#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dsx s ARG 34 N 0.00 1.22 0.24 3.44 0.52 -1.26 -0.71 118.95 122.39 1dsx s ARG 34 Ca 0.00 -0.79 0.10 0.00 -0.52 0.00 0.00 55.73 54.51 1dsx s ARG 34 Cb 0.00 -1.27 -0.05 0.00 0.52 0.00 0.00 34.95 34.16 1dsx s ARG 34 CO 0.00 0.33 -0.18 0.14 0.02 0.00 0.00 175.30 175.61 1dsx s VAL 35 N -0.71 2.11 -0.18 3.52 -7.23 -0.20 -4.89 120.40 112.82 1dsx s VAL 35 Ca 0.05 -2.27 -0.08 0.00 -1.81 0.00 0.00 61.98 57.87 1dsx s VAL 35 Cb -0.08 -2.15 -0.04 0.00 0.56 0.00 0.00 36.38 34.67 1dsx s VAL 35 CO 0.01 -0.46 0.10 -0.69 -0.31 0.00 0.00 175.10 173.75 1dsx s VAL 36 N -2.63 5.14 -0.23 1.32 1.01 -1.26 -1.63 120.40 122.12 1dsx s VAL 36 Ca 0.25 0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.35 1dsx s VAL 36 Cb -0.03 -3.32 0.05 0.00 0.00 0.00 0.00 36.38 33.07 1dsx s VAL 36 CO 0.11 0.47 -0.14 -0.63 0.00 0.00 0.00 175.10 174.91 1dsx s ILE 37 N 0.19 2.13 -0.38 2.22 1.01 0.42 -0.49 121.20 126.31 1dsx s ILE 37 Ca 0.07 -1.42 -0.13 0.00 0.00 0.00 0.00 60.65 59.17 1dsx s ILE 37 Cb -0.12 -2.14 0.01 0.00 0.01 0.00 0.00 42.46 40.22 1dsx s ILE 37 CO -0.01 0.15 0.26 0.21 0.00 0.00 0.00 174.94 175.55 1dsx s ASN 38 N 1.16 5.97 -0.55 3.58 3.84 0.13 -0.35 114.94 128.73 1dsx s ASN 38 Ca -0.05 -0.79 -0.14 0.00 0.21 0.00 0.00 52.86 52.09 1dsx s ASN 38 Cb -0.18 -2.11 0.14 0.00 -0.55 0.00 0.00 41.25 38.54 1dsx s ASN 38 CO -0.07 -0.37 0.49 -0.63 -2.79 0.00 0.00 177.10 173.72 1dsx s ILE 39 N 1.66 5.00 -1.43 -5.21 -1.09 0.18 -1.20 121.20 119.10 1dsx s ILE 39 Ca 0.05 -1.66 -0.11 0.00 -2.23 0.00 0.00 60.65 56.69 1dsx s ILE 39 Cb -0.19 -4.21 0.08 0.00 -1.58 0.00 0.00 42.46 36.56 1dsx s ILE 39 CO 0.09 -0.86 0.68 -1.20 -1.23 0.00 0.00 174.94 172.42 1dsx n SER 40 N 5.05 -4.31 0.00 3.58 7.64 -0.47 -0.56 113.62 124.55 1dsx n SER 40 Ca -0.10 -0.55 0.00 0.00 1.01 0.00 0.00 58.87 59.23 1dsx n SER 40 Cb 0.41 -3.50 0.00 0.00 -1.01 0.00 0.00 64.21 60.10 1dsx n SER 40 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1dsx n GLY 41 N -1.39 2.31 3.56 0.23 0.00 -1.26 -5.04 105.19 103.59 1dsx n GLY 41 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1dsx n GLY 41 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1dsx s LEU 42 N 0.00 4.36 -0.16 0.99 2.96 0.27 -5.03 118.68 122.07 1dsx s LEU 42 Ca 0.00 -0.08 -0.16 0.00 -0.22 0.00 0.00 54.13 53.66 1dsx s LEU 42 Cb 0.00 -2.46 -0.04 0.00 0.50 0.00 0.00 46.19 44.19 1dsx s LEU 42 CO 0.00 -0.39 0.40 -0.13 -1.32 0.00 0.00 176.35 174.91 1dsx s ARG 43 N 2.19 4.26 0.18 1.98 0.52 -1.26 -0.65 118.95 126.17 1dsx s ARG 43 Ca 0.15 0.26 0.09 0.00 -0.52 0.00 0.00 55.73 55.72 1dsx s ARG 43 Cb -0.16 -3.47 -0.04 0.00 0.52 0.00 0.00 34.95 31.80 1dsx s ARG 43 CO 0.12 0.11 -0.10 -0.06 0.02 0.00 0.00 175.30 175.40 1dsx s PHE 44 N 0.82 2.63 -0.03 -0.53 0.40 0.52 -4.98 117.98 116.81 1dsx s PHE 44 Ca 0.21 -0.22 0.02 0.00 -0.60 0.00 0.00 56.93 56.34 1dsx s PHE 44 Cb -0.14 -1.29 0.01 0.00 0.51 0.00 0.00 43.02 42.11 1dsx s PHE 44 CO 0.08 0.51 -0.08 -1.21 0.70 0.00 0.00 175.22 175.22 1dsx s GLU 45 N -2.82 0.94 -0.06 0.44 2.02 -1.26 -0.43 118.70 117.52 1dsx s GLU 45 Ca 0.25 -0.26 -0.12 0.00 0.02 0.00 0.00 54.97 54.86 1dsx s GLU 45 Cb -0.09 -0.88 0.02 0.00 0.10 0.00 0.00 34.13 33.29 1dsx s GLU 45 CO 0.15 0.07 0.29 0.54 0.02 0.00 0.00 175.26 176.33 1dsx s VAL 46 N 0.35 0.03 0.33 2.63 0.11 -0.65 -5.00 120.40 118.21 1dsx s VAL 46 Ca -0.05 -0.26 -0.28 0.00 -2.93 0.00 0.00 61.98 58.46 1dsx s VAL 46 Cb -0.10 -0.50 -0.09 0.00 -1.53 0.00 0.00 36.38 34.15 1dsx s VAL 46 CO 0.01 -0.14 1.18 -1.10 -3.33 0.00 0.00 175.10 171.72 1dsx s GLN 47 N -0.58 4.38 0.33 1.54 -0.21 -1.26 -1.03 119.66 122.82 1dsx s GLN 47 Ca -0.07 1.94 0.01 0.00 0.02 0.00 0.00 55.36 57.26 1dsx s GLN 47 Cb -0.04 -2.99 0.56 0.00 1.00 0.00 0.00 33.01 31.54 1dsx s GLN 47 CO 0.02 -0.07 1.98 -0.07 -2.12 0.00 0.00 175.29 175.03 1dsx h LEU 48 N 3.32 0.79 -2.12 2.90 3.38 -1.26 -1.55 115.31 120.77 1dsx h LEU 48 Ca -0.48 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.45 1dsx h LEU 48 Cb 1.22 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 1dsx h LEU 48 CO 0.65 0.59 -0.04 0.11 0.09 0.00 0.00 178.44 179.85 1dsx h LYS 49 N 0.91 0.00 -0.15 1.13 1.57 -1.92 -0.10 116.57 118.01 1dsx h LYS 49 Ca 0.24 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.80 1dsx h LYS 49 Cb -0.06 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.26 1dsx h LYS 49 CO -0.05 0.04 -0.78 1.15 -0.57 0.00 0.00 179.45 179.24 1dsx h THR 50 N 0.00 1.28 -0.06 -0.16 2.02 -1.67 -3.09 112.91 111.23 1dsx h THR 50 Ca -0.00 -1.98 -0.13 0.00 0.77 0.00 0.00 66.41 65.07 1dsx h THR 50 Cb 0.08 1.99 -0.01 0.00 -1.74 0.00 0.00 68.15 68.46 1dsx h THR 50 CO 0.00 0.63 -0.56 -0.07 0.37 0.00 0.00 175.52 175.89 1dsx h LEU 51 N 0.54 0.19 0.00 2.58 3.38 -1.20 -3.20 115.31 117.59 1dsx h LEU 51 Ca -0.05 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1dsx h LEU 51 Cb 1.41 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.11 1dsx h LEU 51 CO 0.16 0.71 0.00 0.00 0.09 0.00 0.00 178.44 179.40 1dsx n ALA 52 N -2.46 1.57 0.16 1.53 0.00 -0.11 -2.45 120.51 118.76 1dsx n ALA 52 Ca -0.02 -0.04 0.03 0.00 0.00 0.00 0.00 53.44 53.41 1dsx n ALA 52 Cb 0.58 -1.20 0.42 0.00 0.00 0.00 0.00 19.45 19.25 1dsx n ALA 52 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1dsx h GLN 53 N 0.00 0.13 -2.89 0.00 4.20 -1.56 -3.32 115.11 111.67 1dsx h GLN 53 Ca 0.00 -0.03 -0.61 0.00 0.06 0.00 0.00 58.65 58.07 1dsx h GLN 53 Cb 0.20 -0.02 -0.41 0.00 0.30 0.00 0.00 27.48 27.55 1dsx h GLN 53 CO 0.00 0.31 -0.63 1.19 -0.67 0.00 0.00 178.83 179.03 1dsx n PHE 54 N -4.27 2.73 0.67 2.96 3.01 -1.02 -4.95 117.46 116.59 1dsx n PHE 54 Ca -0.01 -4.17 0.10 0.00 1.01 0.00 0.00 57.45 54.38 1dsx n PHE 54 Cb 0.28 -0.51 0.44 0.00 -0.01 0.00 0.00 39.48 39.68 1dsx n PHE 54 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1dsx n PRO 55 N 1.94 0.03 0.00 -1.08 -0.04 -1.25 -2.26 135.00 132.34 1dsx n PRO 55 Ca 0.22 0.18 0.14 0.00 -0.04 0.00 0.00 63.50 64.00 1dsx n PRO 55 Cb 0.37 -1.55 0.64 0.00 -0.04 0.00 0.00 33.50 32.93 1dsx n PRO 55 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1dsx n GLU 56 N -1.60 0.81 -2.87 0.54 1.02 -1.26 -3.74 120.64 113.54 1dsx n GLU 56 Ca 0.05 -0.27 -0.19 0.00 -0.02 0.00 0.00 57.16 56.72 1dsx n GLU 56 Cb 0.25 -1.49 0.02 0.00 -0.02 0.00 0.00 31.44 30.19 1dsx n GLU 56 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1dsx s THR 57 N -2.38 3.00 0.09 2.62 -4.23 -0.96 -4.94 115.64 108.85 1dsx s THR 57 Ca 0.32 -0.80 -0.28 0.00 -1.18 0.00 0.00 61.69 59.74 1dsx s THR 57 Cb 0.20 -3.07 -0.13 0.00 1.34 0.00 0.00 72.50 70.84 1dsx s THR 57 CO 0.45 -0.04 1.66 0.25 -0.54 0.00 0.00 174.62 176.40 1dsx h LEU 58 N 0.38 -0.57 -1.25 4.79 6.46 -1.63 -1.76 115.31 121.72 1dsx h LEU 58 Ca -0.42 0.05 -0.04 0.00 -0.12 0.00 0.00 57.88 57.34 1dsx h LEU 58 Cb 1.28 0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 41.39 1dsx h LEU 58 CO 0.50 -0.33 -0.21 -0.07 -0.62 0.00 0.00 178.44 177.71 1dsx h LEU 59 N -0.50 0.00 -0.04 2.25 3.38 -1.91 -2.95 115.31 115.54 1dsx h LEU 59 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1dsx h LEU 59 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1dsx h LEU 59 CO -0.02 0.21 -0.31 0.61 0.09 0.00 0.00 178.44 179.02 1dsx n GLY 60 N 0.02 -1.28 3.37 0.83 0.00 -1.10 -4.76 105.19 102.27 1dsx n GLY 60 Ca -0.00 -0.27 -0.38 0.00 0.00 0.00 0.00 46.02 45.37 1dsx n GLY 60 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1dsx s ASP 61 N -2.94 5.26 0.40 1.61 -1.08 -0.68 -4.39 116.67 114.85 1dsx s ASP 61 Ca 0.14 -0.68 0.14 0.00 -0.52 0.00 0.00 52.55 51.62 1dsx s ASP 61 Cb 0.18 -1.92 0.97 0.00 -1.46 0.00 0.00 42.92 40.70 1dsx s ASP 61 CO 0.62 -0.20 1.88 -0.65 0.52 0.00 0.00 175.17 177.34 1dsx h PRO 62 N 8.27 0.50 -0.24 4.34 0.11 -1.85 -1.16 132.00 141.98 1dsx h PRO 62 Ca -0.31 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.61 1dsx h PRO 62 Cb 1.13 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1dsx h PRO 62 CO 0.61 0.33 -0.51 0.87 -0.21 0.00 0.00 178.00 179.09 1dsx h LYS 63 N 0.52 0.66 -0.03 1.05 1.57 -1.94 -2.60 116.57 115.80 1dsx h LYS 63 Ca 0.42 -0.39 -0.22 0.00 -1.87 0.00 0.00 60.65 58.60 1dsx h LYS 63 Cb 0.88 0.04 0.02 0.00 0.08 0.00 0.00 32.23 33.24 1dsx h LYS 63 CO -0.17 1.01 -0.83 0.87 -0.57 0.00 0.00 179.45 179.77 1dsx h LYS 64 N 0.51 0.60 0.00 3.15 1.57 -1.51 -3.25 116.57 117.66 1dsx h LYS 64 Ca 0.02 -0.62 -0.01 0.00 -1.87 0.00 0.00 60.65 58.18 1dsx h LYS 64 Cb 1.06 0.17 -0.00 0.00 0.08 0.00 0.00 32.23 33.54 1dsx h LYS 64 CO 0.10 1.23 -0.04 0.07 -0.57 0.00 0.00 179.45 180.24 1dsx h ARG 65 N 0.22 0.00 -0.65 3.15 0.11 -1.25 -3.26 114.38 112.71 1dsx h ARG 65 Ca -0.10 0.00 0.12 0.00 0.10 0.00 0.00 59.98 60.11 1dsx h ARG 65 Cb 1.49 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.54 1dsx h ARG 65 CO 0.16 0.04 0.44 1.98 0.10 0.00 0.00 179.97 182.69 1dsx h MET 66 N 0.00 0.36 0.00 0.08 4.05 -1.49 -0.59 114.93 117.33 1dsx h MET 66 Ca -0.00 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.39 1dsx h MET 66 Cb 0.71 -0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 31.42 1dsx h MET 66 CO 0.01 0.24 -0.04 0.00 0.23 0.00 0.00 176.91 177.34 1dsx h ARG 67 N 0.37 0.00 -0.42 0.39 2.47 -1.75 -2.11 114.38 113.33 1dsx h ARG 67 Ca 0.31 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.03 1dsx h ARG 67 Cb 0.70 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.02 1dsx h ARG 67 CO -0.08 0.04 0.00 0.66 0.56 0.00 0.00 179.97 181.15 1dsx n TYR 68 N -3.35 0.55 -2.99 3.04 4.02 -0.23 -4.98 117.16 113.21 1dsx n TYR 68 Ca -0.02 -0.33 -0.39 0.00 -0.01 0.00 0.00 57.90 57.15 1dsx n TYR 68 Cb 0.17 -0.01 -0.06 0.00 -0.02 0.00 0.00 39.34 39.43 1dsx n TYR 68 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 176.86 175.97 1dsx s PHE 69 N -1.23 3.86 -0.32 -0.72 5.36 -0.79 -1.32 117.98 122.81 1dsx s PHE 69 Ca 0.35 1.58 -0.00 0.00 -0.96 0.00 0.00 56.93 57.91 1dsx s PHE 69 Cb 0.20 -2.77 0.07 0.00 -0.34 0.00 0.00 43.02 40.18 1dsx s PHE 69 CO 0.27 0.46 0.04 0.34 -1.46 0.00 0.00 175.22 174.87 1dsx s ASP 70 N -0.86 4.89 0.55 6.13 2.15 0.68 -4.95 116.67 125.25 1dsx s ASP 70 Ca 0.36 -1.61 0.31 0.00 0.43 0.00 0.00 52.55 52.04 1dsx s ASP 70 Cb -0.22 -1.70 1.59 0.00 -0.30 0.00 0.00 42.92 42.29 1dsx s ASP 70 CO 0.25 -0.33 2.11 1.55 -0.17 0.00 0.00 175.17 178.58 1dsx h PRO 71 N 7.91 0.00 -0.14 4.34 0.13 -1.96 0.47 132.00 142.75 1dsx h PRO 71 Ca -0.16 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.90 1dsx h PRO 71 Cb 1.05 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.18 1dsx h PRO 71 CO 0.56 0.08 -0.18 -0.07 -0.23 0.00 0.00 178.00 178.16 1dsx h LEU 72 N 0.00 0.39 -1.46 1.56 3.38 -1.95 -3.18 115.31 114.06 1dsx h LEU 72 Ca -0.00 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1dsx h LEU 72 Cb 0.31 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1dsx h LEU 72 CO 0.01 0.82 -0.04 0.54 0.09 0.00 0.00 178.44 179.86 1dsx n ARG 73 N -4.53 1.95 -3.45 1.13 1.74 -1.18 -4.98 116.66 107.34 1dsx n ARG 73 Ca -0.06 -1.46 -0.22 0.00 -0.77 0.00 0.00 57.85 55.34 1dsx n ARG 73 Cb 0.39 -1.47 0.06 0.00 -1.02 0.00 0.00 32.46 30.42 1dsx n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1dsx n ASN 74 N 0.75 -5.62 -3.56 0.55 4.05 0.13 -5.00 115.26 106.56 1dsx n ASN 74 Ca 0.15 -0.83 -0.11 0.00 0.45 0.00 0.00 54.58 54.24 1dsx n ASN 74 Cb 0.49 -4.43 -0.03 0.00 1.23 0.00 0.00 39.78 37.04 1dsx n ASN 74 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 177.26 172.38 1dsx s GLU 75 N -5.14 1.28 -0.12 1.20 -1.05 -1.03 -4.51 118.70 109.34 1dsx s GLU 75 Ca 0.42 -0.64 -0.13 0.00 -0.15 0.00 0.00 54.97 54.47 1dsx s GLU 75 Cb -0.10 0.55 -0.05 0.00 -0.44 0.00 0.00 34.13 34.09 1dsx s GLU 75 CO 0.79 -0.55 0.29 0.71 0.95 0.00 0.00 175.26 177.45 1dsx s TYR 76 N -3.80 3.55 -0.10 4.83 1.51 0.36 -0.23 117.35 123.47 1dsx s TYR 76 Ca 0.04 0.67 0.03 0.00 -1.01 0.00 0.00 57.07 56.79 1dsx s TYR 76 Cb -0.01 -2.25 -0.01 0.00 -0.11 0.00 0.00 41.96 39.59 1dsx s TYR 76 CO -0.09 0.43 -0.20 0.12 -1.11 0.00 0.00 175.55 174.69 1dsx s PHE 77 N -0.17 2.64 -0.08 2.71 5.36 -0.44 0.21 117.98 128.21 1dsx s PHE 77 Ca 0.18 -0.82 0.02 0.00 -0.96 0.00 0.00 56.93 55.35 1dsx s PHE 77 Cb -0.14 -1.74 0.01 0.00 -0.34 0.00 0.00 43.02 40.82 1dsx s PHE 77 CO 0.06 -0.29 -0.13 -0.06 -1.46 0.00 0.00 175.22 173.34 1dsx s PHE 78 N 0.22 1.62 -1.38 10.12 0.40 -0.34 -4.82 117.98 123.80 1dsx s PHE 78 Ca -0.13 -0.67 -0.08 0.00 -0.60 0.00 0.00 56.93 55.45 1dsx s PHE 78 Cb -0.16 -1.20 0.09 0.00 0.51 0.00 0.00 43.02 42.26 1dsx s PHE 78 CO 0.07 -0.36 2.30 -3.47 0.70 0.00 0.00 175.22 174.46 1dsx n ASP 79 N 4.05 6.71 -3.99 1.36 -0.08 -1.26 -1.36 116.55 121.98 1dsx n ASP 79 Ca -0.20 -3.00 -0.25 0.00 -1.51 0.00 0.00 54.79 49.82 1dsx n ASP 79 Cb 0.51 -1.47 -0.06 0.00 2.34 0.00 0.00 41.12 42.45 1dsx n ASP 79 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1dsx n ARG 80 N 3.26 0.84 -2.22 -0.67 5.12 -1.26 -4.96 116.66 116.75 1dsx n ARG 80 Ca 0.57 -3.07 -0.43 0.00 -1.93 0.00 0.00 57.85 52.99 1dsx n ARG 80 Cb 0.30 1.12 -0.02 0.00 -1.16 0.00 0.00 32.46 32.70 1dsx n ARG 80 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 1dsx s ASN 81 N -3.28 6.78 0.04 0.55 2.47 -1.26 -4.44 114.94 115.80 1dsx s ASN 81 Ca 0.07 1.91 -0.28 0.00 0.42 0.00 0.00 52.86 54.97 1dsx s ASN 81 Cb 0.00 -2.54 -0.17 0.00 -1.45 0.00 0.00 41.25 37.10 1dsx s ASN 81 CO 0.05 -0.87 1.44 0.03 -3.72 0.00 0.00 177.10 174.02 1dsx h ARG 82 N 8.97 -0.60 0.00 0.43 3.08 -1.96 -3.18 114.38 121.12 1dsx h ARG 82 Ca -0.32 0.04 -0.00 0.00 0.07 0.00 0.00 59.98 59.77 1dsx h ARG 82 Cb 1.14 0.14 -0.00 0.00 0.08 0.00 0.00 29.97 31.32 1dsx h ARG 82 CO 0.97 -0.32 -0.00 -1.35 -1.07 0.00 0.00 179.97 178.19 1dsx h PRO 83 N -0.78 0.00 0.00 0.04 0.11 -1.98 -2.58 132.00 126.81 1dsx h PRO 83 Ca -0.06 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.01 1dsx h PRO 83 Cb 0.55 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.65 1dsx h PRO 83 CO 0.10 0.00 -0.18 0.77 -0.21 0.00 0.00 178.00 178.49 1dsx h SER 84 N 0.00 0.00 0.74 -2.05 0.02 -1.97 -3.39 113.55 106.90 1dsx h SER 84 Ca -0.00 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 1dsx h SER 84 Cb 0.04 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1dsx h SER 84 CO 0.00 0.18 -0.41 0.15 -1.14 0.00 0.00 176.83 175.61 1dsx h PHE 85 N 0.00 0.00 -0.85 3.45 3.57 -1.54 -2.54 116.94 119.02 1dsx h PHE 85 Ca -0.00 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.59 1dsx h PHE 85 Cb 1.11 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.78 1dsx h PHE 85 CO 0.00 0.41 0.50 -0.44 -2.23 0.00 0.00 178.31 176.55 1dsx h ASP 86 N 0.00 0.74 -0.26 0.41 3.32 -1.78 0.69 116.42 119.54 1dsx h ASP 86 Ca -0.00 0.04 -0.16 0.00 0.02 0.00 0.00 57.03 56.93 1dsx h ASP 86 Cb 0.89 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.33 1dsx h ASP 86 CO 0.05 0.43 -0.46 0.00 -1.72 0.00 0.00 179.24 177.54 1dsx h ALA 87 N 1.45 0.40 -0.03 3.45 0.00 -1.75 0.13 119.26 122.92 1dsx h ALA 87 Ca 0.40 -0.48 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1dsx h ALA 87 Cb 0.33 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1dsx h ALA 87 CO -0.23 0.56 -0.04 0.82 0.00 0.00 0.00 179.25 180.35 1dsx h ILE 88 N 0.51 0.88 -0.56 0.00 1.08 -1.08 -2.17 117.51 116.19 1dsx h ILE 88 Ca 0.02 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.48 1dsx h ILE 88 Cb 1.07 0.88 -0.03 0.00 -3.07 0.00 0.00 36.82 35.67 1dsx h ILE 88 CO 0.10 0.00 0.30 0.25 -0.69 0.00 0.00 178.15 178.12 1dsx h LEU 89 N -0.06 0.67 -1.61 1.44 5.85 -0.82 -2.71 115.31 118.06 1dsx h LEU 89 Ca 0.03 -0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 1dsx h LEU 89 Cb 0.10 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1dsx h LEU 89 CO -0.06 0.55 -0.20 0.22 -0.34 0.00 0.00 178.44 178.60 1dsx h TYR 90 N 0.77 0.00 -0.35 1.25 3.20 -0.61 -1.48 116.97 119.75 1dsx h TYR 90 Ca 0.20 0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.13 1dsx h TYR 90 Cb 0.02 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.24 1dsx h TYR 90 CO 0.00 0.20 0.02 -0.92 -1.64 0.00 0.00 178.16 175.83 1dsx h TYR 91 N 0.00 0.02 -0.12 -3.82 3.20 -1.06 0.28 116.97 115.47 1dsx h TYR 91 Ca -0.00 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 1dsx h TYR 91 Cb 0.38 0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.69 1dsx h TYR 91 CO 0.00 -0.04 -0.05 1.88 -1.64 0.00 0.00 178.16 178.31 1dsx h TYR 92 N 0.12 0.28 -0.40 -3.82 -1.99 -1.36 0.14 116.97 109.95 1dsx h TYR 92 Ca 0.17 -0.07 -0.05 0.00 2.00 0.00 0.00 58.73 60.78 1dsx h TYR 92 Cb 0.22 -0.07 -0.02 0.00 2.00 0.00 0.00 36.73 38.86 1dsx h TYR 92 CO -0.23 0.58 0.05 1.96 -0.00 0.00 0.00 178.16 180.52 1dsx h GLN 93 N -0.10 0.61 -0.00 4.88 4.20 -0.62 -2.48 115.11 121.61 1dsx h GLN 93 Ca 0.03 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.61 1dsx h GLN 93 Cb 0.50 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.19 1dsx h GLN 93 CO 0.02 0.60 -0.22 -1.13 -0.67 0.00 0.00 178.83 177.43 1dsx n SER 94 N -4.28 0.47 0.00 1.46 3.41 0.02 -4.94 113.62 109.75 1dsx n SER 94 Ca 0.02 -0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.31 1dsx n SER 94 Cb 0.23 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 1dsx n SER 94 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dsx n GLY 95 N 1.39 0.41 0.00 5.00 0.00 -0.93 -4.38 105.19 106.67 1dsx n GLY 95 Ca 0.10 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1dsx n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dsx n GLY 96 N -1.16 1.50 3.54 -0.02 0.00 0.49 -5.04 105.19 104.50 1dsx n GLY 96 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1dsx n GLY 96 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dsx s ARG 97 N -0.15 3.43 -0.35 1.61 0.52 -1.25 -5.01 118.95 117.75 1dsx s ARG 97 Ca 0.00 -0.04 -0.10 0.00 -0.52 0.00 0.00 55.73 55.07 1dsx s ARG 97 Cb 0.00 -3.98 0.02 0.00 0.52 0.00 0.00 34.95 31.51 1dsx s ARG 97 CO 0.00 -1.30 0.18 -1.17 0.02 0.00 0.00 175.30 173.02 1dsx s LEU 98 N 3.75 4.50 -0.08 2.53 2.96 -1.26 -3.66 118.68 127.42 1dsx s LEU 98 Ca 0.33 -0.89 0.02 0.00 -0.22 0.00 0.00 54.13 53.38 1dsx s LEU 98 Cb -0.11 -2.00 0.01 0.00 0.50 0.00 0.00 46.19 44.59 1dsx s LEU 98 CO 0.23 -0.33 -0.12 -0.60 -1.32 0.00 0.00 176.35 174.21 1dsx s ARG 99 N 1.55 1.77 -0.06 1.98 3.52 -1.26 -5.10 118.95 121.35 1dsx s ARG 99 Ca 0.02 -0.42 -0.30 0.00 -0.13 0.00 0.00 55.73 54.90 1dsx s ARG 99 Cb -0.19 -1.49 -0.04 0.00 -1.56 0.00 0.00 34.95 31.67 1dsx s ARG 99 CO 0.06 -0.01 1.43 0.50 -0.81 0.00 0.00 175.30 176.48 1dsx s ARG 100 N 0.79 4.24 0.30 5.12 3.00 -1.26 -4.83 118.95 126.31 1dsx s ARG 100 Ca -0.12 1.94 -0.29 0.00 -1.00 0.00 0.00 55.73 56.26 1dsx s ARG 100 Cb -0.15 -3.74 -0.12 0.00 0.00 0.00 0.00 34.95 30.93 1dsx s ARG 100 CO 0.02 -0.69 1.40 -2.30 0.00 0.00 0.00 175.30 173.74 1dsx n PRO 101 N 6.20 2.25 -0.18 5.12 -0.02 -1.26 -4.89 135.00 142.22 1dsx n PRO 101 Ca 0.14 0.79 -0.01 0.00 -2.02 0.00 0.00 63.50 62.41 1dsx n PRO 101 Cb 0.44 -2.45 0.22 0.00 -0.02 0.00 0.00 33.50 31.68 1dsx n PRO 101 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1dsx h VAL 102 N 2.90 1.21 -0.04 -1.45 2.07 -2.00 -2.50 116.25 116.44 1dsx h VAL 102 Ca -0.46 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 66.48 1dsx h VAL 102 Cb 1.27 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1dsx h VAL 102 CO 0.70 0.24 0.00 0.59 0.02 0.00 0.00 177.57 179.13 1dsx n ASN 103 N -4.35 0.38 -4.26 0.57 3.02 -1.26 -4.72 115.26 104.65 1dsx n ASN 103 Ca 0.06 -1.54 -0.35 0.00 -0.03 0.00 0.00 54.58 52.72 1dsx n ASN 103 Cb 0.13 -0.03 -0.14 0.00 -0.61 0.00 0.00 39.78 39.13 1dsx n ASN 103 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1dsx s VAL 104 N -1.95 3.23 0.37 2.41 1.01 -0.94 -5.09 120.40 119.44 1dsx s VAL 104 Ca 0.26 -0.81 -0.25 0.00 0.00 0.00 0.00 61.98 61.18 1dsx s VAL 104 Cb 0.13 -2.60 -0.13 0.00 0.00 0.00 0.00 36.38 33.78 1dsx s VAL 104 CO 0.21 0.24 0.81 -2.65 0.00 0.00 0.00 175.10 173.71 1dsx n PRO 105 N 4.74 0.98 -0.33 2.72 -0.02 -1.26 -4.72 135.00 137.11 1dsx n PRO 105 Ca -0.17 0.35 0.03 0.00 -2.02 0.00 0.00 63.50 61.70 1dsx n PRO 105 Cb 0.48 -1.72 0.21 0.00 -0.02 0.00 0.00 33.50 32.45 1dsx n PRO 105 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1dsx h LEU 106 N 1.36 0.97 -0.70 2.45 5.85 -1.96 -1.31 115.31 121.98 1dsx h LEU 106 Ca -0.40 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.23 1dsx h LEU 106 Cb 1.37 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 1dsx h LEU 106 CO 0.56 0.63 -0.02 -2.24 -0.34 0.00 0.00 178.44 177.02 1dsx h ASP 107 N 1.10 0.96 -0.15 1.25 2.03 -1.99 -0.84 116.42 118.78 1dsx h ASP 107 Ca 0.41 -0.27 -0.03 0.00 -0.73 0.00 0.00 57.03 56.40 1dsx h ASP 107 Cb 0.17 -0.26 -0.00 0.00 -0.83 0.00 0.00 39.33 38.41 1dsx h ASP 107 CO -0.16 1.03 -0.04 0.40 -1.03 0.00 0.00 179.24 179.44 1dsx h ILE 108 N 0.90 1.29 -0.53 4.15 2.04 -1.78 -2.89 117.51 120.69 1dsx h ILE 108 Ca 0.16 -1.00 -0.09 0.00 1.00 0.00 0.00 64.86 64.93 1dsx h ILE 108 Cb 0.56 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 38.25 1dsx h ILE 108 CO 0.03 0.29 -0.02 0.15 0.00 0.00 0.00 178.15 178.60 1dsx h PHE 109 N -0.01 0.99 -0.99 1.37 3.57 -1.20 -2.35 116.94 118.33 1dsx h PHE 109 Ca 0.04 -0.16 0.03 0.00 3.53 0.00 0.00 57.97 61.41 1dsx h PHE 109 Cb 0.47 -0.26 -0.06 0.00 2.79 0.00 0.00 35.95 38.89 1dsx h PHE 109 CO 0.05 0.91 0.65 1.03 -2.23 0.00 0.00 178.31 178.72 1dsx h SER 110 N 0.84 1.09 -0.17 0.41 0.87 -1.17 0.08 113.55 115.51 1dsx h SER 110 Ca 0.15 -0.01 -0.11 0.00 -1.23 0.00 0.00 61.79 60.59 1dsx h SER 110 Cb 0.53 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.22 1dsx h SER 110 CO 0.03 0.76 -0.25 -0.08 -0.53 0.00 0.00 176.83 176.76 1dsx h GLU 111 N 1.27 0.63 -0.30 2.24 4.57 -1.25 -1.75 114.58 119.99 1dsx h GLU 111 Ca 0.39 -0.25 -0.07 0.00 -1.18 0.00 0.00 59.36 58.25 1dsx h GLU 111 Cb -0.04 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.51 1dsx h GLU 111 CO -0.11 0.82 -0.07 0.93 -1.18 0.00 0.00 179.01 179.40 1dsx h GLU 112 N 0.55 0.57 -0.66 1.92 4.39 -0.89 -1.24 114.58 119.22 1dsx h GLU 112 Ca 0.08 -0.22 0.10 0.00 0.34 0.00 0.00 59.36 59.66 1dsx h GLU 112 Cb 0.72 -0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 29.26 1dsx h GLU 112 CO 0.06 0.76 0.28 0.82 -1.16 0.00 0.00 179.01 179.77 1dsx h ILE 113 N 0.34 0.78 0.03 3.13 2.04 -0.71 -0.23 117.51 122.90 1dsx h ILE 113 Ca 0.08 -0.16 0.01 0.00 1.00 0.00 0.00 64.86 65.79 1dsx h ILE 113 Cb 0.55 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 1dsx h ILE 113 CO 0.03 0.09 -0.11 -0.09 0.00 0.00 0.00 178.15 178.07 1dsx h ARG 114 N 0.48 -0.20 -0.59 2.37 2.43 -1.09 -2.32 114.38 115.45 1dsx h ARG 114 Ca 0.33 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.53 1dsx h ARG 114 Cb 0.40 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.96 1dsx h ARG 114 CO -0.30 -0.13 0.38 0.35 -1.51 0.00 0.00 179.97 178.76 1dsx h PHE 115 N -0.20 0.72 0.00 2.20 3.57 -0.72 -1.92 116.94 120.59 1dsx h PHE 115 Ca 0.03 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1dsx h PHE 115 Cb 0.24 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.74 1dsx h PHE 115 CO -0.16 0.43 0.00 0.66 -2.23 0.00 0.00 178.31 177.02 1dsx n TYR 116 N -4.70 0.00 -3.46 0.41 4.02 -0.14 -4.84 117.16 108.45 1dsx n TYR 116 Ca 0.05 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.74 1dsx n TYR 116 Cb 0.05 -0.15 0.08 0.00 -0.02 0.00 0.00 39.34 39.29 1dsx n TYR 116 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1dsx n GLU 117 N -1.15 -7.01 0.07 -0.72 1.02 -0.72 -2.04 120.64 110.08 1dsx n GLU 117 Ca 0.17 0.77 -0.06 0.00 -0.02 0.00 0.00 57.16 58.03 1dsx n GLU 117 Cb 0.17 -5.63 -0.10 0.00 -0.02 0.00 0.00 31.44 25.86 1dsx n GLU 117 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1dsx h LEU 118 N -2.28 0.00 0.00 -4.62 3.38 -1.77 -3.39 115.31 106.63 1dsx h LEU 118 Ca -0.53 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.44 1dsx h LEU 118 Cb 1.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.08 1dsx h LEU 118 CO 0.50 0.92 0.00 0.61 0.09 0.00 0.00 178.44 180.56