#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 3.99 0.29 2.23 1.43 -0.05 -5.02 118.68 121.54 1dps s LEU 15 Ca 0.00 1.62 -0.29 0.00 -1.03 0.00 0.00 54.13 54.43 1dps s LEU 15 Cb 0.00 -4.42 -0.10 0.00 0.03 0.00 0.00 46.19 41.70 1dps s LEU 15 CO 0.00 -0.31 1.29 -0.47 0.23 0.00 0.00 176.35 177.08 1dps s TYR 16 N -2.11 3.17 -0.05 0.29 5.04 -1.26 -4.55 117.35 117.88 1dps s TYR 16 Ca 0.60 1.38 -0.25 0.00 -2.44 0.00 0.00 57.07 56.36 1dps s TYR 16 Cb -0.10 -3.62 0.05 0.00 0.35 0.00 0.00 41.96 38.65 1dps s TYR 16 CO 0.14 -1.73 0.55 -0.08 -1.34 0.00 0.00 175.55 173.09 1dps s THR 17 N -0.78 0.02 -0.49 4.34 -1.32 -1.26 -5.00 115.64 111.15 1dps s THR 17 Ca 0.51 -0.15 0.24 0.00 -1.21 0.00 0.00 61.69 61.07 1dps s THR 17 Cb -0.38 -0.86 0.25 0.00 -1.51 0.00 0.00 72.50 70.00 1dps s THR 17 CO 0.47 -0.08 1.71 0.54 -2.21 0.00 0.00 174.62 175.05 1dps n ARG 18 N 1.18 0.20 -1.68 7.08 1.74 -1.26 -4.72 116.66 119.20 1dps n ARG 18 Ca -0.19 0.42 -0.45 0.00 -0.77 0.00 0.00 57.85 56.85 1dps n ARG 18 Cb 0.57 -1.87 -0.04 0.00 -1.02 0.00 0.00 32.46 30.10 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 -2.24 3.72 -1.49 0.55 2.85 -1.26 -4.89 115.26 112.49 1dps n ASN 19 Ca 0.02 0.97 0.06 0.00 -0.11 0.00 0.00 54.58 55.52 1dps n ASN 19 Cb 0.23 -1.46 0.30 0.00 1.24 0.00 0.00 39.78 40.10 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 6.25 4.40 -4.75 1.20 5.75 -1.26 -4.93 116.55 123.20 1dps n ASP 20 Ca 0.20 -2.62 -0.42 0.00 -0.01 0.00 0.00 54.79 51.94 1dps n ASP 20 Cb 0.34 -0.61 -0.01 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 0.54 1.39 -1.27 2.12 0.31 -1.26 -4.91 118.33 115.25 1dps n VAL 21 Ca 0.21 -0.35 -0.35 0.00 -0.01 0.00 0.00 64.34 63.84 1dps n VAL 21 Cb 0.91 -1.95 0.09 0.00 -0.91 0.00 0.00 33.84 31.98 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 1.53 0.16 -0.37 4.52 3.41 -1.26 -4.71 113.62 116.90 1dps n SER 22 Ca 0.06 0.62 0.02 0.00 -0.26 0.00 0.00 58.87 59.31 1dps n SER 22 Cb 0.37 -1.38 0.17 0.00 -0.26 0.00 0.00 64.21 63.11 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 -0.44 1.06 -0.19 4.04 5.19 -1.98 0.70 116.42 124.80 1dps h ASP 23 Ca -0.47 -0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 55.80 1dps h ASP 23 Cb 1.33 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 40.60 1dps h ASP 23 CO 0.45 0.70 -0.37 0.77 -3.12 0.00 0.00 179.24 177.67 1dps h SER 24 N 1.21 0.75 -0.00 6.45 4.64 -2.00 -1.44 113.55 123.16 1dps h SER 24 Ca 0.41 -0.33 -0.17 0.00 -0.47 0.00 0.00 61.79 61.23 1dps h SER 24 Cb 0.09 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 61.96 1dps h SER 24 CO -0.15 1.05 -0.58 -0.08 -0.87 0.00 0.00 176.83 176.20 1dps h GLU 25 N 0.59 0.60 0.07 4.77 4.81 -1.82 -2.18 114.58 121.42 1dps h GLU 25 Ca 0.05 -0.40 0.01 0.00 -0.13 0.00 0.00 59.36 58.89 1dps h GLU 25 Cb 0.91 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.32 1dps h GLU 25 CO 0.08 1.01 -0.10 0.87 -0.73 0.00 0.00 179.01 180.14 1dps h LYS 26 N 0.45 -0.21 -0.82 1.92 1.57 -0.71 -0.14 116.57 118.64 1dps h LYS 26 Ca 0.00 0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 1dps h LYS 26 Cb 1.15 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.47 1dps h LYS 26 CO 0.11 -0.14 0.36 0.87 -0.57 0.00 0.00 179.45 180.09 1dps h LYS 27 N -0.21 1.20 -0.45 3.15 1.57 -1.23 0.43 116.57 121.02 1dps h LYS 27 Ca 0.02 -0.20 -0.11 0.00 -1.87 0.00 0.00 60.65 58.49 1dps h LYS 27 Cb 0.22 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1dps h LYS 27 CO -0.05 0.94 -0.15 0.00 -0.57 0.00 0.00 179.45 179.62 1dps h ALA 28 N 1.19 0.87 -0.27 3.86 0.00 -1.20 -1.94 119.26 121.77 1dps h ALA 28 Ca 0.28 -0.35 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 1dps h ALA 28 Cb 0.17 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1dps h ALA 28 CO -0.03 0.64 -0.43 1.15 0.00 0.00 0.00 179.25 180.58 1dps h THR 29 N 0.76 1.29 -0.57 0.00 2.02 -0.72 -2.14 112.91 113.55 1dps h THR 29 Ca 0.12 -1.62 0.00 0.00 0.77 0.00 0.00 66.41 65.67 1dps h THR 29 Cb 0.68 1.66 -0.03 0.00 -1.74 0.00 0.00 68.15 68.72 1dps h THR 29 CO 0.05 0.52 0.36 0.58 0.37 0.00 0.00 175.52 177.40 1dps h VAL 30 N 0.53 1.16 -0.59 3.16 2.07 -0.82 -0.32 116.25 121.44 1dps h VAL 30 Ca 0.02 -0.33 -0.06 0.00 0.82 0.00 0.00 66.70 67.16 1dps h VAL 30 Cb 1.03 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1dps h VAL 30 CO 0.10 0.16 0.15 -0.33 0.02 0.00 0.00 177.57 177.66 1dps h GLU 31 N 0.77 0.95 -0.11 1.57 4.39 -1.28 -0.84 114.58 120.03 1dps h GLU 31 Ca 0.21 -0.23 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 1dps h GLU 31 Cb -0.05 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.47 1dps h GLU 31 CO -0.04 0.87 0.06 1.25 -1.16 0.00 0.00 179.01 179.98 1dps h LEU 32 N 0.86 0.14 -0.86 1.33 6.46 -1.09 -2.48 115.31 119.66 1dps h LEU 32 Ca 0.19 -0.10 -0.07 0.00 -0.12 0.00 0.00 57.88 57.78 1dps h LEU 32 Cb 0.35 -0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.22 1dps h LEU 32 CO 0.00 0.20 0.09 -0.07 -0.62 0.00 0.00 178.44 178.05 1dps h LEU 33 N 0.06 0.89 -1.12 2.25 3.38 -0.91 -2.66 115.31 117.20 1dps h LEU 33 Ca 0.04 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.74 1dps h LEU 33 Cb 0.10 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1dps h LEU 33 CO -0.01 0.90 -0.15 0.78 0.09 0.00 0.00 178.44 180.05 1dps h ASN 34 N 0.89 0.42 -0.48 -0.43 2.35 -1.05 -0.26 115.58 117.01 1dps h ASN 34 Ca 0.18 -0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 55.79 1dps h ASN 34 Cb 0.39 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 1dps h ASN 34 CO 0.01 0.60 0.17 0.03 -1.65 0.00 0.00 177.43 176.58 1dps h ARG 35 N 0.40 0.74 -0.37 0.81 3.08 -1.18 -1.91 114.38 115.95 1dps h ARG 35 Ca 0.07 -0.15 -0.05 0.00 0.07 0.00 0.00 59.98 59.92 1dps h ARG 35 Cb 0.50 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 1dps h ARG 35 CO 0.03 0.69 0.03 1.96 -1.07 0.00 0.00 179.97 181.61 1dps h GLN 36 N 0.64 0.63 -0.56 0.04 1.08 -1.12 -3.01 115.11 112.81 1dps h GLN 36 Ca 0.16 -0.18 0.07 0.00 -1.45 0.00 0.00 58.65 57.25 1dps h GLN 36 Cb 0.24 -0.07 -0.06 0.00 -0.05 0.00 0.00 27.48 27.55 1dps h GLN 36 CO -0.01 0.71 0.23 0.28 -0.95 0.00 0.00 178.83 179.09 1dps h VAL 37 N 0.45 0.83 0.22 -0.54 2.07 -0.84 -0.20 116.25 118.24 1dps h VAL 37 Ca 0.11 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.49 1dps h VAL 37 Cb 0.41 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1dps h VAL 37 CO 0.01 0.08 -0.25 0.40 0.02 0.00 0.00 177.57 177.83 1dps h ILE 38 N 0.43 0.45 0.00 4.57 2.04 -1.32 -0.65 117.51 123.02 1dps h ILE 38 Ca 0.27 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 66.02 1dps h ILE 38 Cb 0.28 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 1dps h ILE 38 CO -0.25 0.00 -0.52 0.06 0.00 0.00 0.00 178.15 177.43 1dps h GLN 39 N -0.52 0.00 -0.31 2.37 3.07 -1.35 -1.77 115.11 116.60 1dps h GLN 39 Ca 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 58.65 58.61 1dps h GLN 39 Cb 0.49 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.05 1dps h GLN 39 CO -0.08 0.52 -0.34 0.74 0.09 0.00 0.00 178.83 179.76 1dps h PHE 40 N 0.00 0.94 -0.24 0.06 -1.00 -0.90 -0.05 116.94 115.74 1dps h PHE 40 Ca -0.01 -0.29 -0.01 0.00 2.81 0.00 0.00 57.97 60.48 1dps h PHE 40 Cb 0.98 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 40.34 1dps h PHE 40 CO 0.00 1.07 0.12 0.82 -1.61 0.00 0.00 178.31 178.71 1dps h ILE 41 N 0.54 1.14 -0.56 -0.55 2.04 -0.99 -0.96 117.51 118.16 1dps h ILE 41 Ca 0.05 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 1dps h ILE 41 Cb 0.92 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.93 1dps h ILE 41 CO 0.08 0.14 0.31 -0.78 0.00 0.00 0.00 178.15 177.90 1dps h ASP 42 N 0.27 0.70 -0.68 1.72 3.58 -1.29 -1.47 116.42 119.24 1dps h ASP 42 Ca 0.08 -0.09 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 1dps h ASP 42 Cb 0.11 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 40.95 1dps h ASP 42 CO -0.01 0.58 0.41 0.25 -2.88 0.00 0.00 179.24 177.59 1dps h LEU 43 N 0.75 0.82 -0.91 2.28 5.85 -0.83 -1.15 115.31 122.13 1dps h LEU 43 Ca 0.20 -0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.77 1dps h LEU 43 Cb 0.04 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 1dps h LEU 43 CO -0.03 0.64 -0.29 0.77 -0.34 0.00 0.00 178.44 179.19 1dps h SER 44 N 0.95 0.47 -0.27 1.25 4.64 -0.39 -0.36 113.55 119.84 1dps h SER 44 Ca 0.25 -0.17 -0.13 0.00 -0.47 0.00 0.00 61.79 61.27 1dps h SER 44 Cb -0.03 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 61.93 1dps h SER 44 CO -0.05 0.74 -0.33 -0.07 -0.87 0.00 0.00 176.83 176.26 1dps h LEU 45 N 0.41 0.77 -1.03 5.97 3.38 -0.68 -3.08 115.31 121.05 1dps h LEU 45 Ca 0.06 -0.49 -0.06 0.00 0.09 0.00 0.00 57.88 57.47 1dps h LEU 45 Cb 0.71 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1dps h LEU 45 CO 0.05 1.10 0.00 0.40 0.09 0.00 0.00 178.44 180.09 1dps h ILE 46 N 0.45 1.23 -0.64 1.22 2.04 -1.06 -1.64 117.51 119.10 1dps h ILE 46 Ca 0.04 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 64.97 1dps h ILE 46 Cb 0.91 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.86 1dps h ILE 46 CO 0.08 0.32 0.41 0.74 0.00 0.00 0.00 178.15 179.70 1dps h THR 47 N 0.66 1.18 -0.17 -0.27 2.02 -1.02 -1.55 112.91 113.74 1dps h THR 47 Ca 0.13 -0.36 -0.20 0.00 0.77 0.00 0.00 66.41 66.76 1dps h THR 47 Cb 0.41 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.08 1dps h THR 47 CO 0.02 0.18 -0.69 0.11 0.37 0.00 0.00 175.52 175.51 1dps h LYS 48 N 0.87 0.70 -0.63 6.66 1.79 -1.42 -1.56 116.57 122.97 1dps h LYS 48 Ca 0.23 -0.52 0.08 0.00 -2.18 0.00 0.00 60.65 58.26 1dps h LYS 48 Cb -0.06 0.09 -0.06 0.00 -1.58 0.00 0.00 32.23 30.62 1dps h LYS 48 CO -0.05 1.14 0.30 0.37 -1.08 0.00 0.00 179.45 180.14 1dps h GLN 49 N 0.50 0.53 -0.07 3.15 5.75 -0.89 -0.92 115.11 123.15 1dps h GLN 49 Ca -0.02 -0.03 -0.04 0.00 -0.15 0.00 0.00 58.65 58.41 1dps h GLN 49 Cb 1.29 -0.12 -0.00 0.00 1.07 0.00 0.00 27.48 29.72 1dps h GLN 49 CO 0.14 0.35 -0.09 0.00 -2.65 0.00 0.00 178.83 176.57 1dps h ALA 50 N 1.38 0.11 -0.99 3.38 0.00 -1.26 -3.17 119.26 118.71 1dps h ALA 50 Ca 0.30 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1dps h ALA 50 Cb 0.28 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 1dps h ALA 50 CO -0.24 -0.05 0.65 1.25 0.00 0.00 0.00 179.25 180.86 1dps h HIS 51 N -0.26 1.20 -0.27 0.00 -0.00 -0.93 -2.59 115.15 112.30 1dps h HIS 51 Ca 0.01 0.03 -0.15 0.00 -0.00 0.00 0.00 60.37 60.26 1dps h HIS 51 Cb 0.63 -0.40 -0.01 0.00 -0.00 0.00 0.00 27.41 27.64 1dps h HIS 51 CO 0.10 0.66 -0.43 -1.49 -0.00 0.00 0.00 177.93 176.77 1dps h TRP 52 N 1.21 0.81 -0.59 5.26 6.55 -1.28 -3.33 115.95 124.58 1dps h TRP 52 Ca 0.41 -0.25 0.00 0.00 0.95 0.00 0.00 58.89 60.00 1dps h TRP 52 Cb 0.08 -0.17 0.00 0.00 -0.86 0.00 0.00 29.16 28.21 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 -4.02 5.02 -4.87 -3.49 3.02 -1.00 -4.99 115.26 104.93 1dps n ASN 53 Ca -0.02 -2.63 -0.25 0.00 -0.03 0.00 0.00 54.58 51.65 1dps n ASN 53 Cb 0.54 -0.62 -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 -2.22 3.12 -0.01 3.52 0.23 -1.05 -4.39 119.30 118.50 1dps s MET 54 Ca 0.50 -0.81 -0.28 0.00 -1.03 0.00 0.00 55.69 54.07 1dps s MET 54 Cb 0.35 -2.75 0.09 0.00 -1.53 0.00 0.00 34.83 30.99 1dps s MET 54 CO 0.20 0.47 0.75 -0.98 -2.03 0.00 0.00 175.02 173.44 1dps s ARG 55 N -3.38 0.99 0.00 3.16 1.70 -0.31 -4.95 118.95 116.16 1dps s ARG 55 Ca 0.33 -0.04 0.00 0.00 -0.47 0.00 0.00 55.73 55.55 1dps s ARG 55 Cb -0.10 0.46 0.00 0.00 -0.57 0.00 0.00 34.95 34.74 1dps s ARG 55 CO 0.26 -0.37 0.00 0.41 -1.08 0.00 0.00 175.30 174.52 1dps n GLY 56 N 0.36 0.39 3.60 3.88 0.00 -1.26 -1.70 105.19 110.45 1dps n GLY 56 Ca -0.15 -2.28 -0.46 0.00 0.00 0.00 0.00 46.02 43.13 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 -0.18 -2.14 4.61 0.00 -1.26 -2.19 120.51 118.35 1dps n ALA 57 Ca 0.00 0.42 -0.18 0.00 0.00 0.00 0.00 53.44 53.67 1dps n ALA 57 Cb 0.00 -2.07 -0.03 0.00 0.00 0.00 0.00 19.45 17.36 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 1.61 -5.28 0.37 0.00 5.15 -1.26 -4.79 115.26 111.06 1dps n ASN 58 Ca 0.12 0.10 -0.18 0.00 -0.60 0.00 0.00 54.58 54.02 1dps n ASN 58 Cb 0.29 -4.36 -0.09 0.00 -0.53 0.00 0.00 39.78 35.10 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 -0.96 -0.37 1.20 3.57 -1.82 -2.99 116.94 115.57 1dps h PHE 59 Ca -0.42 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.08 1dps h PHE 59 Cb 1.29 0.33 -0.02 0.00 2.79 0.00 0.00 35.95 40.34 1dps h PHE 59 CO 0.49 -0.57 0.23 0.97 -2.23 0.00 0.00 178.31 177.21 1dps h ILE 60 N -0.95 1.07 -0.37 1.41 6.09 -1.92 0.16 117.51 122.98 1dps h ILE 60 Ca -0.09 -0.16 -0.09 0.00 -1.37 0.00 0.00 64.86 63.15 1dps h ILE 60 Cb 0.76 0.55 -0.02 0.00 0.47 0.00 0.00 36.82 38.58 1dps h ILE 60 CO 0.11 0.09 -0.16 0.00 -3.07 0.00 0.00 178.15 175.12 1dps h ALA 61 N 1.15 1.02 -0.16 0.18 0.00 -2.00 -1.20 119.26 118.26 1dps h ALA 61 Ca 0.14 -0.33 -0.14 0.00 0.00 0.00 0.00 54.91 54.58 1dps h ALA 61 Cb -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1dps h ALA 61 CO -0.05 0.59 -0.46 0.28 0.00 0.00 0.00 179.25 179.61 1dps h VAL 62 N 0.61 1.34 -0.31 0.00 2.07 -1.34 -0.96 116.25 117.66 1dps h VAL 62 Ca 0.10 -1.72 0.05 0.00 0.82 0.00 0.00 66.70 65.95 1dps h VAL 62 Cb 0.62 1.99 -0.05 0.00 -1.52 0.00 0.00 31.29 32.33 1dps h VAL 62 CO 0.04 0.53 0.01 -0.74 0.02 0.00 0.00 177.57 177.43 1dps h HIS 63 N 0.25 0.01 -0.34 1.57 6.17 -0.50 -0.82 115.15 121.50 1dps h HIS 63 Ca -0.01 0.02 -0.14 0.00 0.71 0.00 0.00 60.37 60.95 1dps h HIS 63 Cb 1.08 0.04 -0.01 0.00 2.52 0.00 0.00 27.41 31.04 1dps h HIS 63 CO 0.10 -0.04 -0.36 0.93 0.71 0.00 0.00 177.93 179.27 1dps h GLU 64 N 0.11 0.78 -0.34 5.26 5.08 -1.24 -2.77 114.58 121.46 1dps h GLU 64 Ca 0.15 -0.39 0.01 0.00 -1.00 0.00 0.00 59.36 58.13 1dps h GLU 64 Cb 0.19 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1dps h GLU 64 CO -0.24 1.02 0.21 1.98 -1.00 0.00 0.00 179.01 180.98 1dps h MET 65 N 0.65 0.42 -0.38 2.33 4.05 -0.73 -2.22 114.93 119.05 1dps h MET 65 Ca 0.06 -0.03 -0.04 0.00 -0.28 0.00 0.00 59.70 59.42 1dps h MET 65 Cb 0.91 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 31.60 1dps h MET 65 CO 0.08 0.28 0.07 -0.07 0.23 0.00 0.00 176.91 177.50 1dps h LEU 66 N 0.43 0.52 -0.78 3.39 3.38 -1.12 -2.23 115.31 118.90 1dps h LEU 66 Ca 0.13 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1dps h LEU 66 Cb -0.02 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 1dps h LEU 66 CO -0.05 0.54 0.46 -0.78 0.09 0.00 0.00 178.44 178.70 1dps h ASP 67 N 0.55 0.95 -0.62 -0.43 3.58 -1.12 -1.98 116.42 117.34 1dps h ASP 67 Ca 0.13 -0.08 -0.06 0.00 0.42 0.00 0.00 57.03 57.44 1dps h ASP 67 Cb 0.25 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 41.03 1dps h ASP 67 CO 0.00 0.75 0.17 1.23 -2.88 0.00 0.00 179.24 178.51 1dps h GLY 68 N 1.08 1.09 0.99 -0.78 0.00 -1.02 -2.52 103.07 101.91 1dps h GLY 68 Ca 0.28 -0.65 0.01 0.00 0.00 0.00 0.00 47.33 46.97 1dps h GLY 68 CO -0.05 0.61 0.60 0.74 0.00 0.00 0.00 176.54 178.44 1dps h PHE 69 N 0.97 1.13 -0.62 5.60 0.04 -0.98 -2.65 116.94 120.42 1dps h PHE 69 Ca 0.21 0.03 0.03 0.00 2.80 0.00 0.00 57.97 61.03 1dps h PHE 69 Cb 0.33 -0.38 -0.04 0.00 2.20 0.00 0.00 35.95 38.06 1dps h PHE 69 CO 0.02 0.70 0.38 -0.09 -0.60 0.00 0.00 178.31 178.73 1dps h ARG 70 N 1.21 0.74 -0.29 1.51 1.12 -0.94 -0.96 114.38 116.78 1dps h ARG 70 Ca 0.33 -0.04 0.01 0.00 -1.11 0.00 0.00 59.98 59.17 1dps h ARG 70 Cb -0.12 -0.17 -0.02 0.00 -0.01 0.00 0.00 29.97 29.65 1dps h ARG 70 CO -0.08 0.49 0.18 1.15 -3.11 0.00 0.00 179.97 178.60 1dps h THR 71 N 0.76 1.06 -0.69 0.20 2.02 -1.30 -1.49 112.91 113.47 1dps h THR 71 Ca 0.25 -0.13 -0.03 0.00 0.77 0.00 0.00 66.41 67.27 1dps h THR 71 Cb 0.02 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 1dps h THR 71 CO -0.10 0.07 0.31 0.00 0.37 0.00 0.00 175.52 176.17 1dps h ALA 72 N 1.11 0.89 -0.56 6.16 0.00 -1.12 -2.39 119.26 123.35 1dps h ALA 72 Ca 0.11 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1dps h ALA 72 Cb -0.03 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 1dps h ALA 72 CO -0.03 0.47 0.31 -0.07 0.00 0.00 0.00 179.25 179.93 1dps h LEU 73 N 0.96 0.69 -1.25 0.00 3.38 -0.87 -1.55 115.31 116.68 1dps h LEU 73 Ca 0.23 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 1dps h LEU 73 Cb 0.15 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1dps h LEU 73 CO -0.03 0.58 -0.36 0.16 0.09 0.00 0.00 178.44 178.88 1dps h ILE 74 N 0.75 1.13 -0.24 1.22 3.07 -1.08 -1.42 117.51 120.93 1dps h ILE 74 Ca 0.20 -1.29 -0.12 0.00 1.55 0.00 0.00 64.86 65.19 1dps h ILE 74 Cb 0.04 1.72 -0.00 0.00 -0.27 0.00 0.00 36.82 38.31 1dps h ILE 74 CO -0.03 0.35 -0.32 0.44 -1.05 0.00 0.00 178.15 177.54 1dps h ASP 75 N 0.00 0.70 -0.28 2.16 3.32 -1.06 -2.03 116.42 119.23 1dps h ASP 75 Ca -0.00 -0.50 -0.03 0.00 0.02 0.00 0.00 57.03 56.51 1dps h ASP 75 Cb 0.69 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 1dps h ASP 75 CO 0.05 1.06 0.04 0.45 -1.72 0.00 0.00 179.24 179.12 1dps h HIS 76 N 0.35 0.49 -0.29 4.55 3.86 -1.04 -2.38 115.15 120.70 1dps h HIS 76 Ca 0.03 -0.07 -0.06 0.00 -1.16 0.00 0.00 60.37 59.11 1dps h HIS 76 Cb 0.90 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 29.22 1dps h HIS 76 CO 0.08 0.56 -0.09 1.37 0.86 0.00 0.00 177.93 180.71 1dps h LEU 77 N 0.27 0.45 -0.56 2.43 8.10 -1.31 -1.47 115.31 123.22 1dps h LEU 77 Ca 0.08 -0.10 -0.06 0.00 0.11 0.00 0.00 57.88 57.91 1dps h LEU 77 Cb 0.34 -0.12 -0.02 0.00 -0.44 0.00 0.00 40.66 40.42 1dps h LEU 77 CO 0.01 0.58 0.10 0.44 -4.11 0.00 0.00 178.44 175.46 1dps h ASP 78 N 0.44 0.88 -1.01 0.17 3.32 -1.26 -0.49 116.42 118.47 1dps h ASP 78 Ca 0.09 -0.26 0.01 0.00 0.02 0.00 0.00 57.03 56.89 1dps h ASP 78 Cb 0.43 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.70 1dps h ASP 78 CO 0.02 0.91 0.67 0.74 -1.72 0.00 0.00 179.24 179.86 1dps h THR 79 N 0.82 1.26 -0.24 0.35 2.02 -0.88 -0.53 112.91 115.70 1dps h THR 79 Ca 0.17 -0.47 -0.06 0.00 0.77 0.00 0.00 66.41 66.82 1dps h THR 79 Cb 0.40 -0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.58 1dps h THR 79 CO 0.01 0.25 -0.09 0.24 0.37 0.00 0.00 175.52 176.30 1dps h MET 80 N 1.36 0.49 -0.63 6.66 2.86 -1.01 -1.86 114.93 122.82 1dps h MET 80 Ca 0.37 -0.20 -0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1dps h MET 80 Cb -0.16 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.45 1dps h MET 80 CO -0.08 0.74 0.38 0.00 1.06 0.00 0.00 176.91 179.01 1dps h ALA 81 N 0.74 0.80 -0.80 6.32 0.00 -0.81 -2.02 119.26 123.48 1dps h ALA 81 Ca 0.06 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1dps h ALA 81 Cb 0.58 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1dps h ALA 81 CO 0.03 0.27 0.32 0.93 0.00 0.00 0.00 179.25 180.80 1dps h GLU 82 N 0.85 1.19 -0.49 0.00 5.08 -1.05 -2.37 114.58 117.79 1dps h GLU 82 Ca 0.23 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1dps h GLU 82 Cb -0.03 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.00 1dps h GLU 82 CO -0.04 0.96 0.21 -0.09 -1.00 0.00 0.00 179.01 179.05 1dps h ARG 83 N 1.16 0.73 -0.50 2.33 9.65 -1.09 -1.45 114.38 125.22 1dps h ARG 83 Ca 0.27 -0.12 0.06 0.00 -1.10 0.00 0.00 59.98 59.08 1dps h ARG 83 Cb 0.21 -0.12 -0.05 0.00 -1.39 0.00 0.00 29.97 28.61 1dps h ARG 83 CO -0.02 0.64 0.21 0.00 2.80 0.00 0.00 179.97 183.59 1dps h ALA 84 N 1.06 0.62 0.00 2.80 0.00 -1.13 -2.29 119.26 120.31 1dps h ALA 84 Ca 0.17 0.05 -0.12 0.00 0.00 0.00 0.00 54.91 55.01 1dps h ALA 84 Cb 0.17 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1dps h ALA 84 CO -0.02 -0.17 -0.55 -0.39 0.00 0.00 0.00 179.25 178.13 1dps h VAL 85 N 0.41 1.27 -0.22 0.00 -1.51 -1.26 -1.28 116.25 113.67 1dps h VAL 85 Ca 0.23 -1.97 -0.04 0.00 -1.23 0.00 0.00 66.70 63.69 1dps h VAL 85 Cb 0.20 2.10 -0.01 0.00 -2.13 0.00 0.00 31.29 31.45 1dps h VAL 85 CO -0.21 0.54 -0.05 1.56 -1.23 0.00 0.00 177.57 178.19 1dps h GLN 86 N 0.00 0.33 -0.37 5.19 4.20 -0.73 -1.37 115.11 122.36 1dps h GLN 86 Ca -0.01 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.64 1dps h GLN 86 Cb 1.05 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.78 1dps h GLN 86 CO 0.07 0.40 0.00 1.28 -0.67 0.00 0.00 178.83 179.91 1dps n LEU 87 N -4.31 1.58 0.00 1.46 4.77 -0.93 -4.89 117.00 114.68 1dps n LEU 87 Ca 0.00 -0.79 0.00 0.00 -0.03 0.00 0.00 56.01 55.19 1dps n LEU 87 Cb 0.23 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1dps n LEU 87 CO 0.38 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 1dps n GLY 88 N 0.76 0.74 4.00 -0.72 0.00 -0.51 -4.83 105.19 104.62 1dps n GLY 88 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 1dps n GLY 88 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1dps s GLY 89 N -1.85 1.75 -0.23 -0.02 0.00 -0.51 -0.87 107.32 105.59 1dps s GLY 89 Ca 0.00 -1.83 -0.03 0.00 0.00 0.00 0.00 44.72 42.85 1dps s GLY 89 CO 0.00 -1.18 -0.04 0.14 0.00 0.00 0.00 173.10 172.01 1dps s VAL 90 N -3.26 3.26 0.15 1.40 1.01 -1.26 -4.24 120.40 117.46 1dps s VAL 90 Ca 0.69 -0.65 -0.30 0.00 0.00 0.00 0.00 61.98 61.71 1dps s VAL 90 Cb -0.04 -2.54 -0.07 0.00 0.00 0.00 0.00 36.38 33.73 1dps s VAL 90 CO 0.46 0.34 1.13 0.00 0.00 0.00 0.00 175.10 177.03 1dps s ALA 91 N 1.44 3.37 -0.25 5.51 0.00 -1.26 -4.96 121.76 125.61 1dps s ALA 91 Ca 0.04 0.83 -0.02 0.00 0.00 0.00 0.00 51.96 52.81 1dps s ALA 91 Cb -0.15 -3.38 0.02 0.00 0.00 0.00 0.00 23.12 19.61 1dps s ALA 91 CO -0.03 -0.28 -0.05 -0.51 0.00 0.00 0.00 175.76 174.89 1dps s LEU 92 N 0.02 3.22 0.00 0.00 1.43 -1.26 -4.96 118.68 117.13 1dps s LEU 92 Ca 0.52 -0.83 0.18 0.00 -1.03 0.00 0.00 54.13 52.97 1dps s LEU 92 Cb -0.29 -1.69 0.30 0.00 0.03 0.00 0.00 46.19 44.53 1dps s LEU 92 CO 0.34 -0.13 1.11 0.61 0.23 0.00 0.00 176.35 178.51 1dps n GLY 93 N 4.69 0.85 3.89 -3.19 0.00 -1.26 -4.56 105.19 105.62 1dps n GLY 93 Ca -0.16 -0.58 -0.29 0.00 0.00 0.00 0.00 46.02 44.98 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 4.84 0.26 2.61 -4.23 -1.26 -4.92 115.64 112.94 1dps s THR 94 Ca 0.23 0.44 -0.02 0.00 -1.18 0.00 0.00 61.69 61.17 1dps s THR 94 Cb 0.27 -3.85 0.24 0.00 1.34 0.00 0.00 72.50 70.50 1dps s THR 94 CO -0.12 -0.88 1.80 0.74 -0.54 0.00 0.00 174.62 175.62 1dps h THR 95 N 0.22 0.84 -0.60 3.99 2.02 -1.99 -1.03 112.91 116.36 1dps h THR 95 Ca -0.46 -0.26 -0.04 0.00 0.77 0.00 0.00 66.41 66.42 1dps h THR 95 Cb 1.20 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 1dps h THR 95 CO 0.62 0.14 0.23 1.56 0.37 0.00 0.00 175.52 178.44 1dps h GLN 96 N 0.77 0.90 -0.20 6.66 7.50 -1.99 -0.07 115.11 128.67 1dps h GLN 96 Ca 0.45 -0.17 -0.04 0.00 0.50 0.00 0.00 58.65 59.39 1dps h GLN 96 Cb 0.52 -0.14 -0.01 0.00 0.05 0.00 0.00 27.48 27.90 1dps h GLN 96 CO -0.30 0.77 -0.02 0.28 -1.50 0.00 0.00 178.83 178.06 1dps h VAL 97 N 0.83 1.27 -0.37 -0.54 2.07 -1.81 -2.25 116.25 115.46 1dps h VAL 97 Ca 0.20 -0.95 -0.02 0.00 0.82 0.00 0.00 66.70 66.75 1dps h VAL 97 Cb 0.21 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 1dps h VAL 97 CO -0.02 0.29 0.17 0.40 0.02 0.00 0.00 177.57 178.43 1dps h ILE 98 N 0.12 1.17 -0.72 4.57 2.04 -1.07 0.50 117.51 124.12 1dps h ILE 98 Ca 0.05 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 1dps h ILE 98 Cb 0.44 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 1dps h ILE 98 CO 0.01 0.19 0.40 -1.13 0.00 0.00 0.00 178.15 177.63 1dps h ASN 99 N 0.45 0.89 0.53 1.72 -0.73 -1.02 0.71 115.58 118.13 1dps h ASN 99 Ca 0.13 -0.07 -0.21 0.00 1.87 0.00 0.00 56.30 58.02 1dps h ASN 99 Cb 0.14 -0.22 -0.01 0.00 0.27 0.00 0.00 38.32 38.50 1dps h ASN 99 CO -0.01 0.71 -0.91 -1.28 -0.37 0.00 0.00 177.43 175.57 1dps h SER 100 N 1.01 0.32 -0.00 1.15 0.87 -1.07 -3.38 113.55 112.45 1dps h SER 100 Ca 0.26 -0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1dps h SER 100 Cb 0.01 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 1dps h SER 100 CO -0.04 1.07 -0.26 0.29 -0.53 0.00 0.00 176.83 177.36 1dps n LYS 101 N -3.67 3.12 -1.79 2.24 5.02 0.14 -5.04 118.16 118.17 1dps n LYS 101 Ca -0.04 -0.32 -0.41 0.00 -2.02 0.00 0.00 58.31 55.52 1dps n LYS 101 Cb 0.82 -0.97 -0.01 0.00 -0.02 0.00 0.00 35.03 34.85 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 -1.45 2.09 -2.02 -0.18 -1.32 0.22 -4.88 115.64 108.10 1dps s THR 102 Ca 0.05 0.08 0.28 0.00 -1.21 0.00 0.00 61.69 60.89 1dps s THR 102 Cb 0.06 -3.05 0.50 0.00 -1.51 0.00 0.00 72.50 68.51 1dps s THR 102 CO 0.26 0.01 1.79 -0.81 -2.21 0.00 0.00 174.62 173.67 1dps n PRO 103 N 1.72 1.11 -3.25 7.08 -0.04 -1.26 -4.89 135.00 135.48 1dps n PRO 103 Ca 0.06 -0.53 -0.38 0.00 -0.04 0.00 0.00 63.50 62.61 1dps n PRO 103 Cb 0.38 -1.49 -0.06 0.00 -0.04 0.00 0.00 33.50 32.29 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 -2.25 4.29 0.29 1.53 1.43 -1.26 -5.05 118.68 117.67 1dps s LEU 104 Ca 0.33 0.92 -0.29 0.00 -1.03 0.00 0.00 54.13 54.06 1dps s LEU 104 Cb 0.20 -2.80 -0.10 0.00 0.03 0.00 0.00 46.19 43.52 1dps s LEU 104 CO 0.42 -0.02 1.39 -0.75 0.23 0.00 0.00 176.35 177.62 1dps s LYS 105 N 0.61 4.29 -0.05 1.70 2.20 -1.26 -4.88 119.74 122.34 1dps s LYS 105 Ca 0.29 2.29 -0.40 0.00 -0.36 0.00 0.00 55.97 57.79 1dps s LYS 105 Cb -0.16 -3.08 -0.19 0.00 -1.51 0.00 0.00 37.83 32.89 1dps s LYS 105 CO 0.13 -0.34 1.27 0.45 -0.36 0.00 0.00 175.35 176.50 1dps n SER 106 N 1.56 0.86 -4.73 1.43 2.88 -1.26 -4.88 113.62 109.47 1dps n SER 106 Ca 0.04 1.14 -0.41 0.00 -1.33 0.00 0.00 58.87 58.31 1dps n SER 106 Cb 0.41 -1.02 -0.04 0.00 -0.75 0.00 0.00 64.21 62.81 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 0.79 3.59 0.13 0.66 5.04 -1.26 -4.97 117.35 121.33 1dps s TYR 107 Ca 0.91 1.58 -0.31 0.00 -2.44 0.00 0.00 57.07 56.81 1dps s TYR 107 Cb -1.18 -3.27 -0.10 0.00 0.35 0.00 0.00 41.96 37.76 1dps s TYR 107 CO 0.57 -0.62 1.71 -1.25 -1.34 0.00 0.00 175.55 174.62 1dps s PRO 108 N -0.17 4.17 0.00 4.97 0.04 -1.26 -4.91 135.00 137.83 1dps s PRO 108 Ca 0.50 2.48 0.26 0.00 0.04 0.00 0.00 61.00 64.29 1dps s PRO 108 Cb -0.29 -3.41 0.72 0.00 0.04 0.00 0.00 34.50 31.57 1dps s PRO 108 CO 0.34 -0.75 1.55 1.28 0.04 0.00 0.00 177.00 179.46 1dps n LEU 109 N 4.99 1.47 -0.49 -3.56 4.77 -1.26 -4.29 117.00 118.63 1dps n LEU 109 Ca 0.16 -0.46 0.07 0.00 -0.03 0.00 0.00 56.01 55.75 1dps n LEU 109 Cb 0.38 -0.06 0.17 0.00 -2.33 0.00 0.00 43.42 41.58 1dps n LEU 109 CO 0.64 0.26 0.62 -0.90 -1.33 0.00 0.00 177.39 176.68 1dps n ASP 110 N -0.12 3.00 -4.82 -1.43 5.75 -1.26 -5.02 116.55 112.65 1dps n ASP 110 Ca 0.14 -2.66 -0.29 0.00 -0.01 0.00 0.00 54.79 51.97 1dps n ASP 110 Cb 0.39 -0.36 -0.06 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 -2.16 4.73 0.00 2.12 -4.36 -1.26 -5.04 121.20 115.23 1dps s ILE 111 Ca 0.29 -0.76 0.00 0.00 -0.26 0.00 0.00 60.65 59.92 1dps s ILE 111 Cb 0.23 -3.32 0.00 0.00 1.25 0.00 0.00 42.46 40.61 1dps s ILE 111 CO 0.07 0.07 0.00 1.41 0.24 0.00 0.00 174.94 176.73 1dps n HIS 112 N 0.20 0.00 -1.62 1.37 8.25 -1.26 -4.82 115.22 117.34 1dps n HIS 112 Ca -0.08 0.00 -0.49 0.00 -0.26 0.00 0.00 57.72 56.89 1dps n HIS 112 Cb 0.52 0.07 -0.05 0.00 1.12 0.00 0.00 29.99 31.65 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 -2.01 2.12 -0.29 0.41 5.15 -1.26 -1.16 115.26 118.22 1dps n ASN 113 Ca 0.00 1.12 0.10 0.00 -0.60 0.00 0.00 54.58 55.19 1dps n ASN 113 Cb 0.17 -1.29 0.26 0.00 -0.53 0.00 0.00 39.78 38.39 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 3.24 0.59 -0.75 3.44 2.07 -1.64 -1.13 116.25 122.08 1dps h VAL 114 Ca -0.46 -0.17 -0.04 0.00 0.82 0.00 0.00 66.70 66.86 1dps h VAL 114 Cb 1.31 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 1dps h VAL 114 CO 0.79 0.09 0.31 1.56 0.02 0.00 0.00 177.57 180.33 1dps h GLN 115 N 0.48 1.10 -0.29 1.57 1.08 -1.89 -0.11 115.11 117.06 1dps h GLN 115 Ca 0.50 -0.19 -0.04 0.00 -1.45 0.00 0.00 58.65 57.47 1dps h GLN 115 Cb 0.85 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 28.08 1dps h GLN 115 CO -0.45 0.89 0.03 -0.44 -0.95 0.00 0.00 178.83 177.90 1dps h ASP 116 N 1.08 0.49 -0.75 1.46 3.32 -1.59 -2.37 116.42 118.05 1dps h ASP 116 Ca 0.25 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 1dps h ASP 116 Cb 0.19 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.57 1dps h ASP 116 CO -0.02 0.65 0.44 0.45 -1.72 0.00 0.00 179.24 179.03 1dps h HIS 117 N 0.31 1.00 -0.82 4.55 3.86 -1.15 -2.34 115.15 120.56 1dps h HIS 117 Ca 0.09 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.27 1dps h HIS 117 Cb 0.38 -0.33 -0.04 0.00 1.06 0.00 0.00 27.41 28.49 1dps h HIS 117 CO 0.03 0.68 0.43 -0.07 0.86 0.00 0.00 177.93 179.87 1dps h LEU 118 N 1.03 1.04 -0.42 2.43 3.38 -0.87 0.02 115.31 121.91 1dps h LEU 118 Ca 0.27 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 58.05 1dps h LEU 118 Cb -0.02 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 1dps h LEU 118 CO -0.05 0.84 -0.11 0.11 0.09 0.00 0.00 178.44 179.33 1dps h LYS 119 N 1.15 0.81 -0.67 1.13 1.57 -1.15 0.28 116.57 119.70 1dps h LYS 119 Ca 0.29 -0.31 -0.08 0.00 -1.87 0.00 0.00 60.65 58.68 1dps h LYS 119 Cb 0.05 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 1dps h LYS 119 CO -0.04 0.93 0.11 0.93 -0.57 0.00 0.00 179.45 180.81 1dps h GLU 120 N 0.63 1.10 -0.33 3.15 4.39 -1.15 -2.47 114.58 119.90 1dps h GLU 120 Ca 0.10 -0.29 -0.17 0.00 0.34 0.00 0.00 59.36 59.35 1dps h GLU 120 Cb 0.64 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1dps h GLU 120 CO 0.04 1.00 -0.46 -0.07 -1.16 0.00 0.00 179.01 178.37 1dps h LEU 121 N 1.03 0.93 -0.83 1.33 3.38 -0.89 -2.88 115.31 117.39 1dps h LEU 121 Ca 0.20 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 1dps h LEU 121 Cb 0.43 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 1dps h LEU 121 CO 0.01 1.24 0.51 0.00 0.09 0.00 0.00 178.44 180.30 1dps h ALA 122 N 0.79 1.05 -0.50 1.53 0.00 -0.78 0.18 119.26 121.54 1dps h ALA 122 Ca 0.04 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1dps h ALA 122 Cb 1.04 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1dps h ALA 122 CO 0.10 0.50 0.17 -0.44 0.00 0.00 0.00 179.25 179.59 1dps h ASP 123 N 1.13 0.71 0.02 0.00 3.32 -1.44 -0.30 116.42 119.86 1dps h ASP 123 Ca 0.30 -0.19 -0.21 0.00 0.02 0.00 0.00 57.03 56.95 1dps h ASP 123 Cb -0.07 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.30 1dps h ASP 123 CO -0.06 0.71 -0.77 0.03 -1.72 0.00 0.00 179.24 177.42 1dps h ARG 124 N 0.66 0.64 -0.62 3.56 3.08 -1.25 -2.30 114.38 118.16 1dps h ARG 124 Ca 0.16 -0.53 -0.05 0.00 0.07 0.00 0.00 59.98 59.63 1dps h ARG 124 Cb 0.24 0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 1dps h ARG 124 CO -0.01 1.15 0.17 1.88 -1.07 0.00 0.00 179.97 182.08 1dps h TYR 125 N 0.43 0.99 -0.59 3.04 -1.99 -0.61 -2.49 116.97 115.74 1dps h TYR 125 Ca -0.05 -0.10 -0.07 0.00 2.00 0.00 0.00 58.73 60.51 1dps h TYR 125 Cb 1.38 -0.29 -0.02 0.00 2.00 0.00 0.00 36.73 39.80 1dps h TYR 125 CO 0.07 0.81 0.08 0.00 -0.00 0.00 0.00 178.16 179.12 1dps h ALA 126 N 1.26 1.01 0.04 3.88 0.00 -0.90 0.15 119.26 124.71 1dps h ALA 126 Ca 0.20 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1dps h ALA 126 Cb 0.31 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1dps h ALA 126 CO -0.00 0.62 -0.09 0.82 0.00 0.00 0.00 179.25 180.60 1dps h ILE 127 N 0.91 0.78 -0.13 0.00 1.08 -1.01 -0.55 117.51 118.59 1dps h ILE 127 Ca 0.18 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.64 1dps h ILE 127 Cb 0.43 0.78 -0.00 0.00 -3.07 0.00 0.00 36.82 34.96 1dps h ILE 127 CO 0.01 0.00 0.01 0.58 -0.69 0.00 0.00 178.15 178.07 1dps h VAL 128 N -0.18 1.23 -0.24 1.67 2.07 -1.25 -2.02 116.25 117.55 1dps h VAL 128 Ca 0.02 -0.74 0.02 0.00 0.82 0.00 0.00 66.70 66.83 1dps h VAL 128 Cb 0.19 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 1dps h VAL 128 CO -0.06 0.22 0.08 0.00 0.02 0.00 0.00 177.57 177.83 1dps h ALA 129 N 0.78 0.26 -0.52 1.67 0.00 -0.60 -0.50 119.26 120.34 1dps h ALA 129 Ca 0.04 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1dps h ALA 129 Cb 0.32 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1dps h ALA 129 CO 0.00 -0.33 0.02 -0.91 0.00 0.00 0.00 179.25 178.03 1dps h ASN 130 N 0.19 0.84 -0.16 0.00 2.35 -1.12 -1.78 115.58 115.90 1dps h ASN 130 Ca 0.10 -0.21 -0.07 0.00 -0.55 0.00 0.00 56.30 55.57 1dps h ASN 130 Cb 0.07 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.21 1dps h ASN 130 CO -0.10 0.89 -0.19 -0.78 -1.65 0.00 0.00 177.43 175.60 1dps h ASP 131 N 0.81 0.44 0.22 5.81 3.58 -1.08 -2.54 116.42 123.66 1dps h ASP 131 Ca 0.16 -0.50 -0.09 0.00 0.42 0.00 0.00 57.03 57.02 1dps h ASP 131 Cb 0.46 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.37 1dps h ASP 131 CO 0.02 0.86 -0.34 1.62 -2.88 0.00 0.00 179.24 178.51 1dps h VAL 132 N 0.04 1.27 -0.49 2.25 3.04 -1.06 -0.92 116.25 120.39 1dps h VAL 132 Ca 0.02 -1.32 -0.09 0.00 -1.01 0.00 0.00 66.70 64.31 1dps h VAL 132 Cb 0.74 1.58 -0.02 0.00 -2.01 0.00 0.00 31.29 31.59 1dps h VAL 132 CO 0.05 0.39 -0.05 -0.09 -1.01 0.00 0.00 177.57 176.86 1dps h ARG 133 N 0.17 0.85 -0.39 4.17 2.43 -1.30 -2.38 114.38 117.92 1dps h ARG 133 Ca 0.02 -0.26 -0.16 0.00 -0.81 0.00 0.00 59.98 58.77 1dps h ARG 133 Cb 0.69 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 1dps h ARG 133 CO 0.05 0.88 -0.38 -0.22 -1.51 0.00 0.00 179.97 178.79 1dps h LYS 134 N 0.78 0.94 -0.37 0.20 3.64 -1.13 -3.10 116.57 117.53 1dps h LYS 134 Ca 0.14 -0.50 0.05 0.00 -1.27 0.00 0.00 60.65 59.07 1dps h LYS 134 Cb 0.54 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 1dps h LYS 134 CO 0.03 1.15 0.25 0.00 -2.27 0.00 0.00 179.45 178.61 1dps h ALA 135 N 0.77 1.95 -0.43 5.00 0.00 -0.69 -2.46 119.26 123.40 1dps h ALA 135 Ca 0.06 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.02 1dps h ALA 135 Cb 0.98 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 1dps h ALA 135 CO 0.09 -0.01 0.12 0.82 0.00 0.00 0.00 179.25 180.27 1dps h ILE 136 N 0.31 0.81 0.00 0.00 2.04 -1.37 -1.16 117.51 118.15 1dps h ILE 136 Ca 0.16 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.93 1dps h ILE 136 Cb 0.24 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1dps h ILE 136 CO -0.03 0.05 0.00 1.23 0.00 0.00 0.00 178.15 179.39 1dps h GLY 137 N 0.26 0.00 0.00 5.37 0.00 -1.58 -2.93 103.07 104.19 1dps h GLY 137 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 1dps h GLY 137 CO -0.25 0.00 -1.34 1.18 0.00 0.00 0.00 176.54 176.13 1dps n GLU 138 N -2.34 0.29 -2.36 4.80 1.02 -0.51 -4.88 120.64 116.67 1dps n GLU 138 Ca 0.01 -0.07 -0.42 0.00 -0.02 0.00 0.00 57.16 56.66 1dps n GLU 138 Cb 0.19 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.09 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 -3.16 2.83 0.21 0.62 0.00 -0.79 -4.88 121.76 116.60 1dps s ALA 139 Ca 0.02 -0.54 0.12 0.00 0.00 0.00 0.00 51.96 51.57 1dps s ALA 139 Cb 0.15 -4.07 0.33 0.00 0.00 0.00 0.00 23.12 19.52 1dps s ALA 139 CO 0.87 -2.85 1.58 0.87 0.00 0.00 0.00 175.76 176.23 1dps h LYS 140 N 11.21 0.00 -6.32 0.00 1.79 -1.89 -3.43 116.57 117.93 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 1.16 0.62 1.00 0.34 -1.08 0.00 0.00 179.45 181.49 1dps s ASP 141 N -6.72 6.62 0.20 0.86 2.15 -1.26 -4.93 116.67 113.59 1dps s ASP 141 Ca -0.00 1.35 -0.11 0.00 0.43 0.00 0.00 52.55 54.22 1dps s ASP 141 Cb 0.12 -2.54 0.25 0.00 -0.30 0.00 0.00 42.92 40.44 1dps s ASP 141 CO 0.75 -1.10 1.74 0.44 -0.17 0.00 0.00 175.17 176.83 1dps h ASP 142 N 9.56 0.17 -0.97 -0.34 3.32 -2.00 -1.40 116.42 124.75 1dps h ASP 142 Ca -0.28 0.08 0.01 0.00 0.02 0.00 0.00 57.03 56.86 1dps h ASP 142 Cb 1.11 0.07 -0.05 0.00 0.22 0.00 0.00 39.33 40.68 1dps h ASP 142 CO 1.02 0.11 0.64 0.44 -1.72 0.00 0.00 179.24 179.74 1dps h ASP 143 N 0.36 1.11 -0.42 6.45 3.32 -1.96 -1.34 116.42 123.94 1dps h ASP 143 Ca 0.29 -0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.23 1dps h ASP 143 Cb 0.35 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1dps h ASP 143 CO -0.30 0.80 -0.06 0.74 -1.72 0.00 0.00 179.24 178.69 1dps h THR 144 N 1.31 1.27 -0.93 0.35 2.02 -1.80 -1.62 112.91 113.50 1dps h THR 144 Ca 0.36 -1.14 0.05 0.00 0.77 0.00 0.00 66.41 66.45 1dps h THR 144 Cb -0.13 1.16 -0.06 0.00 -1.74 0.00 0.00 68.15 67.39 1dps h THR 144 CO -0.09 0.39 0.61 0.00 0.37 0.00 0.00 175.52 176.80 1dps h ALA 145 N 0.87 1.43 -0.03 6.16 0.00 -0.82 -0.23 119.26 126.64 1dps h ALA 145 Ca 0.11 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1dps h ALA 145 Cb 0.58 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1dps h ALA 145 CO 0.03 0.46 0.01 0.22 0.00 0.00 0.00 179.25 179.98 1dps h ASP 146 N 1.14 0.04 -0.50 0.00 3.58 -1.03 -0.58 116.42 119.07 1dps h ASP 146 Ca 0.38 -0.22 0.08 0.00 0.42 0.00 0.00 57.03 57.69 1dps h ASP 146 Cb 0.07 -0.01 -0.07 0.00 1.72 0.00 0.00 39.33 41.04 1dps h ASP 146 CO -0.13 0.25 0.12 0.40 -2.88 0.00 0.00 179.24 177.00 1dps h ILE 147 N -0.17 0.75 -0.08 2.25 2.04 -0.73 -1.84 117.51 119.73 1dps h ILE 147 Ca 0.01 -0.09 -0.07 0.00 1.00 0.00 0.00 64.86 65.71 1dps h ILE 147 Cb 0.22 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1dps h ILE 147 CO -0.00 0.05 -0.27 -0.07 0.00 0.00 0.00 178.15 177.86 1dps h LEU 148 N 0.26 0.15 -0.42 1.44 3.38 -0.90 -2.30 115.31 116.93 1dps h LEU 148 Ca 0.25 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 58.08 1dps h LEU 148 Cb 0.32 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1dps h LEU 148 CO -0.31 0.42 -0.11 0.74 0.09 0.00 0.00 178.44 179.27 1dps h THR 149 N 0.14 1.27 -0.59 0.22 2.02 -0.41 0.94 112.91 116.50 1dps h THR 149 Ca 0.02 -1.21 -0.03 0.00 0.77 0.00 0.00 66.41 65.95 1dps h THR 149 Cb 0.55 1.19 -0.03 0.00 -1.74 0.00 0.00 68.15 68.13 1dps h THR 149 CO 0.04 0.41 0.23 0.00 0.37 0.00 0.00 175.52 176.57 1dps h ALA 150 N 0.85 0.76 -0.42 6.16 0.00 -1.15 -1.22 119.26 124.25 1dps h ALA 150 Ca 0.10 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1dps h ALA 150 Cb 0.64 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1dps h ALA 150 CO 0.04 0.38 0.19 0.00 0.00 0.00 0.00 179.25 179.87 1dps h ALA 151 N 1.08 0.55 -0.55 0.00 0.00 -1.29 -2.88 119.26 116.16 1dps h ALA 151 Ca 0.20 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1dps h ALA 151 Cb 0.21 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1dps h ALA 151 CO -0.02 0.12 0.04 1.03 0.00 0.00 0.00 179.25 180.43 1dps h SER 152 N 0.54 0.88 -0.91 0.00 0.87 -0.55 -0.49 113.55 113.88 1dps h SER 152 Ca 0.14 -0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1dps h SER 152 Cb 0.15 -0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 61.83 1dps h SER 152 CO -0.02 0.91 0.57 0.03 -0.53 0.00 0.00 176.83 177.80 1dps h ARG 153 N 0.85 1.22 -0.20 2.24 3.08 -1.15 -0.50 114.38 119.92 1dps h ARG 153 Ca 0.17 -0.10 -0.07 0.00 0.07 0.00 0.00 59.98 60.05 1dps h ARG 153 Cb 0.45 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 1dps h ARG 153 CO 0.02 0.84 -0.16 -0.44 -1.07 0.00 0.00 179.97 179.16 1dps h ASP 154 N 1.25 0.49 -0.78 7.04 3.32 -1.22 -2.25 116.42 124.27 1dps h ASP 154 Ca 0.33 -0.45 0.05 0.00 0.02 0.00 0.00 57.03 56.98 1dps h ASP 154 Cb -0.09 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.27 1dps h ASP 154 CO -0.07 0.84 0.48 -0.07 -1.72 0.00 0.00 179.24 178.70 1dps h LEU 155 N 0.15 0.76 -0.82 1.55 -0.00 -0.84 0.27 115.31 116.38 1dps h LEU 155 Ca 0.04 0.01 -0.10 0.00 -0.00 0.00 0.00 57.88 57.83 1dps h LEU 155 Cb 0.68 -0.15 -0.01 0.00 -0.00 0.00 0.00 40.66 41.17 1dps h LEU 155 CO 0.04 0.51 -0.21 0.44 -0.00 0.00 0.00 178.44 179.22 1dps h ASP 156 N 0.90 0.65 -0.28 -0.43 5.19 -1.09 -0.19 116.42 121.18 1dps h ASP 156 Ca 0.33 -0.22 -0.06 0.00 -0.62 0.00 0.00 57.03 56.46 1dps h ASP 156 Cb 0.10 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.43 1dps h ASP 156 CO -0.15 0.86 -0.08 0.50 -3.12 0.00 0.00 179.24 177.26 1dps h LYS 157 N 0.58 0.54 -0.68 3.56 3.64 -0.77 -2.44 116.57 120.99 1dps h LYS 157 Ca 0.09 -0.21 -0.06 0.00 -1.27 0.00 0.00 60.65 59.20 1dps h LYS 157 Cb 0.67 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.43 1dps h LYS 157 CO 0.05 0.75 0.20 0.74 -2.27 0.00 0.00 179.45 178.92 1dps h PHE 158 N 0.29 1.11 -0.27 1.91 0.04 -0.78 -0.70 116.94 118.55 1dps h PHE 158 Ca 0.07 -0.12 0.00 0.00 2.80 0.00 0.00 57.97 60.72 1dps h PHE 158 Cb 0.56 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 38.37 1dps h PHE 158 CO 0.05 0.90 0.17 1.25 -0.60 0.00 0.00 178.31 180.08 1dps h LEU 159 N 1.00 0.32 -0.25 1.54 5.85 -1.04 -1.38 115.31 121.35 1dps h LEU 159 Ca 0.22 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.92 1dps h LEU 159 Cb 0.32 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 1dps h LEU 159 CO -0.00 0.25 0.13 -0.25 -0.34 0.00 0.00 178.44 178.23 1dps h TRP 160 N 0.35 0.24 -0.84 1.25 7.01 -1.14 -0.80 115.95 122.03 1dps h TRP 160 Ca 0.10 0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.16 1dps h TRP 160 Cb -0.01 -0.07 -0.06 0.00 -2.10 0.00 0.00 29.16 26.92 1dps h TRP 160 CO -0.05 0.14 0.53 0.74 -2.79 0.00 0.00 178.44 177.01 1dps h PHE 161 N 0.27 0.98 0.06 2.65 -1.00 -0.88 0.12 116.94 119.15 1dps h PHE 161 Ca 0.10 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.90 1dps h PHE 161 Cb 0.01 -0.32 0.00 0.00 3.61 0.00 0.00 35.95 39.25 1dps h PHE 161 CO -0.09 0.53 -0.03 0.82 -1.61 0.00 0.00 178.31 177.93 1dps h ILE 162 N 0.99 1.12 -0.96 -0.55 2.04 -0.95 -3.00 117.51 116.20 1dps h ILE 162 Ca 0.35 -0.62 0.01 0.00 1.00 0.00 0.00 64.86 65.60 1dps h ILE 162 Cb 0.10 1.53 -0.05 0.00 -0.74 0.00 0.00 36.82 37.66 1dps h ILE 162 CO -0.15 0.15 0.63 -0.33 0.00 0.00 0.00 178.15 178.46 1dps h GLU 163 N -0.36 1.27 0.00 2.37 5.08 -0.89 -2.09 114.58 119.95 1dps h GLU 163 Ca -0.01 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1dps h GLU 163 Cb 0.31 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1dps h GLU 163 CO 0.01 0.84 0.00 0.00 -1.00 0.00 0.00 179.01 178.87 1dps n ASN 165 N -2.61 1.25 -4.68 0.00 3.02 -0.79 -4.86 115.26 106.58 1dps n ASN 165 Ca 0.00 -1.06 -0.41 0.00 -0.03 0.00 0.00 54.58 53.08 1dps n ASN 165 Cb 0.18 0.16 -0.04 0.00 -0.61 0.00 0.00 39.78 39.47 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 -2.43 4.91 -2.00 2.41 1.01 -0.75 -4.99 121.20 119.35 1dps s ILE 166 Ca 0.25 1.66 0.12 0.00 0.00 0.00 0.00 60.65 62.68 1dps s ILE 166 Cb 0.19 -4.15 0.34 0.00 0.01 0.00 0.00 42.46 38.86 1dps s ILE 166 CO 0.50 0.08 1.15 -0.62 0.00 0.00 0.00 174.94 176.06