 1.83 0.00 0.00 -0.27 0.00 0.00 36.82 38.44 1dps h ILE 74 CO -0.03 0.34 -0.51 0.44 -1.05 0.00 0.00 178.15 177.34 1dps h ASP 75 N 0.00 0.79 -0.34 2.16 3.32 -0.98 -2.02 116.42 119.34 1dps h ASP 75 Ca -0.00 -0.57 -0.03 0.00 0.02 0.00 0.00 57.03 56.45 1dps h ASP 75 Cb 0.81 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 1dps h ASP 75 CO 0.05 1.22 0.11 0.45 -1.72 0.00 0.00 179.24 179.35 1dps h HIS 76 N 0.39 0.55 -0.08 4.55 3.86 -1.07 -2.24 115.15 121.11 1dps h HIS 76 Ca -0.01 -0.05 -0.11 0.00 -1.16 0.00 0.00 60.37 59.04 1dps h HIS 76 Cb 1.13 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 29.42 1dps h HIS 76 CO 0.09 0.53 -0.43 1.37 0.86 0.00 0.00 177.93 180.35 1dps h LEU 77 N 0.40 0.18 -0.41 2.43 8.10 -1.31 -1.83 115.31 122.86 1dps h LEU 77 Ca 0.11 -0.08 -0.04 0.00 0.11 0.00 0.00 57.88 57.99 1dps h LEU 77 Cb 0.24 -0.05 -0.02 0.00 -0.44 0.00 0.00 40.66 40.39 1dps h LEU 77 CO -0.00 0.59 0.11 0.44 -4.11 0.00 0.00 178.44 175.47 1dps h ASP 78 N 0.14 0.62 -0.90 0.17 3.32 -1.25 -0.43 116.42 118.10 1dps h ASP 78 Ca 0.01 -0.22 0.04 0.00 0.02 0.00 0.00 57.03 56.88 1dps h ASP 78 Cb 0.82 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 40.16 1dps h ASP 78 CO 0.06 0.67 0.58 0.74 -1.72 0.00 0.00 179.24 179.58 1dps h THR 79 N 0.53 1.14 -0.37 0.35 2.02 -1.08 0.03 112.91 115.53 1dps h THR 79 Ca 0.13 -0.39 -0.06 0.00 0.77 0.00 0.00 66.41 66.87 1dps h THR 79 Cb 0.29 -0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.61 1dps h THR 79 CO -0.00 0.21 0.00 0.24 0.37 0.00 0.00 175.52 176.34 1dps h MET 80 N 1.12 0.65 -0.47 6.66 2.86 -1.03 -1.92 114.93 122.80 1dps h MET 80 Ca 0.36 -0.21 -0.04 0.00 -2.06 0.00 0.00 59.70 57.76 1dps h MET 80 Cb 0.01 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 1dps h MET 80 CO -0.12 0.75 0.15 0.00 1.06 0.00 0.00 176.91 178.76 1dps h ALA 81 N 0.87 0.61 -0.80 6.32 0.00 -0.75 -2.06 119.26 123.45 1dps h ALA 81 Ca 0.10 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1dps h ALA 81 Cb 0.46 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1dps h ALA 81 CO 0.02 0.26 0.48 0.93 0.00 0.00 0.00 179.25 180.94 1dps h GLU 82 N 0.62 1.08 -0.58 0.00 5.08 -0.95 -2.01 114.58 117.81 1dps h GLU 82 Ca 0.15 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.36 1dps h GLU 82 Cb 0.26 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1dps h GLU 82 CO -0.01 0.76 0.15 -0.09 -1.00 0.00 0.00 179.01 178.82 1dps h ARG 83 N 1.10 0.93 -0.60 2.33 9.65 -1.01 -1.13 114.38 125.65 1dps h ARG 83 Ca 0.29 -0.22 0.05 0.00 -1.10 0.00 0.00 59.98 58.99 1dps h ARG 83 Cb -0.05 -0.12 -0.05 0.00 -1.39 0.00 0.00 29.97 28.36 1dps h ARG 83 CO -0.05 0.86 0.33 0.00 2.80 0.00 0.00 179.97 183.90 1dps h ALA 84 N 1.03 0.79 0.00 2.80 0.00 -0.79 -2.13 119.26 120.96 1dps h ALA 84 Ca 0.18 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.96 1dps h ALA 84 Cb 0.34 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1dps h ALA 84 CO 0.00 0.01 -0.68 -0.39 0.00 0.00 0.00 179.25 178.20 1dps h VAL 85 N 0.63 1.44 -0.27 0.00 -1.51 -1.18 -0.82 116.25 114.54 1dps h VAL 85 Ca 0.26 -2.36 -0.04 0.00 -1.23 0.00 0.00 66.70 63.32 1dps h VAL 85 Cb 0.13 2.29 -0.02 0.00 -2.13 0.00 0.00 31.29 31.57 1dps h VAL 85 CO -0.16 0.67 -0.02 1.56 -1.23 0.00 0.00 177.57 178.39 1dps h GLN 86 N 0.00 0.42 -0.42 5.19 4.20 -0.68 -1.42 115.11 122.40 1dps h GLN 86 Ca -0.01 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.62 1dps h GLN 86 Cb 1.24 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.95 1dps h GLN 86 CO 0.09 0.46 0.00 1.28 -0.67 0.00 0.00 178.83 179.99 1dps n LEU 87 N -4.30 1.51 0.00 1.46 4.77 -0.85 -4.88 117.00 114.70 1dps n LEU 87 Ca 0.01 -0.76 0.00 0.00 -0.03 0.00 0.00 56.01 55.23 1dps n LEU 87 Cb 0.23 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1dps n LEU 87 CO 0.38 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 1dps n GLY 88 N 0.64 0.73 3.00 -0.72 0.00 -0.53 -4.84 105.19 103.46 1dps n GLY 88 Ca 0.07 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.42 0.65 3.22 -0.02 0.00 -0.33 -0.80 105.19 105.50 1dps n GLY 89 Ca 0.00 -2.01 -0.34 0.00 0.00 0.00 0.00 46.02 43.67 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 -2.34 2.80 0.12 1.61 1.01 -1.26 -4.23 120.40 118.10 1dps s VAL 90 Ca 0.51 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 61.42 1dps s VAL 90 Cb -0.03 -2.28 -0.06 0.00 0.00 0.00 0.00 36.38 34.01 1dps s VAL 90 CO 0.34 0.41 1.12 0.00 0.00 0.00 0.00 175.10 176.97 1dps s ALA 91 N 1.38 3.35 -0.25 5.51 0.00 -1.26 -4.96 121.76 125.53 1dps s ALA 91 Ca 0.04 0.79 -0.03 0.00 0.00 0.00 0.00 51.96 52.76 1dps s ALA 91 Cb -0.14 -3.38 0.02 0.00 0.00 0.00 0.00 23.12 19.61 1dps s ALA 91 CO -0.07 -0.29 -0.04 -0.51 0.00 0.00 0.00 175.76 174.86 1dps s LEU 92 N 0.30 3.22 0.00 0.00 1.43 -1.26 -4.96 118.68 117.40 1dps s LEU 92 Ca 0.53 -0.73 0.16 0.00 -1.03 0.00 0.00 54.13 53.06 1dps s LEU 92 Cb -0.28 -1.71 0.27 0.00 0.03 0.00 0.00 46.19 44.50 1dps s LEU 92 CO 0.32 -0.11 1.09 0.61 0.23 0.00 0.00 176.35 178.48 1dps n GLY 93 N 4.73 0.84 3.89 -3.19 0.00 -1.26 -4.57 105.19 105.64 1dps n GLY 93 Ca -0.17 -0.54 -0.28 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 4.86 0.25 2.61 -4.23 -1.26 -4.92 115.64 112.95 1dps s THR 94 Ca 0.22 0.38 -0.03 0.00 -1.18 0.00 0.00 61.69 61.07 1dps s THR 94 Cb 0.25 -3.83 0.22 0.00 1.34 0.00 0.00 72.50 70.48 1dps s THR 94 CO -0.11 -0.78 1.79 0.74 -0.54 0.00 0.00 174.62 175.72 1dps h THR 95 N 0.42 0.85 -0.71 3.99 2.02 -1.99 -1.24 112.91 116.25 1dps h THR 95 Ca -0.47 -0.25 -0.02 0.00 0.77 0.00 0.00 66.41 66.44 1dps h THR 95 Cb 1.20 0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 67.62 1dps h THR 95 CO 0.62 0.13 0.38 1.56 0.37 0.00 0.00 175.52 178.58 1dps h GLN 96 N 0.74 1.01 -0.21 6.66 7.50 -1.99 0.19 115.11 129.00 1dps h GLN 96 Ca 0.42 -0.13 -0.06 0.00 0.50 0.00 0.00 58.65 59.38 1dps h GLN 96 Cb 0.46 -0.19 -0.01 0.00 0.05 0.00 0.00 27.48 27.79 1dps h GLN 96 CO -0.28 0.76 -0.10 0.28 -1.50 0.00 0.00 178.83 177.99 1dps h VAL 97 N 0.99 1.31 -0.38 -0.54 2.07 -1.82 -2.30 116.25 115.57 1dps h VAL 97 Ca 0.25 -1.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 1dps h VAL 97 Cb 0.06 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 1dps h VAL 97 CO -0.04 0.36 0.20 0.40 0.02 0.00 0.00 177.57 178.51 1dps h ILE 98 N 0.15 1.16 -0.85 4.57 2.04 -1.08 -0.63 117.51 122.87 1dps h ILE 98 Ca 0.05 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 1dps h ILE 98 Cb 0.60 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 37.37 1dps h ILE 98 CO 0.03 0.16 0.48 -1.13 0.00 0.00 0.00 178.15 177.69 1dps h ASN 99 N 0.49 1.04 0.77 1.72 -0.73 -0.97 0.10 115.58 118.00 1dps h ASN 99 Ca 0.13 -0.08 -0.19 0.00 1.87 0.00 0.00 56.30 58.04 1dps h ASN 99 Cb 0.08 -0.26 -0.02 0.00 0.27 0.00 0.00 38.32 38.38 1dps h ASN 99 CO -0.02 0.83 -0.87 -1.28 -0.37 0.00 0.00 177.43 175.72 1dps h SER 100 N 1.18 0.08 -0.00 1.15 0.87 -1.10 -3.38 113.55 112.34 1dps h SER 100 Ca 0.30 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 1dps h SER 100 Cb 0.00 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1dps h SER 100 CO -0.05 0.90 -0.11 0.29 -0.53 0.00 0.00 176.83 177.33 1dps n LYS 101 N -3.56 1.95 -1.94 2.24 5.02 -0.27 -5.04 118.16 116.55 1dps n LYS 101 Ca -0.01 -0.54 -0.41 0.00 -2.02 0.00 0.00 58.31 55.32 1dps n LYS 101 Cb 0.82 -0.99 -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 -0.08 -0.52 0.00 0.00 177.40 176.80 1dps s THR 102 N -0.94 2.39 -2.28 -0.18 -1.32 0.33 -4.89 115.64 108.76 1dps s THR 102 Ca 0.06 0.37 0.28 0.00 -1.21 0.00 0.00 61.69 61.19 1dps s THR 102 Cb 0.05 -3.24 0.56 0.00 -1.51 0.00 0.00 72.50 68.36 1dps s THR 102 CO 0.14 0.08 1.80 -0.81 -2.21 0.00 0.00 174.62 173.62 1dps n PRO 103 N 1.18 1.40 -3.36 7.08 -0.04 -1.26 -4.89 135.00 135.11 1dps n PRO 103 Ca 0.03 -0.73 -0.38 0.00 -0.04 0.00 0.00 63.50 62.39 1dps n PRO 103 Cb 0.40 -1.48 -0.06 0.00 -0.04 0.00 0.00 33.50 32.31 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 -2.10 4.28 0.31 1.53 1.43 -1.26 -5.04 118.68 117.83 1dps s LEU 104 Ca 0.37 0.77 -0.29 0.00 -1.03 0.00 0.00 54.13 53.94 1dps s LEU 104 Cb 0.21 -2.63 -0.11 0.00 0.03 0.00 0.00 46.19 43.69 1dps s LEU 104 CO 0.37 0.04 1.50 -0.75 0.23 0.00 0.00 176.35 177.74 1dps s LYS 105 N 0.49 4.18 0.01 1.70 2.20 -1.26 -4.87 119.74 122.18 1dps s LYS 105 Ca 0.24 2.47 -0.38 0.00 -0.36 0.00 0.00 55.97 57.94 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 0.09 -0.51 1.37 0.45 -0.36 0.00 0.00 175.35 176.39 1dps n SER 106 N 1.67 1.51 -4.73 1.43 2.88 -1.26 -4.88 113.62 110.23 1dps n SER 106 Ca 0.05 1.12 -0.41 0.00 -1.33 0.00 0.00 58.87 58.30 1dps n SER 106 Cb 0.39 -1.14 -0.04 0.00 -0.75 0.00 0.00 64.21 62.68 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 0.92 3.53 0.15 0.66 5.04 -1.26 -4.98 117.35 121.41 1dps s TYR 107 Ca 0.88 1.51 -0.31 0.00 -2.44 0.00 0.00 57.07 56.71 1dps s TYR 107 Cb -1.03 -3.33 -0.10 0.00 0.35 0.00 0.00 41.96 37.84 1dps s TYR 107 CO 0.52 -0.85 1.70 -1.25 -1.34 0.00 0.00 175.55 174.32 1dps s PRO 108 N -0.10 4.16 0.00 4.97 0.04 -1.26 -4.91 135.00 137.91 1dps s PRO 108 Ca 0.52 2.49 0.26 0.00 0.04 0.00 0.00 61.00 64.31 1dps s PRO 108 Cb -0.30 -3.32 0.73 0.00 0.04 0.00 0.00 34.50 31.64 1dps s PRO 108 CO 0.34 -0.73 1.55 1.28 0.04 0.00 0.00 177.00 179.48 1dps n LEU 109 N 4.71 1.33 -0.60 -3.56 4.77 -1.26 -4.33 117.00 118.07 1dps n LEU 109 Ca 0.16 -0.40 0.08 0.00 -0.03 0.00 0.00 56.01 55.81 1dps n LEU 109 Cb 0.38 -0.07 0.20 0.00 -2.33 0.00 0.00 43.42 41.59 1dps n LEU 109 CO 0.63 0.24 0.65 -0.90 -1.33 0.00 0.00 177.39 176.68 1dps n ASP 110 N -0.30 3.25 -4.79 -1.43 5.75 -1.26 -5.01 116.55 112.76 1dps n ASP 110 Ca 0.14 -2.83 -0.27 0.00 -0.01 0.00 0.00 54.79 51.81 1dps n ASP 110 Cb 0.37 -0.44 -0.06 0.00 -1.03 0.00 0.00 41.12 39.97 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 -2.47 4.50 0.00 2.12 -4.36 -1.26 -5.02 121.20 114.70 1dps s ILE 111 Ca 0.34 -1.01 0.00 0.00 -0.26 0.00 0.00 60.65 59.72 1dps s ILE 111 Cb 0.27 -3.27 0.00 0.00 1.25 0.00 0.00 42.46 40.72 1dps s ILE 111 CO 0.08 -0.05 0.00 1.41 0.24 0.00 0.00 174.94 176.61 1dps n HIS 112 N -0.16 0.00 -1.66 1.37 8.25 -1.26 -4.82 115.22 116.94 1dps n HIS 112 Ca -0.08 0.00 -0.46 0.00 -0.26 0.00 0.00 57.72 56.92 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 -1.50 2.66 -0.26 0.41 5.15 -1.26 -1.44 115.26 119.02 1dps n ASN 113 Ca 0.00 1.13 0.07 0.00 -0.60 0.00 0.00 54.58 55.18 1dps n ASN 113 Cb 0.11 -1.40 0.20 0.00 -0.53 0.00 0.00 39.78 38.15 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 3.14 0.52 -0.27 3.44 2.07 -1.68 -0.99 116.25 122.48 1dps h VAL 114 Ca -0.45 -0.11 -0.07 0.00 0.82 0.00 0.00 66.70 66.89 1dps h VAL 114 Cb 1.28 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 1dps h VAL 114 CO 0.78 0.06 -0.14 1.56 0.02 0.00 0.00 177.57 179.85 1dps h GLN 115 N 0.31 0.46 -0.31 1.57 1.08 -1.88 -0.09 115.11 116.25 1dps h GLN 115 Ca 0.44 -0.13 -0.10 0.00 -1.45 0.00 0.00 58.65 57.40 1dps h GLN 115 Cb 0.75 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.12 1dps h GLN 115 CO -0.50 0.59 -0.20 -0.44 -0.95 0.00 0.00 178.83 177.33 1dps h ASP 116 N 0.43 0.72 -0.68 1.46 3.32 -1.56 -2.43 116.42 117.67 1dps h ASP 116 Ca 0.08 -0.43 -0.06 0.00 0.02 0.00 0.00 57.03 56.64 1dps h ASP 116 Cb 0.49 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 1dps h ASP 116 CO 0.03 0.99 0.19 0.45 -1.72 0.00 0.00 179.24 179.18 1dps h HIS 117 N 0.45 1.12 -0.95 4.55 3.86 -1.13 -2.22 115.15 120.82 1dps h HIS 117 Ca 0.06 -0.12 -0.00 0.00 -1.16 0.00 0.00 60.37 59.15 1dps h HIS 117 Cb 0.74 -0.32 -0.05 0.00 1.06 0.00 0.00 27.41 28.85 1dps h HIS 117 CO 0.06 0.91 0.59 -0.07 0.86 0.00 0.00 177.93 180.29 1dps h LEU 118 N 1.01 1.13 -0.43 2.43 3.38 -0.91 -0.30 115.31 121.62 1dps h LEU 118 Ca 0.22 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 58.04 1dps h LEU 118 Cb 0.33 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1dps h LEU 118 CO -0.00 0.85 -0.09 0.11 0.09 0.00 0.00 178.44 179.40 1dps h LYS 119 N 1.31 0.82 -0.53 1.13 1.57 -1.17 0.00 116.57 119.71 1dps h LYS 119 Ca 0.34 -0.31 -0.09 0.00 -1.87 0.00 0.00 60.65 58.73 1dps h LYS 119 Cb -0.08 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 1dps h LYS 119 CO -0.07 0.93 -0.02 0.93 -0.57 0.00 0.00 179.45 180.66 1dps h GLU 120 N 0.65 0.91 -0.18 3.15 4.39 -1.08 -2.28 114.58 120.14 1dps h GLU 120 Ca 0.11 -0.27 -0.10 0.00 0.34 0.00 0.00 59.36 59.43 1dps h GLU 120 Cb 0.62 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1dps h GLU 120 CO 0.04 0.92 -0.29 -0.07 -1.16 0.00 0.00 179.01 178.44 1dps h LEU 121 N 0.84 0.58 -0.64 1.33 3.38 -0.99 -2.87 115.31 116.93 1dps h LEU 121 Ca 0.15 -0.53 0.07 0.00 0.09 0.00 0.00 57.88 57.66 1dps h LEU 121 Cb 0.52 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.05 1dps h LEU 121 CO 0.03 0.99 0.33 0.00 0.09 0.00 0.00 178.44 179.88 1dps h ALA 122 N 0.60 0.86 -0.34 1.53 0.00 -0.85 0.37 119.26 121.43 1dps h ALA 122 Ca 0.02 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1dps h ALA 122 Cb 0.87 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1dps h ALA 122 CO 0.07 -0.02 0.22 -0.44 0.00 0.00 0.00 179.25 179.07 1dps h ASP 123 N 0.60 0.39 -0.12 0.00 3.32 -1.41 -0.69 116.42 118.53 1dps h ASP 123 Ca 0.30 -0.03 -0.22 0.00 0.02 0.00 0.00 57.03 57.10 1dps h ASP 123 Cb 0.24 -0.10 0.01 0.00 0.22 0.00 0.00 39.33 39.70 1dps h ASP 123 CO -0.21 0.30 -0.79 0.03 -1.72 0.00 0.00 179.24 176.85 1dps h ARG 124 N 0.45 0.74 -0.59 3.56 3.08 -1.20 -2.49 114.38 117.93 1dps h ARG 124 Ca 0.12 -0.64 0.01 0.00 0.07 0.00 0.00 59.98 59.54 1dps h ARG 124 Cb -0.03 0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 1dps h ARG 124 CO -0.03 1.25 0.39 1.88 -1.07 0.00 0.00 179.97 182.40 1dps h TYR 125 N 0.45 0.74 -0.56 3.04 -1.99 -0.22 -2.50 116.97 115.93 1dps h TYR 125 Ca -0.07 0.02 -0.06 0.00 2.00 0.00 0.00 58.73 60.62 1dps h TYR 125 Cb 1.43 -0.25 -0.02 0.00 2.00 0.00 0.00 36.73 39.89 1dps h TYR 125 CO 0.10 0.46 0.13 0.00 -0.00 0.00 0.00 178.16 178.85 1dps h ALA 126 N 1.63 0.74 -0.02 3.88 0.00 -0.99 0.23 119.26 124.73 1dps h ALA 126 Ca 0.22 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1dps h ALA 126 Cb -0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1dps h ALA 126 CO -0.05 0.44 -0.02 0.82 0.00 0.00 0.00 179.25 180.45 1dps h ILE 127 N 0.80 0.95 -0.23 0.00 1.08 -1.05 -0.45 117.51 118.60 1dps h ILE 127 Ca 0.17 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.61 1dps h ILE 127 Cb 0.36 0.95 -0.01 0.00 -3.07 0.00 0.00 36.82 35.05 1dps h ILE 127 CO 0.00 0.00 -0.00 0.58 -0.69 0.00 0.00 178.15 178.04 1dps h VAL 128 N -0.02 1.26 -0.22 1.67 2.07 -1.29 -2.19 116.25 117.52 1dps h VAL 128 Ca 0.01 -0.90 0.01 0.00 0.82 0.00 0.00 66.70 66.65 1dps h VAL 128 Cb 0.04 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1dps h VAL 128 CO -0.03 0.28 0.12 0.00 0.02 0.00 0.00 177.57 177.96 1dps h ALA 129 N 0.80 0.27 -0.40 1.67 0.00 -0.44 -0.64 119.26 120.52 1dps h ALA 129 Ca 0.07 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1dps h ALA 129 Cb 0.41 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1dps h ALA 129 CO 0.01 -0.28 -0.14 -0.91 0.00 0.00 0.00 179.25 177.94 1dps h ASN 130 N 0.26 0.72 -0.13 0.00 2.35 -1.13 -1.90 115.58 115.75 1dps h ASN 130 Ca 0.09 -0.22 -0.10 0.00 -0.55 0.00 0.00 56.30 55.52 1dps h ASN 130 Cb -0.00 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.18 1dps h ASN 130 CO -0.04 0.87 -0.30 -0.78 -1.65 0.00 0.00 177.43 175.53 1dps h ASP 131 N 0.65 0.49 0.41 5.81 3.58 -1.15 -2.89 116.42 123.32 1dps h ASP 131 Ca 0.11 -0.57 -0.08 0.00 0.42 0.00 0.00 57.03 56.91 1dps h ASP 131 Cb 0.60 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.50 1dps h ASP 131 CO 0.04 0.97 -0.40 1.62 -2.88 0.00 0.00 179.24 178.59 1dps h VAL 132 N 0.03 1.27 -0.54 2.25 3.04 -1.09 -0.88 116.25 120.33 1dps h VAL 132 Ca 0.00 -1.37 -0.08 0.00 -1.01 0.00 0.00 66.70 64.24 1dps h VAL 132 Cb 0.90 1.74 -0.02 0.00 -2.01 0.00 0.00 31.29 31.90 1dps h VAL 132 CO 0.07 0.39 0.02 -0.09 -1.01 0.00 0.00 177.57 176.94 1dps h ARG 133 N 0.00 0.91 -0.14 4.17 2.43 -1.34 -2.34 114.38 118.07 1dps h ARG 133 Ca -0.00 -0.26 -0.18 0.00 -0.81 0.00 0.00 59.98 58.73 1dps h ARG 133 Cb 0.71 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1dps h ARG 133 CO 0.05 0.90 -0.66 0.87 -1.51 0.00 0.00 179.97 179.62 1dps h LYS 134 N 0.85 0.54 -0.28 0.20 1.57 -1.25 -3.14 116.57 115.06 1dps h LYS 134 Ca 0.16 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1dps h LYS 134 Cb 0.48 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1dps h LYS 134 CO 0.02 1.02 0.18 0.00 -0.57 0.00 0.00 179.45 180.09 1dps h ALA 135 N 0.89 1.79 -0.45 3.86 0.00 -0.66 -2.42 119.26 122.26 1dps h ALA 135 Ca -0.02 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.94 1dps h ALA 135 Cb 1.23 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 1dps h ALA 135 CO 0.12 0.19 0.07 0.82 0.00 0.00 0.00 179.25 180.46 1dps h ILE 136 N 0.38 0.73 0.00 0.00 2.04 -1.40 -1.40 117.51 117.86 1dps h ILE 136 Ca 0.10 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.89 1dps h ILE 136 Cb -0.03 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 1dps h ILE 136 CO -0.02 0.04 0.00 1.23 0.00 0.00 0.00 178.15 179.40 1dps h GLY 137 N 0.20 0.00 0.11 5.37 0.00 -1.58 -2.95 103.07 104.22 1dps h GLY 137 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1dps h GLY 137 CO -0.31 0.00 -1.15 1.18 0.00 0.00 0.00 176.54 176.26 1dps n GLU 138 N -2.92 0.14 -2.36 4.80 1.02 -0.59 -4.88 120.64 115.85 1dps n GLU 138 Ca -0.01 -0.04 -0.41 0.00 -0.02 0.00 0.00 57.16 56.69 1dps n GLU 138 Cb 0.20 -1.51 -0.03 0.00 -0.02 0.00 0.00 31.44 30.08 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 -3.11 2.72 0.29 0.62 0.00 -0.83 -4.88 121.76 116.58 1dps s ALA 139 Ca 0.05 -0.74 0.11 0.00 0.00 0.00 0.00 51.96 51.38 1dps s ALA 139 Cb 0.16 -4.15 0.43 0.00 0.00 0.00 0.00 23.12 19.56 1dps s ALA 139 CO 0.86 -3.09 1.65 0.87 0.00 0.00 0.00 175.76 176.05 1dps h LYS 140 N 11.45 0.00 -6.34 0.00 1.79 -1.89 -3.42 116.57 118.15 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 1.10 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.71 1dps h LYS 140 CO 1.19 0.57 1.04 0.34 -1.08 0.00 0.00 179.45 181.51 1dps s ASP 141 N -6.85 6.53 0.22 0.86 2.15 -1.26 -4.92 116.67 113.40 1dps s ASP 141 Ca -0.02 1.32 -0.08 0.00 0.43 0.00 0.00 52.55 54.21 1dps s ASP 141 Cb 0.13 -2.54 0.30 0.00 -0.30 0.00 0.00 42.92 40.51 1dps s ASP 141 CO 0.75 -1.18 1.79 0.44 -0.17 0.00 0.00 175.17 176.81 1dps h ASP 142 N 9.95 0.50 -0.64 -0.34 3.32 -2.00 -0.38 116.42 126.84 1dps h ASP 142 Ca -0.29 0.05 0.01 0.00 0.02 0.00 0.00 57.03 56.82 1dps h ASP 142 Cb 1.12 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 40.59 1dps h ASP 142 CO 1.03 0.30 0.41 0.44 -1.72 0.00 0.00 179.24 179.70 1dps h ASP 143 N 0.64 0.70 -0.44 6.45 3.32 -1.96 -1.59 116.42 123.54 1dps h ASP 143 Ca 0.33 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.31 1dps h ASP 143 Cb 0.30 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 1dps h ASP 143 CO -0.23 0.50 0.05 0.74 -1.72 0.00 0.00 179.24 178.58 1dps h THR 144 N 0.84 1.25 -0.82 0.35 2.02 -1.78 -1.77 112.91 113.00 1dps h THR 144 Ca 0.24 -0.93 0.06 0.00 0.77 0.00 0.00 66.41 66.55 1dps h THR 144 Cb -0.06 0.99 -0.05 0.00 -1.74 0.00 0.00 68.15 67.30 1dps h THR 144 CO -0.07 0.32 0.53 0.00 0.37 0.00 0.00 175.52 176.68 1dps h ALA 145 N 0.93 1.58 -0.31 6.16 0.00 -0.68 -0.91 119.26 126.02 1dps h ALA 145 Ca 0.13 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1dps h ALA 145 Cb 0.41 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1dps h ALA 145 CO 0.01 0.31 -0.10 0.22 0.00 0.00 0.00 179.25 179.69 1dps h ASP 146 N 0.92 0.63 -0.57 0.00 3.58 -1.08 -0.67 116.42 119.22 1dps h ASP 146 Ca 0.34 -0.38 0.01 0.00 0.42 0.00 0.00 57.03 57.42 1dps h ASP 146 Cb 0.18 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.03 1dps h ASP 146 CO -0.12 0.86 0.37 0.40 -2.88 0.00 0.00 179.24 177.88 1dps h ILE 147 N 0.39 1.13 -0.06 2.25 2.04 -0.71 -2.10 117.51 120.45 1dps h ILE 147 Ca 0.08 -0.26 -0.09 0.00 1.00 0.00 0.00 64.86 65.59 1dps h ILE 147 Cb 0.60 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1dps h ILE 147 CO 0.04 0.14 -0.37 -0.07 0.00 0.00 0.00 178.15 177.89 1dps h LEU 148 N 0.76 0.13 -0.36 1.44 3.38 -1.06 -2.23 115.31 117.37 1dps h LEU 148 Ca 0.21 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 58.05 1dps h LEU 148 Cb -0.07 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1dps h LEU 148 CO -0.06 0.49 -0.13 0.74 0.09 0.00 0.00 178.44 179.57 1dps h THR 149 N 0.11 1.28 -0.63 0.22 2.02 -0.60 0.61 112.91 115.91 1dps h THR 149 Ca 0.01 -1.23 -0.05 0.00 0.77 0.00 0.00 66.41 65.91 1dps h THR 149 Cb 0.71 1.32 -0.03 0.00 -1.74 0.00 0.00 68.15 68.41 1dps h THR 149 CO 0.05 0.41 0.22 0.00 0.37 0.00 0.00 175.52 176.57 1dps h ALA 150 N 0.81 0.83 -0.36 6.16 0.00 -1.19 -1.21 119.26 124.29 1dps h ALA 150 Ca 0.09 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1dps h ALA 150 Cb 0.66 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1dps h ALA 150 CO 0.04 0.48 0.16 0.00 0.00 0.00 0.00 179.25 179.94 1dps h ALA 151 N 1.08 0.47 -0.66 0.00 0.00 -1.25 -3.00 119.26 115.91 1dps h ALA 151 Ca 0.21 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1dps h ALA 151 Cb 0.26 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1dps h ALA 151 CO -0.01 0.05 0.36 1.03 0.00 0.00 0.00 179.25 180.68 1dps h SER 152 N 0.45 0.83 -0.64 0.00 0.87 -0.64 -0.62 113.55 113.80 1dps h SER 152 Ca 0.12 -0.10 0.07 0.00 -1.23 0.00 0.00 61.79 60.66 1dps h SER 152 Cb 0.15 -0.21 -0.06 0.00 -0.44 0.00 0.00 62.40 61.83 1dps h SER 152 CO -0.01 0.69 0.32 0.03 -0.53 0.00 0.00 176.83 177.33 1dps h ARG 153 N 0.91 0.57 -0.24 2.24 3.08 -1.17 -0.35 114.38 119.42 1dps h ARG 153 Ca 0.23 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 60.16 1dps h ARG 153 Cb 0.05 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 1dps h ARG 153 CO -0.04 0.38 -0.19 -0.44 -1.07 0.00 0.00 179.97 178.61 1dps h ASP 154 N 0.59 0.57 -0.77 7.04 3.32 -1.34 -2.38 116.42 123.45 1dps h ASP 154 Ca 0.30 -0.45 0.02 0.00 0.02 0.00 0.00 57.03 56.92 1dps h ASP 154 Cb 0.26 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.60 1dps h ASP 154 CO -0.22 0.91 0.50 -0.07 -1.72 0.00 0.00 179.24 178.63 1dps h LEU 155 N 0.25 0.83 -0.95 1.55 -0.00 -0.76 0.66 115.31 116.88 1dps h LEU 155 Ca 0.04 -0.01 -0.09 0.00 -0.00 0.00 0.00 57.88 57.82 1dps h LEU 155 Cb 0.73 -0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 41.18 1dps h LEU 155 CO 0.05 0.58 -0.23 0.44 -0.00 0.00 0.00 178.44 179.28 1dps h ASP 156 N 0.98 0.49 -0.18 -0.43 5.19 -1.06 0.20 116.42 121.61 1dps h ASP 156 Ca 0.30 -0.16 -0.03 0.00 -0.62 0.00 0.00 57.03 56.52 1dps h ASP 156 Cb -0.02 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.35 1dps h ASP 156 CO -0.10 0.73 -0.02 0.50 -3.12 0.00 0.00 179.24 177.22 1dps h LYS 157 N 0.44 0.33 -0.59 3.56 3.64 -0.85 -2.27 116.57 120.82 1dps h LYS 157 Ca 0.07 -0.12 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 1dps h LYS 157 Cb 0.64 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.42 1dps h LYS 157 CO 0.05 0.57 0.23 0.74 -2.27 0.00 0.00 179.45 178.76 1dps h PHE 158 N 0.05 0.91 -0.52 1.91 0.04 -0.70 -0.27 116.94 118.36 1dps h PHE 158 Ca 0.05 -0.07 -0.01 0.00 2.80 0.00 0.00 57.97 60.73 1dps h PHE 158 Cb 0.44 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 38.29 1dps h PHE 158 CO 0.04 0.73 0.28 1.25 -0.60 0.00 0.00 178.31 180.02 1dps h LEU 159 N 0.82 0.65 -0.32 1.54 5.85 -0.94 -1.41 115.31 121.50 1dps h LEU 159 Ca 0.20 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1dps h LEU 159 Cb 0.22 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 1dps h LEU 159 CO -0.01 0.56 0.20 -0.25 -0.34 0.00 0.00 178.44 178.60 1dps h TRP 160 N 0.69 0.42 -0.72 1.25 7.01 -1.09 -0.43 115.95 123.07 1dps h TRP 160 Ca 0.18 0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.21 1dps h TRP 160 Cb 0.06 -0.14 -0.04 0.00 -2.10 0.00 0.00 29.16 26.94 1dps h TRP 160 CO -0.02 0.29 0.45 0.74 -2.79 0.00 0.00 178.44 177.12 1dps h PHE 161 N 0.42 0.85 0.12 2.65 -1.00 -0.79 0.13 116.94 119.32 1dps h PHE 161 Ca 0.12 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.91 1dps h PHE 161 Cb -0.01 -0.28 0.00 0.00 3.61 0.00 0.00 35.95 39.27 1dps h PHE 161 CO -0.05 0.50 -0.06 0.82 -1.61 0.00 0.00 178.31 177.91 1dps h ILE 162 N 0.89 0.98 -0.62 -0.55 2.04 -1.03 -3.05 117.51 116.17 1dps h ILE 162 Ca 0.28 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 1dps h ILE 162 Cb -0.00 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 1dps h ILE 162 CO -0.10 0.09 0.30 -0.33 0.00 0.00 0.00 178.15 178.11 1dps h GLU 163 N -0.33 0.88 0.00 2.37 5.08 -0.79 -2.49 114.58 119.29 1dps h GLU 163 Ca -0.02 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1dps h GLU 163 Cb 0.27 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1dps h GLU 163 CO 0.03 0.68 0.00 0.00 -1.00 0.00 0.00 179.01 178.72 1dps n ASN 165 N -2.41 1.33 -4.70 0.00 3.02 -0.94 -4.88 115.26 106.69 1dps n ASN 165 Ca 0.01 -1.10 -0.41 0.00 -0.03 0.00 0.00 54.58 53.05 1dps n ASN 165 Cb 0.20 0.21 -0.04 0.00 -0.61 0.00 0.00 39.78 39.54 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 -2.46 4.92 -2.00 2.41 1.01 -0.73 -5.01 121.20 119.34 1dps s ILE 166 Ca 0.24 1.79 0.12 0.00 0.00 0.00 0.00 60.65 62.80 1dps s ILE 166 Cb 0.19 -4.20 0.35 0.00 0.01 0.00 0.00 42.46 38.81 1dps s ILE 166 CO 0.52 0.15 1.17 -0.62 0.00 0.00 0.00 174.94 176.16