#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 1.27 0.01 3.49 0.52 -1.26 -1.62 118.95 121.37 1dsx s ARG 34 Ca 0.00 -1.45 0.08 0.00 -0.52 0.00 0.00 55.73 53.84 1dsx s ARG 34 Cb 0.00 -1.23 -0.02 0.00 0.52 0.00 0.00 34.95 34.22 1dsx s ARG 34 CO 0.00 0.23 -0.25 0.08 0.02 0.00 0.00 175.30 175.39 1dsx s VAL 35 N -2.34 1.99 -0.23 3.52 1.01 0.88 -4.80 120.40 120.42 1dsx s VAL 35 Ca 0.17 -1.21 -0.09 0.00 0.00 0.00 0.00 61.98 60.86 1dsx s VAL 35 Cb -0.04 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 1dsx s VAL 35 CO 0.06 0.43 0.11 -0.69 0.00 0.00 0.00 175.10 175.02 1dsx s VAL 36 N -0.70 4.96 -0.24 2.92 1.01 -1.26 -1.34 120.40 125.75 1dsx s VAL 36 Ca 0.10 0.04 -0.02 0.00 0.00 0.00 0.00 61.98 62.10 1dsx s VAL 36 Cb -0.10 -3.29 0.02 0.00 0.00 0.00 0.00 36.38 33.01 1dsx s VAL 36 CO 0.01 0.37 -0.06 -0.63 0.00 0.00 0.00 175.10 174.78 1dsx s ILE 37 N 1.02 2.94 -0.45 2.22 1.01 0.26 -0.87 121.20 127.32 1dsx s ILE 37 Ca 0.06 -0.91 -0.12 0.00 0.00 0.00 0.00 60.65 59.68 1dsx s ILE 37 Cb -0.14 -2.44 0.08 0.00 0.01 0.00 0.00 42.46 39.97 1dsx s ILE 37 CO 0.04 0.27 0.33 0.21 0.00 0.00 0.00 174.94 175.78 1dsx s ASN 38 N 1.36 5.90 -0.58 3.58 3.84 0.13 -0.31 114.94 128.85 1dsx s ASN 38 Ca 0.02 -1.43 -0.18 0.00 0.21 0.00 0.00 52.86 51.48 1dsx s ASN 38 Cb -0.16 -2.09 0.11 0.00 -0.55 0.00 0.00 41.25 38.56 1dsx s ASN 38 CO -0.05 -0.60 0.67 -0.63 -2.79 0.00 0.00 177.10 173.70 1dsx s ILE 39 N 1.53 4.89 -1.64 -5.21 -1.09 -0.38 -1.00 121.20 118.30 1dsx s ILE 39 Ca 0.04 -1.08 -0.12 0.00 -2.23 0.00 0.00 60.65 57.26 1dsx s ILE 39 Cb -0.24 -4.46 0.11 0.00 -1.58 0.00 0.00 42.46 36.29 1dsx s ILE 39 CO 0.04 -1.08 0.51 -1.20 -1.23 0.00 0.00 174.94 171.99 1dsx n SER 40 N 6.14 -1.51 0.00 3.58 7.64 -0.28 -0.96 113.62 128.23 1dsx n SER 40 Ca -0.10 -1.11 0.00 0.00 1.01 0.00 0.00 58.87 58.67 1dsx n SER 40 Cb 0.42 -2.38 0.00 0.00 -1.01 0.00 0.00 64.21 61.24 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 -1.70 1.39 3.60 0.23 0.00 -1.26 -5.04 105.19 102.41 1dsx n GLY 41 Ca -0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 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 4.06 -0.12 0.99 0.20 -0.13 -5.06 118.68 118.62 1dsx s LEU 42 Ca 0.00 0.17 -0.16 0.00 0.69 0.00 0.00 54.13 54.83 1dsx s LEU 42 Cb 0.00 -2.34 -0.05 0.00 -0.43 0.00 0.00 46.19 43.38 1dsx s LEU 42 CO 0.00 -0.16 0.40 -0.13 -0.29 0.00 0.00 176.35 176.17 1dsx s ARG 43 N 1.98 4.25 -0.00 1.98 0.52 -1.26 -1.25 118.95 125.16 1dsx s ARG 43 Ca 0.13 0.31 0.08 0.00 -0.52 0.00 0.00 55.73 55.73 1dsx s ARG 43 Cb -0.16 -3.40 -0.02 0.00 0.52 0.00 0.00 34.95 31.88 1dsx s ARG 43 CO 0.10 0.26 -0.25 -0.06 0.02 0.00 0.00 175.30 175.37 1dsx s PHE 44 N 0.34 2.35 -0.19 -0.53 0.40 0.57 -4.98 117.98 115.95 1dsx s PHE 44 Ca 0.22 -0.41 0.01 0.00 -0.60 0.00 0.00 56.93 56.15 1dsx s PHE 44 Cb -0.14 -1.48 0.03 0.00 0.51 0.00 0.00 43.02 41.94 1dsx s PHE 44 CO 0.08 0.03 -0.15 -1.21 0.70 0.00 0.00 175.22 174.67 1dsx s GLU 45 N -0.81 2.52 0.03 0.44 2.02 -1.26 -0.58 118.70 121.06 1dsx s GLU 45 Ca 0.11 -0.89 0.07 0.00 0.02 0.00 0.00 54.97 54.29 1dsx s GLU 45 Cb -0.10 -2.52 -0.03 0.00 0.10 0.00 0.00 34.13 31.58 1dsx s GLU 45 CO 0.00 -0.33 -0.21 0.08 0.02 0.00 0.00 175.26 174.82 1dsx s VAL 46 N 1.31 2.56 0.25 2.63 1.01 -0.45 -4.93 120.40 122.78 1dsx s VAL 46 Ca 0.01 -1.19 -0.30 0.00 0.00 0.00 0.00 61.98 60.50 1dsx s VAL 46 Cb -0.15 -2.03 -0.09 0.00 0.00 0.00 0.00 36.38 34.11 1dsx s VAL 46 CO -0.10 0.39 1.28 -1.10 0.00 0.00 0.00 175.10 175.57 1dsx s GLN 47 N -1.23 4.42 0.20 2.72 -1.52 -1.26 -0.09 119.66 122.90 1dsx s GLN 47 Ca 0.13 2.06 -0.11 0.00 -1.95 0.00 0.00 55.36 55.49 1dsx s GLN 47 Cb -0.10 -3.16 0.14 0.00 -0.22 0.00 0.00 33.01 29.67 1dsx s GLN 47 CO 0.03 -0.17 1.87 -0.07 -0.25 0.00 0.00 175.29 176.71 1dsx h LEU 48 N 4.61 0.81 -0.98 2.90 3.38 -1.62 -1.94 115.31 122.47 1dsx h LEU 48 Ca -0.46 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.53 1dsx h LEU 48 Cb 1.22 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.71 1dsx h LEU 48 CO 0.72 0.59 0.64 0.11 0.09 0.00 0.00 178.44 180.59 1dsx h LYS 49 N 0.96 1.19 0.00 1.13 1.57 -1.91 0.04 116.57 119.55 1dsx h LYS 49 Ca 0.26 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1dsx h LYS 49 Cb -0.11 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 31.93 1dsx h LYS 49 CO -0.06 0.79 -0.00 1.15 -0.57 0.00 0.00 179.45 180.76 1dsx h THR 50 N 1.23 1.15 -0.56 -0.16 2.02 -1.75 -2.76 112.91 112.07 1dsx h THR 50 Ca 0.40 -0.45 0.03 0.00 0.77 0.00 0.00 66.41 67.15 1dsx h THR 50 Cb 0.03 1.46 -0.03 0.00 -1.74 0.00 0.00 68.15 67.86 1dsx h THR 50 CO -0.13 0.12 0.37 -0.07 0.37 0.00 0.00 175.52 176.18 1dsx h LEU 51 N -0.20 0.58 -0.87 2.58 3.38 -1.07 -1.83 115.31 117.88 1dsx h LEU 51 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1dsx h LEU 51 Cb 0.20 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1dsx h LEU 51 CO 0.00 0.41 0.00 0.00 0.09 0.00 0.00 178.44 178.94 1dsx h ALA 52 N 1.67 1.00 0.00 1.53 0.00 -0.72 -2.14 119.26 120.60 1dsx h ALA 52 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1dsx h ALA 52 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1dsx h ALA 52 CO -0.06 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.23 1dsx n GLN 53 N -2.36 0.02 -3.30 0.00 6.02 -0.69 -3.94 117.38 113.13 1dsx n GLN 53 Ca 0.02 0.11 -0.25 0.00 -0.01 0.00 0.00 57.00 56.87 1dsx n GLN 53 Cb 0.23 -1.50 -0.07 0.00 1.02 0.00 0.00 30.24 29.91 1dsx n GLN 53 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1dsx n PHE 54 N -1.49 1.95 0.33 1.08 3.01 -0.80 -4.94 117.46 116.60 1dsx n PHE 54 Ca 0.06 -3.90 0.11 0.00 1.01 0.00 0.00 57.45 54.72 1dsx n PHE 54 Cb 0.26 -0.47 0.48 0.00 -0.01 0.00 0.00 39.48 39.74 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 0.99 0.15 0.12 -1.08 -0.04 -1.25 -1.77 135.00 132.13 1dsx n PRO 55 Ca 0.26 0.46 0.13 0.00 -0.04 0.00 0.00 63.50 64.32 1dsx n PRO 55 Cb 0.47 -1.84 0.39 0.00 -0.04 0.00 0.00 33.50 32.47 1dsx n PRO 55 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1dsx h GLU 56 N 0.00 0.00 -6.68 0.54 9.09 -1.92 -3.36 114.58 112.25 1dsx h GLU 56 Ca 0.00 0.00 -0.45 0.00 0.05 0.00 0.00 59.36 58.96 1dsx h GLU 56 Cb 0.25 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 27.38 1dsx h GLU 56 CO 0.00 0.00 -0.11 0.95 0.05 0.00 0.00 179.01 179.90 1dsx s THR 57 N -3.13 3.76 0.09 -1.06 -4.23 -0.73 -4.92 115.64 105.42 1dsx s THR 57 Ca 0.10 -0.59 -0.29 0.00 -1.18 0.00 0.00 61.69 59.73 1dsx s THR 57 Cb 0.11 -3.38 -0.14 0.00 1.34 0.00 0.00 72.50 70.43 1dsx s THR 57 CO 0.59 -0.25 1.65 0.25 -0.54 0.00 0.00 174.62 176.32 1dsx h LEU 58 N 0.40 -0.64 -1.43 4.79 6.46 -1.57 -2.38 115.31 120.94 1dsx h LEU 58 Ca -0.45 0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 57.35 1dsx h LEU 58 Cb 1.26 0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 41.39 1dsx h LEU 58 CO 0.56 -0.38 -0.03 -0.07 -0.62 0.00 0.00 178.44 177.89 1dsx h LEU 59 N -0.59 0.00 -0.12 2.25 3.38 -1.90 -2.66 115.31 115.67 1dsx h LEU 59 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1dsx h LEU 59 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1dsx h LEU 59 CO 0.01 0.03 -0.32 0.61 0.09 0.00 0.00 178.44 178.86 1dsx n GLY 60 N 0.03 -1.14 3.31 0.83 0.00 -1.04 -4.76 105.19 102.42 1dsx n GLY 60 Ca 0.00 -0.31 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.84 5.00 0.36 1.61 -1.08 -0.92 -4.29 116.67 114.50 1dsx s ASP 61 Ca 0.16 -0.79 0.07 0.00 -0.52 0.00 0.00 52.55 51.47 1dsx s ASP 61 Cb 0.18 -1.84 0.76 0.00 -1.46 0.00 0.00 42.92 40.56 1dsx s ASP 61 CO 0.61 -0.19 1.93 -0.65 0.52 0.00 0.00 175.17 177.38 1dsx h PRO 62 N 8.19 0.73 -0.11 4.34 0.11 -1.86 0.78 132.00 144.18 1dsx h PRO 62 Ca -0.31 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.65 1dsx h PRO 62 Cb 1.12 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 1dsx h PRO 62 CO 0.60 0.48 -0.44 -0.22 -0.21 0.00 0.00 178.00 178.21 1dsx h LYS 63 N 0.75 0.27 0.22 1.05 1.63 -1.94 -1.66 116.57 116.89 1dsx h LYS 63 Ca 0.36 -0.14 -0.33 0.00 -0.85 0.00 0.00 60.65 59.70 1dsx h LYS 63 Cb 0.42 0.00 0.03 0.00 -0.60 0.00 0.00 32.23 32.07 1dsx h LYS 63 CO -0.14 0.66 -1.51 0.87 -3.45 0.00 0.00 179.45 175.88 1dsx h LYS 64 N 0.22 0.47 -0.60 1.90 1.57 -1.18 -3.34 116.57 115.61 1dsx h LYS 64 Ca 0.02 -0.80 -0.02 0.00 -1.87 0.00 0.00 60.65 57.97 1dsx h LYS 64 Cb 0.86 0.30 -0.03 0.00 0.08 0.00 0.00 32.23 33.44 1dsx h LYS 64 CO 0.07 1.38 0.29 0.00 -0.57 0.00 0.00 179.45 180.62 1dsx h ARG 65 N 0.07 0.86 -0.98 3.15 3.08 -0.98 -3.30 114.38 116.29 1dsx h ARG 65 Ca -0.28 -0.13 0.33 0.00 0.07 0.00 0.00 59.98 59.97 1dsx h ARG 65 Cb 2.09 -0.16 -0.17 0.00 0.08 0.00 0.00 29.97 31.82 1dsx h ARG 65 CO 0.23 0.70 0.35 1.98 -1.07 0.00 0.00 179.97 182.16 1dsx h MET 66 N 0.82 0.10 0.00 0.04 4.05 -1.42 0.08 114.93 118.60 1dsx h MET 66 Ca 0.21 -0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.62 1dsx h MET 66 Cb 0.12 -0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 30.89 1dsx h MET 66 CO -0.03 0.06 -0.01 0.00 0.23 0.00 0.00 176.91 177.17 1dsx h ARG 67 N 0.10 0.00 -0.28 0.39 3.08 -1.77 -1.60 114.38 114.30 1dsx h ARG 67 Ca 0.71 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.76 1dsx h ARG 67 Cb 1.67 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.72 1dsx h ARG 67 CO -0.76 0.01 0.00 0.66 -1.07 0.00 0.00 179.97 178.81 1dsx n TYR 68 N -3.25 0.34 -2.21 3.04 4.02 0.01 -4.98 117.16 114.14 1dsx n TYR 68 Ca -0.02 -0.17 -0.40 0.00 -0.01 0.00 0.00 57.90 57.29 1dsx n TYR 68 Cb 0.12 -0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.42 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 -1.65 3.11 -0.37 -0.72 5.36 -0.60 -0.53 117.98 122.58 1dsx s PHE 69 Ca 0.35 1.49 -0.03 0.00 -0.96 0.00 0.00 56.93 57.79 1dsx s PHE 69 Cb 0.22 -3.55 0.09 0.00 -0.34 0.00 0.00 43.02 39.44 1dsx s PHE 69 CO 0.31 -1.55 0.13 0.34 -1.46 0.00 0.00 175.22 172.99 1dsx s ASP 70 N -0.73 5.13 0.45 6.13 -1.08 0.49 -4.86 116.67 122.21 1dsx s ASP 70 Ca 0.51 -1.75 0.20 0.00 -0.52 0.00 0.00 52.55 51.00 1dsx s ASP 70 Cb -0.36 -1.79 1.08 0.00 -1.46 0.00 0.00 42.92 40.38 1dsx s ASP 70 CO 0.47 -0.44 1.94 1.55 0.52 0.00 0.00 175.17 179.22 1dsx h PRO 71 N 8.03 0.00 0.00 4.34 0.13 -1.95 -0.51 132.00 142.04 1dsx h PRO 71 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 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 0.63 0.23 -0.40 1.28 -0.23 0.00 0.00 178.00 179.51 1dsx n LEU 72 N -3.83 0.63 -0.04 1.56 4.77 -1.26 -3.94 117.00 114.90 1dsx n LEU 72 Ca -0.02 0.31 0.01 0.00 -0.03 0.00 0.00 56.01 56.28 1dsx n LEU 72 Cb 0.32 -0.25 -0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1dsx n LEU 72 CO 0.34 -0.05 0.10 0.54 -1.33 0.00 0.00 177.39 176.99 1dsx n ARG 73 N -2.00 3.82 -3.68 3.23 1.74 -1.07 -5.02 116.66 113.68 1dsx n ARG 73 Ca 0.04 -0.23 -0.24 0.00 -0.77 0.00 0.00 57.85 56.66 1dsx n ARG 73 Cb 0.41 -0.76 0.03 0.00 -1.02 0.00 0.00 32.46 31.12 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 -0.63 -2.65 -3.99 0.55 4.05 -0.22 -5.00 115.26 107.37 1dsx n ASN 74 Ca 0.01 -0.88 -0.13 0.00 0.45 0.00 0.00 54.58 54.02 1dsx n ASN 74 Cb 0.05 -3.88 -0.09 0.00 1.23 0.00 0.00 39.78 37.08 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 -5.88 1.35 -0.18 1.20 2.02 -1.16 -4.54 118.70 111.51 1dsx s GLU 75 Ca 0.17 -1.69 -0.03 0.00 0.02 0.00 0.00 54.97 53.44 1dsx s GLU 75 Cb -0.05 0.30 -0.01 0.00 0.10 0.00 0.00 34.13 34.46 1dsx s GLU 75 CO 0.83 -0.47 -0.07 0.71 0.02 0.00 0.00 175.26 176.28 1dsx s TYR 76 N -3.97 2.93 -0.17 1.61 1.51 -0.05 -0.38 117.35 118.83 1dsx s TYR 76 Ca 0.38 -0.71 -0.05 0.00 -1.01 0.00 0.00 57.07 55.68 1dsx s TYR 76 Cb 0.05 -2.00 -0.03 0.00 -0.11 0.00 0.00 41.96 39.87 1dsx s TYR 76 CO 0.15 -0.34 0.01 0.12 -1.11 0.00 0.00 175.55 174.39 1dsx s PHE 77 N 0.90 3.14 -0.11 2.71 5.36 0.31 0.22 117.98 130.52 1dsx s PHE 77 Ca -0.01 -0.10 0.03 0.00 -0.96 0.00 0.00 56.93 55.88 1dsx s PHE 77 Cb -0.15 -2.01 0.01 0.00 -0.34 0.00 0.00 43.02 40.53 1dsx s PHE 77 CO 0.01 0.08 -0.20 -0.06 -1.46 0.00 0.00 175.22 173.58 1dsx s PHE 78 N 0.31 2.30 -0.65 10.12 0.40 -0.17 -4.78 117.98 125.51 1dsx s PHE 78 Ca -0.00 -1.02 -0.05 0.00 -0.60 0.00 0.00 56.93 55.25 1dsx s PHE 78 Cb -0.13 -1.58 -0.03 0.00 0.51 0.00 0.00 43.02 41.79 1dsx s PHE 78 CO 0.02 -0.46 2.94 -3.47 0.70 0.00 0.00 175.22 174.95 1dsx n ASP 79 N 3.84 6.74 -4.23 1.36 4.64 -1.26 -1.13 116.55 126.50 1dsx n ASP 79 Ca -0.20 -2.93 -0.23 0.00 -1.38 0.00 0.00 54.79 50.05 1dsx n ASP 79 Cb 0.52 -1.35 -0.09 0.00 -1.04 0.00 0.00 41.12 39.16 1dsx n ASP 79 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 1dsx s ARG 80 N -0.45 1.78 0.14 -0.67 0.52 -1.26 -4.97 118.95 114.04 1dsx s ARG 80 Ca 0.61 -2.04 -0.32 0.00 -0.52 0.00 0.00 55.73 53.46 1dsx s ARG 80 Cb 0.30 -0.63 -0.12 0.00 0.52 0.00 0.00 34.95 35.03 1dsx s ARG 80 CO -0.12 -0.37 1.75 -1.71 0.02 0.00 0.00 175.30 174.87 1dsx n ASN 81 N -1.02 3.77 -0.01 0.23 5.15 -1.26 -4.27 115.26 117.86 1dsx n ASN 81 Ca -0.04 1.03 -0.11 0.00 -0.60 0.00 0.00 54.58 54.86 1dsx n ASN 81 Cb 0.66 -1.51 -0.09 0.00 -0.53 0.00 0.00 39.78 38.30 1dsx n ASN 81 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1dsx h ARG 82 N 7.46 -0.09 -0.60 1.20 3.08 -1.96 -3.33 114.38 120.14 1dsx h ARG 82 Ca -0.45 0.01 0.13 0.00 0.07 0.00 0.00 59.98 59.74 1dsx h ARG 82 Cb 1.23 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 31.26 1dsx h ARG 82 CO 0.94 0.49 0.41 -1.35 -1.07 0.00 0.00 179.97 179.39 1dsx h PRO 83 N -0.85 0.23 0.00 0.04 0.11 -1.98 -1.65 132.00 127.91 1dsx h PRO 83 Ca -0.01 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.04 1dsx h PRO 83 Cb 0.62 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.67 1dsx h PRO 83 CO 0.02 0.15 -0.22 0.77 -0.21 0.00 0.00 178.00 178.50 1dsx h SER 84 N 0.23 0.00 0.97 -2.05 0.02 -1.99 -3.24 113.55 107.50 1dsx h SER 84 Ca 0.29 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.20 1dsx h SER 84 Cb 0.81 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.35 1dsx h SER 84 CO -0.06 0.22 -0.18 0.15 -1.14 0.00 0.00 176.83 175.83 1dsx h PHE 85 N 0.00 0.00 -0.75 3.45 3.57 -1.42 -2.59 116.94 119.20 1dsx h PHE 85 Ca -0.00 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.51 1dsx h PHE 85 Cb 0.44 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.14 1dsx h PHE 85 CO 0.00 0.18 0.49 -0.44 -2.23 0.00 0.00 178.31 176.31 1dsx h ASP 86 N 0.00 0.85 1.12 0.41 3.32 -1.72 0.19 116.42 120.59 1dsx h ASP 86 Ca -0.00 -0.02 -0.17 0.00 0.02 0.00 0.00 57.03 56.86 1dsx h ASP 86 Cb 0.71 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 1dsx h ASP 86 CO 0.02 0.61 -0.81 0.00 -1.72 0.00 0.00 179.24 177.34 1dsx h ALA 87 N 1.54 0.50 -0.35 3.45 0.00 -1.68 -1.19 119.26 121.52 1dsx h ALA 87 Ca 0.28 -0.74 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 1dsx h ALA 87 Cb -0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1dsx h ALA 87 CO -0.06 1.01 0.01 0.82 0.00 0.00 0.00 179.25 181.03 1dsx h ILE 88 N 0.00 1.26 -0.69 0.00 1.08 -1.13 -1.35 117.51 116.68 1dsx h ILE 88 Ca -0.01 -0.96 0.02 0.00 -0.39 0.00 0.00 64.86 63.52 1dsx h ILE 88 Cb 1.59 1.18 -0.04 0.00 -3.07 0.00 0.00 36.82 36.48 1dsx h ILE 88 CO 0.11 0.32 0.44 0.25 -0.69 0.00 0.00 178.15 178.58 1dsx h LEU 89 N 0.43 0.75 -1.24 1.44 5.85 -0.48 -2.47 115.31 119.60 1dsx h LEU 89 Ca 0.10 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 1dsx h LEU 89 Cb 0.44 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 1dsx h LEU 89 CO 0.02 0.54 0.39 0.22 -0.34 0.00 0.00 178.44 179.26 1dsx h TYR 90 N 0.89 0.88 -0.50 1.25 3.20 -1.10 -0.10 116.97 121.49 1dsx h TYR 90 Ca 0.26 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.22 1dsx h TYR 90 Cb -0.06 -0.29 -0.07 0.00 1.54 0.00 0.00 36.73 37.85 1dsx h TYR 90 CO -0.03 0.60 0.08 -0.92 -1.64 0.00 0.00 178.16 176.24 1dsx h TYR 91 N 0.92 0.11 -0.18 -3.82 3.20 -0.76 0.11 116.97 116.55 1dsx h TYR 91 Ca 0.24 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 62.04 1dsx h TYR 91 Cb -0.01 0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.28 1dsx h TYR 91 CO 0.00 -0.04 -0.28 1.88 -1.64 0.00 0.00 178.16 178.09 1dsx h TYR 92 N 0.20 0.63 -0.31 -3.82 -1.99 -1.27 0.22 116.97 110.63 1dsx h TYR 92 Ca 0.25 -0.21 -0.08 0.00 2.00 0.00 0.00 58.73 60.69 1dsx h TYR 92 Cb 0.36 -0.12 -0.02 0.00 2.00 0.00 0.00 36.73 38.95 1dsx h TYR 92 CO -0.25 0.92 -0.14 1.96 -0.00 0.00 0.00 178.16 180.65 1dsx h GLN 93 N 0.16 0.53 -0.00 4.88 4.20 -0.66 -2.26 115.11 121.95 1dsx h GLN 93 Ca 0.02 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.56 1dsx h GLN 93 Cb 0.86 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.59 1dsx h GLN 93 CO 0.06 0.67 -0.01 -1.13 -0.67 0.00 0.00 178.83 177.75 1dsx n SER 94 N -4.18 0.04 0.00 1.46 3.41 0.35 -4.91 113.62 109.79 1dsx n SER 94 Ca 0.01 -0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 1dsx n SER 94 Cb 0.34 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 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 1.31 0.51 0.00 5.00 0.00 -0.85 -4.33 105.19 106.82 1dsx n GLY 95 Ca 0.13 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.26 1.64 3.54 -0.02 0.00 0.75 -5.03 105.19 103.81 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 -0.06 3.39 -0.36 1.61 0.52 -1.24 -5.03 118.95 117.78 1dsx s ARG 97 Ca 0.00 -0.19 -0.19 0.00 -0.52 0.00 0.00 55.73 54.83 1dsx s ARG 97 Cb 0.00 -3.92 0.00 0.00 0.52 0.00 0.00 34.95 31.55 1dsx s ARG 97 CO 0.00 -1.01 0.56 -1.17 0.02 0.00 0.00 175.30 173.70 1dsx s LEU 98 N 2.99 4.36 0.02 2.53 2.96 -1.26 -4.01 118.68 126.28 1dsx s LEU 98 Ca 0.26 -0.04 0.05 0.00 -0.22 0.00 0.00 54.13 54.18 1dsx s LEU 98 Cb -0.13 -2.65 -0.02 0.00 0.50 0.00 0.00 46.19 43.89 1dsx s LEU 98 CO 0.20 -0.55 -0.16 -0.13 -1.32 0.00 0.00 176.35 174.38 1dsx s ARG 99 N 2.52 1.15 -0.15 1.98 0.52 -1.26 -5.13 118.95 118.59 1dsx s ARG 99 Ca 0.20 -0.74 -0.14 0.00 -0.52 0.00 0.00 55.73 54.53 1dsx s ARG 99 Cb -0.15 -1.17 -0.05 0.00 0.52 0.00 0.00 34.95 34.10 1dsx s ARG 99 CO 0.14 0.30 0.31 1.03 0.02 0.00 0.00 175.30 177.11 1dsx s ARG 100 N -0.90 4.23 0.48 3.54 0.52 -1.26 -4.88 118.95 120.68 1dsx s ARG 100 Ca 0.04 0.13 -0.22 0.00 -0.52 0.00 0.00 55.73 55.17 1dsx s ARG 100 Cb -0.07 -3.41 -0.07 0.00 0.52 0.00 0.00 34.95 31.91 1dsx s ARG 100 CO 0.01 0.26 1.15 -1.25 0.02 0.00 0.00 175.30 175.49 1dsx s PRO 101 N 0.38 3.65 0.38 3.54 0.04 -1.26 -4.95 135.00 136.77 1dsx s PRO 101 Ca 0.18 1.71 0.20 0.00 0.04 0.00 0.00 61.00 63.12 1dsx s PRO 101 Cb -0.13 -2.28 0.56 0.00 0.04 0.00 0.00 34.50 32.68 1dsx s PRO 101 CO 0.05 -0.63 1.67 0.28 0.04 0.00 0.00 177.00 178.41 1dsx h VAL 102 N 1.67 0.63 -0.62 -0.36 2.07 -2.01 -3.26 116.25 114.38 1dsx h VAL 102 Ca -0.50 -1.52 0.00 0.00 0.82 0.00 0.00 66.70 65.51 1dsx h VAL 102 Cb 1.25 2.03 0.00 0.00 -1.52 0.00 0.00 31.29 33.05 1dsx h VAL 102 CO 0.59 0.31 0.00 0.59 0.02 0.00 0.00 177.57 179.08 1dsx n ASN 103 N -3.32 3.85 -4.13 0.57 3.02 -1.26 -4.78 115.26 109.21 1dsx n ASN 103 Ca 0.01 -2.18 -0.32 0.00 -0.03 0.00 0.00 54.58 52.06 1dsx n ASN 103 Cb 0.55 -0.49 -0.16 0.00 -0.61 0.00 0.00 39.78 39.07 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 -1.45 1.99 0.55 2.41 1.01 -1.23 -5.09 120.40 118.60 1dsx s VAL 104 Ca 0.44 -0.91 -0.21 0.00 0.00 0.00 0.00 61.98 61.30 1dsx s VAL 104 Cb 0.26 -1.79 -0.05 0.00 0.00 0.00 0.00 36.38 34.80 1dsx s VAL 104 CO 0.26 0.53 1.22 -2.65 0.00 0.00 0.00 175.10 174.46 1dsx n PRO 105 N 4.41 1.42 0.20 2.72 -0.02 -1.26 -4.77 135.00 137.70 1dsx n PRO 105 Ca -0.20 0.53 0.06 0.00 -2.02 0.00 0.00 63.50 61.86 1dsx n PRO 105 Cb 0.51 -2.41 0.43 0.00 -0.02 0.00 0.00 33.50 32.01 1dsx n PRO 105 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1dsx h LEU 106 N 1.16 0.00 -0.44 2.45 3.38 -1.98 -1.21 115.31 118.67 1dsx h LEU 106 Ca -0.49 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.38 1dsx h LEU 106 Cb 1.33 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 1dsx h LEU 106 CO 0.55 0.32 -0.08 -2.24 0.09 0.00 0.00 178.44 177.08 1dsx h ASP 107 N 0.00 0.83 -0.28 -0.43 2.03 -1.99 0.11 116.42 116.69 1dsx h ASP 107 Ca -0.00 -0.35 -0.04 0.00 -0.73 0.00 0.00 57.03 55.91 1dsx h ASP 107 Cb 0.67 -0.23 -0.01 0.00 -0.83 0.00 0.00 39.33 38.94 1dsx h ASP 107 CO 0.04 0.99 0.03 0.40 -1.03 0.00 0.00 179.24 179.67 1dsx h ILE 108 N 0.67 1.24 -0.68 4.15 2.04 -1.85 -2.86 117.51 120.22 1dsx h ILE 108 Ca 0.11 -0.85 -0.06 0.00 1.00 0.00 0.00 64.86 65.06 1dsx h ILE 108 Cb 0.61 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 1dsx h ILE 108 CO 0.04 0.27 0.18 0.15 0.00 0.00 0.00 178.15 178.79 1dsx h PHE 109 N 0.29 1.13 0.00 1.37 3.57 -1.09 -2.62 116.94 119.59 1dsx h PHE 109 Ca 0.08 -0.13 -0.04 0.00 3.53 0.00 0.00 57.97 61.42 1dsx h PHE 109 Cb 0.38 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 1dsx h PHE 109 CO 0.03 0.92 -0.18 0.77 -2.23 0.00 0.00 178.31 177.61 1dsx h SER 110 N 1.01 0.00 -0.16 0.41 0.02 -0.76 -0.38 113.55 113.68 1dsx h SER 110 Ca 0.21 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 61.03 1dsx h SER 110 Cb 0.35 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 1dsx h SER 110 CO -0.00 0.18 -0.35 -0.08 -1.14 0.00 0.00 176.83 175.45 1dsx h GLU 111 N 0.00 0.67 -0.46 3.45 4.57 -1.24 -1.52 114.58 120.05 1dsx h GLU 111 Ca -0.00 -0.32 -0.11 0.00 -1.18 0.00 0.00 59.36 57.75 1dsx h GLU 111 Cb 0.38 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 1dsx h GLU 111 CO 0.02 0.92 -0.15 0.93 -1.18 0.00 0.00 179.01 179.55 1dsx h GLU 112 N 0.56 0.91 -0.40 1.92 4.39 -0.99 -1.17 114.58 119.80 1dsx h GLU 112 Ca 0.06 -0.37 0.05 0.00 0.34 0.00 0.00 59.36 59.45 1dsx h GLU 112 Cb 0.86 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 29.42 1dsx h GLU 112 CO 0.07 1.02 0.12 0.82 -1.16 0.00 0.00 179.01 179.88 1dsx h ILE 113 N 0.75 0.84 -0.45 3.13 2.04 -0.75 -0.76 117.51 122.32 1dsx h ILE 113 Ca 0.11 -0.09 -0.03 0.00 1.00 0.00 0.00 64.86 65.85 1dsx h ILE 113 Cb 0.71 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 1dsx h ILE 113 CO 0.05 0.05 0.18 0.03 0.00 0.00 0.00 178.15 178.46 1dsx h ARG 114 N 0.26 0.67 -0.60 2.37 3.08 -1.18 -1.89 114.38 117.09 1dsx h ARG 114 Ca 0.19 -0.12 0.03 0.00 0.07 0.00 0.00 59.98 60.15 1dsx h ARG 114 Cb 0.20 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.09 1dsx h ARG 114 CO -0.21 0.62 0.36 0.35 -1.07 0.00 0.00 179.97 180.01 1dsx h PHE 115 N 0.58 0.67 -0.00 3.04 3.57 -0.47 -1.50 116.94 122.84 1dsx h PHE 115 Ca 0.15 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.67 1dsx h PHE 115 Cb 0.20 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.72 1dsx h PHE 115 CO 0.00 0.36 -0.01 0.66 -2.23 0.00 0.00 178.31 177.09 1dsx n TYR 116 N -4.76 0.00 -3.45 0.41 4.02 -0.36 -4.83 117.16 108.20 1dsx n TYR 116 Ca 0.06 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.76 1dsx n TYR 116 Cb 0.10 -0.16 0.08 0.00 -0.02 0.00 0.00 39.34 39.35 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 -1.10 -6.87 0.00 -0.72 1.02 -0.56 -1.74 120.64 110.66 1dsx n GLU 117 Ca 0.18 0.82 0.00 0.00 -0.02 0.00 0.00 57.16 58.14 1dsx n GLU 117 Cb 0.20 -5.78 0.00 0.00 -0.02 0.00 0.00 31.44 25.84 1dsx n GLU 117 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1dsx n LEU 118 N -4.32 2.46 0.00 -4.62 4.77 -1.03 -4.15 117.00 110.10 1dsx n LEU 118 Ca -0.19 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1dsx n LEU 118 Cb 0.63 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 1dsx n LEU 118 CO 0.60 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.27