#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 1.41 -0.00 3.49 0.52 -1.26 -1.40 118.95 121.70 1dsx s ARG 34 Ca 0.00 -1.56 0.07 0.00 -0.52 0.00 0.00 55.73 53.71 1dsx s ARG 34 Cb 0.00 -1.41 -0.03 0.00 0.52 0.00 0.00 34.95 34.04 1dsx s ARG 34 CO 0.00 0.27 -0.20 0.08 0.02 0.00 0.00 175.30 175.46 1dsx s VAL 35 N -2.42 2.57 -0.21 3.52 1.01 0.66 -4.81 120.40 120.72 1dsx s VAL 35 Ca 0.22 -1.05 -0.09 0.00 0.00 0.00 0.00 61.98 61.05 1dsx s VAL 35 Cb -0.04 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 1dsx s VAL 35 CO 0.09 0.49 0.11 -0.69 0.00 0.00 0.00 175.10 175.10 1dsx s VAL 36 N -0.76 5.05 -0.21 2.92 1.01 -1.26 -1.28 120.40 125.87 1dsx s VAL 36 Ca 0.12 0.07 -0.02 0.00 0.00 0.00 0.00 61.98 62.15 1dsx s VAL 36 Cb -0.10 -3.32 0.01 0.00 0.00 0.00 0.00 36.38 32.97 1dsx s VAL 36 CO 0.02 0.40 -0.11 -0.63 0.00 0.00 0.00 175.10 174.78 1dsx s ILE 37 N 0.73 2.77 -0.45 2.22 1.01 0.97 -1.19 121.20 127.26 1dsx s ILE 37 Ca 0.06 -0.74 -0.11 0.00 0.00 0.00 0.00 60.65 59.86 1dsx s ILE 37 Cb -0.13 -2.25 0.09 0.00 0.01 0.00 0.00 42.46 40.18 1dsx s ILE 37 CO 0.02 0.45 0.32 0.21 0.00 0.00 0.00 174.94 175.94 1dsx s ASN 38 N 1.38 5.81 -0.63 3.58 3.04 0.85 0.18 114.94 129.14 1dsx s ASN 38 Ca 0.05 -1.56 -0.18 0.00 0.04 0.00 0.00 52.86 51.21 1dsx s ASN 38 Cb -0.14 -2.05 0.13 0.00 -1.54 0.00 0.00 41.25 37.64 1dsx s ASN 38 CO -0.07 -0.62 0.70 -0.63 -3.04 0.00 0.00 177.10 173.44 1dsx s ILE 39 N 1.47 5.00 -1.58 -5.21 -1.09 -0.30 -1.00 121.20 118.49 1dsx s ILE 39 Ca 0.04 -1.33 -0.12 0.00 -2.23 0.00 0.00 60.65 57.00 1dsx s ILE 39 Cb -0.24 -4.48 0.10 0.00 -1.58 0.00 0.00 42.46 36.26 1dsx s ILE 39 CO 0.03 -1.09 0.73 -1.20 -1.23 0.00 0.00 174.94 172.18 1dsx n SER 40 N 5.82 -2.79 0.00 3.58 7.64 -0.46 -1.08 113.62 126.33 1dsx n SER 40 Ca -0.05 -0.96 0.00 0.00 1.01 0.00 0.00 58.87 58.87 1dsx n SER 40 Cb 0.43 -3.10 0.00 0.00 -1.01 0.00 0.00 64.21 60.53 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 -1.62 1.41 3.55 0.23 0.00 -1.26 -5.04 105.19 102.46 1dsx n GLY 41 Ca -0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 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 4.38 -0.12 0.99 2.96 -0.24 -5.06 118.68 121.58 1dsx s LEU 42 Ca 0.00 -0.28 -0.18 0.00 -0.22 0.00 0.00 54.13 53.46 1dsx s LEU 42 Cb 0.00 -2.17 -0.04 0.00 0.50 0.00 0.00 46.19 44.48 1dsx s LEU 42 CO 0.00 -0.20 0.45 -0.13 -1.32 0.00 0.00 176.35 175.15 1dsx s ARG 43 N 1.78 4.33 -0.01 1.98 0.52 -1.26 -1.15 118.95 125.14 1dsx s ARG 43 Ca 0.07 0.41 0.07 0.00 -0.52 0.00 0.00 55.73 55.76 1dsx s ARG 43 Cb -0.17 -3.44 -0.02 0.00 0.52 0.00 0.00 34.95 31.84 1dsx s ARG 43 CO 0.11 0.16 -0.23 -0.06 0.02 0.00 0.00 175.30 175.31 1dsx s PHE 44 N 0.61 2.44 -0.14 -0.53 0.40 0.13 -4.97 117.98 115.92 1dsx s PHE 44 Ca 0.25 -0.35 0.01 0.00 -0.60 0.00 0.00 56.93 56.24 1dsx s PHE 44 Cb -0.15 -1.50 0.02 0.00 0.51 0.00 0.00 43.02 41.90 1dsx s PHE 44 CO 0.09 0.07 -0.17 -1.21 0.70 0.00 0.00 175.22 174.71 1dsx s GLU 45 N -0.84 2.52 0.02 0.44 2.02 -1.26 -0.02 118.70 121.57 1dsx s GLU 45 Ca 0.11 -0.65 0.04 0.00 0.02 0.00 0.00 54.97 54.48 1dsx s GLU 45 Cb -0.10 -2.19 -0.02 0.00 0.10 0.00 0.00 34.13 31.92 1dsx s GLU 45 CO 0.01 -0.15 -0.11 0.54 0.02 0.00 0.00 175.26 175.56 1dsx s VAL 46 N 1.22 0.84 0.30 2.63 0.11 -0.41 -4.95 120.40 120.16 1dsx s VAL 46 Ca 0.00 -0.74 -0.29 0.00 -2.93 0.00 0.00 61.98 58.03 1dsx s VAL 46 Cb -0.14 -0.76 -0.10 0.00 -1.53 0.00 0.00 36.38 33.85 1dsx s VAL 46 CO -0.08 0.03 1.42 -1.10 -3.33 0.00 0.00 175.10 172.05 1dsx s GLN 47 N -0.79 4.25 0.26 1.54 -0.21 -1.26 -0.24 119.66 123.21 1dsx s GLN 47 Ca 0.01 2.35 -0.03 0.00 0.02 0.00 0.00 55.36 57.71 1dsx s GLN 47 Cb -0.06 -3.06 0.42 0.00 1.00 0.00 0.00 33.01 31.31 1dsx s GLN 47 CO 0.00 -0.38 1.84 -0.07 -2.12 0.00 0.00 175.29 174.56 1dsx h LEU 48 N 4.09 0.87 -1.34 2.90 3.38 -1.55 -1.48 115.31 122.18 1dsx h LEU 48 Ca -0.48 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.49 1dsx h LEU 48 Cb 1.22 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 1dsx h LEU 48 CO 0.71 0.52 0.12 0.11 0.09 0.00 0.00 178.44 179.99 1dsx h LYS 49 N 0.98 0.57 0.00 1.13 1.57 -1.91 -1.35 116.57 117.56 1dsx h LYS 49 Ca 0.43 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 59.11 1dsx h LYS 49 Cb 0.30 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 1dsx h LYS 49 CO -0.22 0.50 -0.04 1.15 -0.57 0.00 0.00 179.45 180.27 1dsx h THR 50 N 0.56 0.09 0.02 -0.16 2.02 -1.65 -2.74 112.91 111.04 1dsx h THR 50 Ca 0.13 -0.84 -0.31 0.00 0.77 0.00 0.00 66.41 66.16 1dsx h THR 50 Cb 0.17 1.77 -0.05 0.00 -1.74 0.00 0.00 68.15 68.30 1dsx h THR 50 CO -0.01 0.04 -1.85 0.18 0.37 0.00 0.00 175.52 174.25 1dsx n LEU 51 N -3.13 1.02 0.00 2.58 4.77 -1.05 -4.19 117.00 117.00 1dsx n LEU 51 Ca 0.02 0.32 0.11 0.00 -0.03 0.00 0.00 56.01 56.43 1dsx n LEU 51 Cb 0.43 0.03 0.49 0.00 -2.33 0.00 0.00 43.42 42.04 1dsx n LEU 51 CO 0.31 0.47 0.85 0.00 -1.33 0.00 0.00 177.39 177.69 1dsx n ALA 52 N -2.65 2.04 0.44 -1.18 0.00 -0.53 -2.17 120.51 116.45 1dsx n ALA 52 Ca -0.22 -0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.27 1dsx n ALA 52 Cb 1.06 -1.35 0.46 0.00 0.00 0.00 0.00 19.45 19.62 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 0.00 -2.33 0.00 4.20 -1.66 -3.34 115.11 111.98 1dsx h GLN 53 Ca 0.00 0.00 -0.59 0.00 0.06 0.00 0.00 58.65 58.12 1dsx h GLN 53 Cb 0.32 0.00 -0.41 0.00 0.30 0.00 0.00 27.48 27.69 1dsx h GLN 53 CO 0.00 0.00 -0.74 1.19 -0.67 0.00 0.00 178.83 178.61 1dsx n PHE 54 N -2.47 2.22 0.30 2.96 3.01 -0.92 -4.95 117.46 117.62 1dsx n PHE 54 Ca 0.03 -3.97 0.13 0.00 1.01 0.00 0.00 57.45 54.65 1dsx n PHE 54 Cb 0.34 -0.45 0.60 0.00 -0.01 0.00 0.00 39.48 39.96 1dsx n PHE 54 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1dsx h PRO 55 N 4.48 0.00 0.00 -1.08 0.13 -1.75 -1.99 132.00 131.79 1dsx h PRO 55 Ca 0.17 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.27 1dsx h PRO 55 Cb 0.75 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.88 1dsx h PRO 55 CO 0.69 0.00 -0.12 1.05 -0.23 0.00 0.00 178.00 179.39 1dsx h GLU 56 N 0.00 0.00 -6.98 0.86 -0.00 -1.92 -3.35 114.58 103.19 1dsx h GLU 56 Ca 0.00 0.00 -0.48 0.00 -0.00 0.00 0.00 59.36 58.88 1dsx h GLU 56 Cb 0.24 0.00 0.04 0.00 -0.00 0.00 0.00 28.75 29.03 1dsx h GLU 56 CO 0.00 0.12 0.12 0.95 -0.00 0.00 0.00 179.01 180.19 1dsx s THR 57 N -3.35 4.36 0.11 -1.06 -4.23 -0.75 -4.94 115.64 105.79 1dsx s THR 57 Ca 0.04 0.07 -0.25 0.00 -1.18 0.00 0.00 61.69 60.37 1dsx s THR 57 Cb 0.07 -3.68 -0.09 0.00 1.34 0.00 0.00 72.50 70.15 1dsx s THR 57 CO 0.65 -0.66 1.67 0.25 -0.54 0.00 0.00 174.62 175.99 1dsx h LEU 58 N 0.09 -0.45 -1.08 4.79 6.46 -1.53 -1.77 115.31 121.81 1dsx h LEU 58 Ca -0.46 0.06 -0.01 0.00 -0.12 0.00 0.00 57.88 57.35 1dsx h LEU 58 Cb 1.23 0.18 -0.00 0.00 -0.73 0.00 0.00 40.66 41.34 1dsx h LEU 58 CO 0.61 -0.23 -0.05 -0.07 -0.62 0.00 0.00 178.44 178.08 1dsx h LEU 59 N -0.29 0.00 -0.38 2.25 3.38 -1.90 -2.82 115.31 115.54 1dsx h LEU 59 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1dsx h LEU 59 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1dsx h LEU 59 CO -0.12 0.05 -0.35 0.61 0.09 0.00 0.00 178.44 178.73 1dsx n GLY 60 N 0.29 -0.75 3.45 0.83 0.00 -1.00 -4.78 105.19 103.24 1dsx n GLY 60 Ca 0.01 -0.41 -0.38 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.64 5.37 0.37 1.61 -1.08 -0.70 -4.37 116.67 115.24 1dsx s ASP 61 Ca 0.20 -0.37 0.05 0.00 -0.52 0.00 0.00 52.55 51.91 1dsx s ASP 61 Cb 0.19 -1.97 0.73 0.00 -1.46 0.00 0.00 42.92 40.41 1dsx s ASP 61 CO 0.58 -0.12 2.02 -0.65 0.52 0.00 0.00 175.17 177.52 1dsx h PRO 62 N 8.29 0.71 -0.11 4.34 0.11 -1.86 -0.07 132.00 143.42 1dsx h PRO 62 Ca -0.35 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.59 1dsx h PRO 62 Cb 1.16 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 1dsx h PRO 62 CO 0.59 0.47 -0.50 0.87 -0.21 0.00 0.00 178.00 179.23 1dsx h LYS 63 N 0.73 0.29 0.08 1.05 1.57 -1.93 -2.12 116.57 116.24 1dsx h LYS 63 Ca 0.22 -0.17 -0.27 0.00 -1.87 0.00 0.00 60.65 58.56 1dsx h LYS 63 Cb -0.02 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1dsx h LYS 63 CO -0.05 0.73 -1.35 0.87 -0.57 0.00 0.00 179.45 179.07 1dsx h LYS 64 N 0.23 0.17 0.00 3.15 1.57 -1.40 -3.34 116.57 116.95 1dsx h LYS 64 Ca 0.01 -0.28 -0.10 0.00 -1.87 0.00 0.00 60.65 58.41 1dsx h LYS 64 Cb 0.96 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 1dsx h LYS 64 CO 0.08 1.04 -0.51 0.07 -0.57 0.00 0.00 179.45 179.56 1dsx h ARG 65 N 0.05 0.00 -0.91 3.15 0.11 -1.05 -3.35 114.38 112.38 1dsx h ARG 65 Ca -0.16 0.00 0.23 0.00 0.10 0.00 0.00 59.98 60.15 1dsx h ARG 65 Cb 1.94 0.00 -0.13 0.00 1.11 0.00 0.00 29.97 32.90 1dsx h ARG 65 CO 0.15 0.46 0.39 1.98 0.10 0.00 0.00 179.97 183.06 1dsx h MET 66 N 0.00 0.36 -0.08 0.08 4.05 -1.50 0.11 114.93 117.94 1dsx h MET 66 Ca -0.01 -0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.41 1dsx h MET 66 Cb 1.37 -0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 32.08 1dsx h MET 66 CO 0.06 0.24 0.08 0.00 0.23 0.00 0.00 176.91 177.52 1dsx h ARG 67 N 0.37 0.00 -0.29 0.39 2.47 -1.79 -1.71 114.38 113.83 1dsx h ARG 67 Ca 0.58 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.30 1dsx h ARG 67 Cb 1.13 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.45 1dsx h ARG 67 CO -0.55 0.00 0.00 0.66 0.56 0.00 0.00 179.97 180.64 1dsx n TYR 68 N -3.98 0.36 -2.36 3.04 4.02 0.02 -4.98 117.16 113.29 1dsx n TYR 68 Ca -0.01 -0.18 -0.41 0.00 -0.01 0.00 0.00 57.90 57.29 1dsx n TYR 68 Cb 0.19 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.47 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 -1.64 3.41 -0.38 -0.72 5.36 -0.65 -0.62 117.98 122.74 1dsx s PHE 69 Ca 0.36 1.53 -0.02 0.00 -0.96 0.00 0.00 56.93 57.84 1dsx s PHE 69 Cb 0.21 -3.43 0.09 0.00 -0.34 0.00 0.00 43.02 39.56 1dsx s PHE 69 CO 0.30 -1.09 0.15 0.34 -1.46 0.00 0.00 175.22 173.46 1dsx s ASP 70 N -0.43 5.17 0.41 6.13 -1.08 0.13 -4.86 116.67 122.13 1dsx s ASP 70 Ca 0.48 -1.85 0.10 0.00 -0.52 0.00 0.00 52.55 50.76 1dsx s ASP 70 Cb -0.34 -1.80 0.88 0.00 -1.46 0.00 0.00 42.92 40.20 1dsx s ASP 70 CO 0.42 -0.47 1.98 1.55 0.52 0.00 0.00 175.17 179.17 1dsx h PRO 71 N 8.03 0.25 0.00 4.34 0.13 -1.95 0.78 132.00 143.58 1dsx h PRO 71 Ca -0.14 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 1dsx h PRO 71 Cb 1.05 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1dsx h PRO 71 CO 0.65 0.31 -0.23 -0.07 -0.23 0.00 0.00 178.00 178.43 1dsx h LEU 72 N 0.25 0.00 -0.40 1.56 3.38 -1.95 -3.29 115.31 114.86 1dsx h LEU 72 Ca 0.06 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1dsx h LEU 72 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1dsx h LEU 72 CO 0.01 0.00 -0.31 0.54 0.09 0.00 0.00 178.44 178.77 1dsx n ARG 73 N -2.99 2.94 -3.63 1.13 1.74 -1.09 -5.01 116.66 109.74 1dsx n ARG 73 Ca 0.03 -0.32 -0.24 0.00 -0.77 0.00 0.00 57.85 56.55 1dsx n ARG 73 Cb 0.53 -1.01 0.04 0.00 -1.02 0.00 0.00 32.46 31.00 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 -0.70 -3.61 -3.94 0.55 4.05 0.25 -5.00 115.26 106.86 1dsx n ASN 74 Ca 0.03 -0.88 -0.12 0.00 0.45 0.00 0.00 54.58 54.05 1dsx n ASN 74 Cb 0.18 -3.95 -0.08 0.00 1.23 0.00 0.00 39.78 37.16 1dsx n ASN 74 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 1dsx s GLU 75 N -5.73 1.43 -0.19 1.20 2.02 -1.14 -4.55 118.70 111.74 1dsx s GLU 75 Ca 0.26 -1.60 -0.04 0.00 0.02 0.00 0.00 54.97 53.61 1dsx s GLU 75 Cb -0.07 0.34 -0.02 0.00 0.10 0.00 0.00 34.13 34.48 1dsx s GLU 75 CO 0.82 -0.53 -0.03 0.71 0.02 0.00 0.00 175.26 176.25 1dsx s TYR 76 N -3.92 2.98 -0.17 1.61 1.51 -0.34 0.17 117.35 119.20 1dsx s TYR 76 Ca 0.34 -0.61 -0.05 0.00 -1.01 0.00 0.00 57.07 55.74 1dsx s TYR 76 Cb 0.04 -2.05 -0.03 0.00 -0.11 0.00 0.00 41.96 39.81 1dsx s TYR 76 CO 0.14 -0.31 -0.01 0.12 -1.11 0.00 0.00 175.55 174.39 1dsx s PHE 77 N 0.99 3.08 -0.10 2.71 5.36 0.21 -0.11 117.98 130.13 1dsx s PHE 77 Ca 0.01 -0.23 0.04 0.00 -0.96 0.00 0.00 56.93 55.79 1dsx s PHE 77 Cb -0.15 -2.01 0.00 0.00 -0.34 0.00 0.00 43.02 40.53 1dsx s PHE 77 CO 0.01 -0.02 -0.24 -0.06 -1.46 0.00 0.00 175.22 173.46 1dsx s PHE 78 N 0.46 2.52 -0.99 10.12 0.40 -0.17 -4.78 117.98 125.54 1dsx s PHE 78 Ca -0.02 -1.04 -0.04 0.00 -0.60 0.00 0.00 56.93 55.23 1dsx s PHE 78 Cb -0.14 -1.69 0.12 0.00 0.51 0.00 0.00 43.02 41.83 1dsx s PHE 78 CO 0.02 -0.42 2.46 -3.47 0.70 0.00 0.00 175.22 174.51 1dsx n ASP 79 N 3.54 7.45 -3.98 1.36 2.03 -1.26 -1.35 116.55 124.34 1dsx n ASP 79 Ca -0.19 -3.23 -0.21 0.00 0.52 0.00 0.00 54.79 51.67 1dsx n ASP 79 Cb 0.53 -1.29 -0.09 0.00 -0.72 0.00 0.00 41.12 39.55 1dsx n ASP 79 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1dsx s ARG 80 N -1.72 1.73 0.10 -0.67 0.52 -1.26 -4.98 118.95 112.68 1dsx s ARG 80 Ca 0.54 -2.01 -0.32 0.00 -0.52 0.00 0.00 55.73 53.42 1dsx s ARG 80 Cb 0.26 -0.27 -0.11 0.00 0.52 0.00 0.00 34.95 35.35 1dsx s ARG 80 CO -0.15 -0.47 1.82 -1.71 0.02 0.00 0.00 175.30 174.81 1dsx n ASN 81 N -1.12 3.87 -0.01 0.23 2.85 -1.26 -4.33 115.26 115.48 1dsx n ASN 81 Ca -0.01 0.99 -0.13 0.00 -0.11 0.00 0.00 54.58 55.33 1dsx n ASN 81 Cb 0.65 -1.51 -0.10 0.00 1.24 0.00 0.00 39.78 40.06 1dsx n ASN 81 CO 0.00 0.00 0.00 0.03 -2.11 0.00 0.00 177.26 175.18 1dsx h ARG 82 N 8.42 -0.05 -0.44 1.20 3.08 -1.96 -3.33 114.38 121.29 1dsx h ARG 82 Ca -0.47 0.00 0.08 0.00 0.07 0.00 0.00 59.98 59.67 1dsx h ARG 82 Cb 1.23 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.27 1dsx h ARG 82 CO 0.94 0.55 0.30 -1.35 -1.07 0.00 0.00 179.97 179.34 1dsx h PRO 83 N -0.73 0.23 0.00 0.04 0.11 -1.98 -2.15 132.00 127.52 1dsx h PRO 83 Ca -0.01 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.03 1dsx h PRO 83 Cb 0.63 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.68 1dsx h PRO 83 CO 0.01 0.15 -0.30 0.77 -0.21 0.00 0.00 178.00 178.42 1dsx h SER 84 N 0.23 0.00 0.54 -2.05 0.02 -1.99 -3.28 113.55 107.03 1dsx h SER 84 Ca 0.20 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.09 1dsx h SER 84 Cb 0.50 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 1dsx h SER 84 CO -0.04 0.30 -0.30 0.15 -1.14 0.00 0.00 176.83 175.81 1dsx h PHE 85 N 0.00 0.00 -0.90 3.45 3.57 -1.51 -2.71 116.94 118.84 1dsx h PHE 85 Ca -0.00 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.57 1dsx h PHE 85 Cb 0.56 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.23 1dsx h PHE 85 CO 0.00 0.30 0.56 -0.44 -2.23 0.00 0.00 178.31 176.50 1dsx h ASP 86 N 0.00 0.87 0.34 0.41 3.32 -1.73 0.74 116.42 120.38 1dsx h ASP 86 Ca -0.00 0.02 -0.16 0.00 0.02 0.00 0.00 57.03 56.91 1dsx h ASP 86 Cb 0.65 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 1dsx h ASP 86 CO 0.04 0.54 -0.65 0.00 -1.72 0.00 0.00 179.24 177.44 1dsx h ALA 87 N 1.44 0.76 -0.47 3.45 0.00 -1.71 -1.15 119.26 121.58 1dsx h ALA 87 Ca 0.40 -0.57 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1dsx h ALA 87 Cb 0.23 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1dsx h ALA 87 CO -0.19 0.75 0.20 0.82 0.00 0.00 0.00 179.25 180.83 1dsx h ILE 88 N 0.21 1.20 -0.89 0.00 1.08 -1.18 -1.11 117.51 116.81 1dsx h ILE 88 Ca -0.01 -0.61 -0.01 0.00 -0.39 0.00 0.00 64.86 63.83 1dsx h ILE 88 Cb 1.18 0.73 -0.04 0.00 -3.07 0.00 0.00 36.82 35.62 1dsx h ILE 88 CO 0.10 0.23 0.51 0.25 -0.69 0.00 0.00 178.15 178.56 1dsx h LEU 89 N 0.62 1.09 -1.11 1.44 5.85 -0.77 -2.52 115.31 119.90 1dsx h LEU 89 Ca 0.16 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 1dsx h LEU 89 Cb 0.18 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 1dsx h LEU 89 CO -0.01 0.85 0.04 0.22 -0.34 0.00 0.00 178.44 179.20 1dsx h TYR 90 N 1.23 0.69 -0.50 1.25 3.20 -0.86 -1.09 116.97 120.89 1dsx h TYR 90 Ca 0.32 -0.07 0.07 0.00 3.14 0.00 0.00 58.73 62.19 1dsx h TYR 90 Cb -0.01 -0.20 -0.06 0.00 1.54 0.00 0.00 36.73 38.00 1dsx h TYR 90 CO 0.01 0.63 0.16 -0.92 -1.64 0.00 0.00 178.16 176.40 1dsx h TYR 91 N 0.64 0.28 -0.20 -3.82 3.20 -0.77 0.15 116.97 116.44 1dsx h TYR 91 Ca 0.14 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.94 1dsx h TYR 91 Cb 0.34 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.56 1dsx h TYR 91 CO 0.02 0.07 -0.23 1.88 -1.64 0.00 0.00 178.16 178.25 1dsx h TYR 92 N 0.33 0.62 -0.54 -3.82 -1.99 -1.28 0.13 116.97 110.41 1dsx h TYR 92 Ca 0.25 -0.20 -0.07 0.00 2.00 0.00 0.00 58.73 60.71 1dsx h TYR 92 Cb 0.28 -0.13 -0.02 0.00 2.00 0.00 0.00 36.73 38.86 1dsx h TYR 92 CO -0.18 0.88 0.04 1.96 -0.00 0.00 0.00 178.16 180.86 1dsx h GLN 93 N 0.18 0.89 0.00 4.88 4.20 -0.91 -2.90 115.11 121.44 1dsx h GLN 93 Ca 0.03 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.50 1dsx h GLN 93 Cb 0.79 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.47 1dsx h GLN 93 CO 0.06 0.87 -0.18 -1.13 -0.67 0.00 0.00 178.83 177.78 1dsx n SER 94 N -4.21 0.66 0.00 1.46 3.41 0.48 -4.93 113.62 110.49 1dsx n SER 94 Ca 0.03 0.42 0.00 0.00 -0.26 0.00 0.00 58.87 59.06 1dsx n SER 94 Cb 0.30 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 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 1.35 0.64 0.00 5.00 0.00 -0.99 -4.40 105.19 106.79 1dsx n GLY 95 Ca 0.05 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.34 0.34 3.60 -0.02 0.00 0.41 -5.03 105.19 102.14 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 0.00 3.31 -0.60 1.61 0.52 -1.26 -4.94 118.95 117.59 1dsx s ARG 97 Ca 0.00 1.31 -0.18 0.00 -0.52 0.00 0.00 55.73 56.34 1dsx s ARG 97 Cb 0.00 -4.19 0.11 0.00 0.52 0.00 0.00 34.95 31.39 1dsx s ARG 97 CO 0.00 -1.89 0.68 -1.17 0.02 0.00 0.00 175.30 172.94 1dsx s LEU 98 N 6.90 5.55 -0.08 2.53 2.96 -1.26 -3.65 118.68 131.63 1dsx s LEU 98 Ca 0.77 -1.54 0.05 0.00 -0.22 0.00 0.00 54.13 53.18 1dsx s LEU 98 Cb -0.21 -2.29 -0.01 0.00 0.50 0.00 0.00 46.19 44.19 1dsx s LEU 98 CO 0.32 -1.06 -0.24 -0.13 -1.32 0.00 0.00 176.35 173.92 1dsx s ARG 99 N 2.44 2.82 -0.09 1.98 0.52 -1.26 -5.11 118.95 120.25 1dsx s ARG 99 Ca 0.11 -0.89 -0.28 0.00 -0.52 0.00 0.00 55.73 54.15 1dsx s ARG 99 Cb -0.24 -2.24 -0.02 0.00 0.52 0.00 0.00 34.95 32.96 1dsx s ARG 99 CO 0.05 0.28 0.91 0.50 0.02 0.00 0.00 175.30 177.05 1dsx s ARG 100 N 0.10 4.43 0.25 3.54 3.52 -1.26 -4.78 118.95 124.75 1dsx s ARG 100 Ca -0.12 1.23 -0.30 0.00 -0.13 0.00 0.00 55.73 56.41 1dsx s ARG 100 Cb -0.16 -3.52 -0.11 0.00 -1.56 0.00 0.00 34.95 29.61 1dsx s ARG 100 CO 0.06 -0.20 1.52 -1.25 -0.81 0.00 0.00 175.30 174.63 1dsx s PRO 101 N 1.63 4.20 0.44 5.12 0.05 -1.26 -4.90 135.00 140.29 1dsx s PRO 101 Ca 0.45 2.42 0.12 0.00 0.05 0.00 0.00 61.00 64.03 1dsx s PRO 101 Cb -0.18 -3.08 1.01 0.00 0.05 0.00 0.00 34.50 32.29 1dsx s PRO 101 CO 0.19 -0.53 2.05 0.28 0.05 0.00 0.00 177.00 179.04 1dsx h VAL 102 N 3.55 1.01 0.00 -0.36 2.07 -2.00 -2.65 116.25 117.87 1dsx h VAL 102 Ca -0.46 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1dsx h VAL 102 Cb 1.22 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1dsx h VAL 102 CO 0.80 0.07 0.00 0.59 0.02 0.00 0.00 177.57 179.06 1dsx n ASN 103 N -4.48 0.00 -4.38 0.57 4.13 -1.26 -4.74 115.26 105.10 1dsx n ASN 103 Ca 0.04 -0.15 -0.34 0.00 1.68 0.00 0.00 54.58 55.81 1dsx n ASN 103 Cb 0.18 -0.27 -0.14 0.00 -1.54 0.00 0.00 39.78 38.02 1dsx n ASN 103 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1dsx s VAL 104 N -2.54 3.42 0.51 2.41 1.01 -1.00 -5.09 120.40 119.11 1dsx s VAL 104 Ca 0.27 -0.51 -0.22 0.00 0.00 0.00 0.00 61.98 61.53 1dsx s VAL 104 Cb 0.19 -2.51 -0.07 0.00 0.00 0.00 0.00 36.38 33.99 1dsx s VAL 104 CO 0.42 0.47 1.18 -2.65 0.00 0.00 0.00 175.10 174.52 1dsx n PRO 105 N 4.08 1.49 -0.23 2.72 -0.02 -1.26 -4.74 135.00 137.03 1dsx n PRO 105 Ca -0.18 0.54 0.03 0.00 -2.02 0.00 0.00 63.50 61.88 1dsx n PRO 105 Cb 0.52 -2.34 0.27 0.00 -0.02 0.00 0.00 33.50 31.93 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 0.82 -0.44 2.45 5.85 -1.96 -1.51 115.31 121.87 1dsx h LEU 106 Ca -0.48 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.14 1dsx h LEU 106 Cb 1.32 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 1dsx h LEU 106 CO 0.56 0.56 -0.08 -2.24 -0.34 0.00 0.00 178.44 176.90 1dsx h ASP 107 N 0.95 0.84 -0.17 1.25 2.03 -2.00 -0.12 116.42 119.20 1dsx h ASP 107 Ca 0.32 -0.35 -0.01 0.00 -0.73 0.00 0.00 57.03 56.26 1dsx h ASP 107 Cb 0.07 -0.23 -0.01 0.00 -0.83 0.00 0.00 39.33 38.34 1dsx h ASP 107 CO -0.10 0.99 0.08 0.40 -1.03 0.00 0.00 179.24 179.59 1dsx h ILE 108 N 0.67 1.13 -0.72 4.15 2.04 -1.87 -2.67 117.51 120.23 1dsx h ILE 108 Ca 0.12 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 1dsx h ILE 108 Cb 0.61 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.72 1dsx h ILE 108 CO 0.04 0.12 0.39 0.15 0.00 0.00 0.00 178.15 178.85 1dsx h PHE 109 N 0.15 0.99 0.00 1.37 3.57 -1.16 -2.41 116.94 119.45 1dsx h PHE 109 Ca 0.06 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 1dsx h PHE 109 Cb 0.12 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.54 1dsx h PHE 109 CO -0.03 0.70 -0.20 0.77 -2.23 0.00 0.00 178.31 177.33 1dsx h SER 110 N 0.99 0.00 -0.47 0.41 0.02 -0.87 -1.25 113.55 112.38 1dsx h SER 110 Ca 0.25 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 61.07 1dsx h SER 110 Cb 0.04 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1dsx h SER 110 CO -0.04 0.20 -0.23 -0.08 -1.14 0.00 0.00 176.83 175.54 1dsx h GLU 111 N 0.00 0.98 -0.58 3.45 4.57 -1.10 -1.97 114.58 119.93 1dsx h GLU 111 Ca -0.00 -0.43 -0.09 0.00 -1.18 0.00 0.00 59.36 57.66 1dsx h GLU 111 Cb 0.42 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.97 1dsx h GLU 111 CO 0.03 1.10 -0.01 0.93 -1.18 0.00 0.00 179.01 179.88 1dsx h GLU 112 N 0.83 1.02 -0.41 1.92 4.39 -0.95 -0.97 114.58 120.40 1dsx h GLU 112 Ca 0.10 -0.32 0.01 0.00 0.34 0.00 0.00 59.36 59.50 1dsx h GLU 112 Cb 0.81 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.34 1dsx h GLU 112 CO 0.07 1.00 0.25 0.82 -1.16 0.00 0.00 179.01 179.99 1dsx h ILE 113 N 0.93 1.06 -0.18 3.13 2.04 -1.11 -0.62 117.51 122.76 1dsx h ILE 113 Ca 0.17 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1dsx h ILE 113 Cb 0.55 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1dsx h ILE 113 CO 0.03 0.09 0.08 0.03 0.00 0.00 0.00 178.15 178.39 1dsx h ARG 114 N 0.50 0.26 -0.65 2.37 3.08 -1.21 -1.65 114.38 117.09 1dsx h ARG 114 Ca 0.16 -0.04 0.08 0.00 0.07 0.00 0.00 59.98 60.24 1dsx h ARG 114 Cb -0.01 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 29.93 1dsx h ARG 114 CO -0.06 0.31 0.32 0.35 -1.07 0.00 0.00 179.97 179.82 1dsx h PHE 115 N 0.16 0.58 0.00 3.04 3.57 -0.71 -1.14 116.94 122.44 1dsx h PHE 115 Ca 0.06 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.59 1dsx h PHE 115 Cb 0.13 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.71 1dsx h PHE 115 CO -0.02 0.24 0.00 0.66 -2.23 0.00 0.00 178.31 176.95 1dsx n TYR 116 N -4.87 0.00 -3.57 0.41 4.02 -0.28 -4.82 117.16 108.05 1dsx n TYR 116 Ca 0.09 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.77 1dsx n TYR 116 Cb 0.22 -0.14 0.07 0.00 -0.02 0.00 0.00 39.34 39.47 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 -1.14 -6.82 0.04 -0.72 1.02 -0.43 -1.65 120.64 110.94 1dsx n GLU 117 Ca 0.18 0.79 -0.03 0.00 -0.02 0.00 0.00 57.16 58.09 1dsx n GLU 117 Cb 0.17 -5.76 -0.01 0.00 -0.02 0.00 0.00 31.44 25.82 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 -2.21 -0.16 0.00 -4.62 3.38 -1.71 -3.37 115.31 106.62 1dsx h LEU 118 Ca -0.58 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.39 1dsx h LEU 118 Cb 1.36 0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.15 1dsx h LEU 118 CO 0.55 0.21 0.00 0.61 0.09 0.00 0.00 178.44 179.89