#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 1.68 0.24 3.49 0.52 -1.26 -0.61 118.95 123.01 1dsx s ARG 34 Ca 0.00 -1.19 0.11 0.00 -0.52 0.00 0.00 55.73 54.13 1dsx s ARG 34 Cb 0.00 -1.99 -0.05 0.00 0.52 0.00 0.00 34.95 33.44 1dsx s ARG 34 CO 0.00 0.49 -0.17 0.14 0.02 0.00 0.00 175.30 175.78 1dsx s VAL 35 N -0.95 2.67 -0.20 3.52 -7.23 -0.19 -4.87 120.40 113.15 1dsx s VAL 35 Ca 0.14 -2.14 -0.07 0.00 -1.81 0.00 0.00 61.98 58.10 1dsx s VAL 35 Cb -0.10 -2.36 -0.04 0.00 0.56 0.00 0.00 36.38 34.44 1dsx s VAL 35 CO 0.05 -0.28 0.05 -0.69 -0.31 0.00 0.00 175.10 173.92 1dsx s VAL 36 N -2.14 4.56 -0.22 1.32 1.01 -1.26 -1.91 120.40 121.76 1dsx s VAL 36 Ca 0.27 -0.11 -0.01 0.00 0.00 0.00 0.00 61.98 62.14 1dsx s VAL 36 Cb -0.06 -3.07 0.02 0.00 0.00 0.00 0.00 36.38 33.26 1dsx s VAL 36 CO 0.14 0.43 -0.12 -0.63 0.00 0.00 0.00 175.10 174.92 1dsx s ILE 37 N 0.73 2.59 -0.39 2.22 1.01 -0.29 -1.01 121.20 126.05 1dsx s ILE 37 Ca 0.03 -0.94 -0.11 0.00 0.00 0.00 0.00 60.65 59.63 1dsx s ILE 37 Cb -0.13 -2.22 0.04 0.00 0.01 0.00 0.00 42.46 40.16 1dsx s ILE 37 CO 0.02 0.36 0.22 0.21 0.00 0.00 0.00 174.94 175.75 1dsx s ASN 38 N 1.32 5.72 -0.59 3.58 3.84 0.79 -0.28 114.94 129.32 1dsx s ASN 38 Ca 0.02 -1.13 -0.16 0.00 0.21 0.00 0.00 52.86 51.81 1dsx s ASN 38 Cb -0.15 -2.02 0.14 0.00 -0.55 0.00 0.00 41.25 38.68 1dsx s ASN 38 CO -0.08 -0.43 0.55 -0.63 -2.79 0.00 0.00 177.10 173.73 1dsx s ILE 39 N 1.53 5.26 -1.53 -5.21 -1.09 -0.14 -1.10 121.20 118.92 1dsx s ILE 39 Ca 0.02 -1.65 -0.14 0.00 -2.23 0.00 0.00 60.65 56.66 1dsx s ILE 39 Cb -0.20 -4.37 0.09 0.00 -1.58 0.00 0.00 42.46 36.40 1dsx s ILE 39 CO 0.06 -0.91 0.88 -1.20 -1.23 0.00 0.00 174.94 172.54 1dsx n SER 40 N 5.08 -4.55 0.00 3.58 7.64 -0.33 -1.29 113.62 123.75 1dsx n SER 40 Ca -0.09 -0.74 0.00 0.00 1.01 0.00 0.00 58.87 59.04 1dsx n SER 40 Cb 0.41 -3.66 0.00 0.00 -1.01 0.00 0.00 64.21 59.96 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 -1.58 3.19 3.55 0.23 0.00 -1.26 -5.05 105.19 104.27 1dsx n GLY 41 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 4.35 -0.19 0.99 2.96 -0.41 -5.04 118.68 121.34 1dsx s LEU 42 Ca 0.00 -0.07 -0.17 0.00 -0.22 0.00 0.00 54.13 53.67 1dsx s LEU 42 Cb 0.00 -2.78 -0.04 0.00 0.50 0.00 0.00 46.19 43.87 1dsx s LEU 42 CO 0.00 -0.70 0.43 -0.13 -1.32 0.00 0.00 176.35 174.63 1dsx s ARG 43 N 2.81 4.20 0.04 1.98 0.52 -1.26 -0.97 118.95 126.27 1dsx s ARG 43 Ca 0.24 0.27 0.03 0.00 -0.52 0.00 0.00 55.73 55.75 1dsx s ARG 43 Cb -0.14 -3.52 -0.04 0.00 0.52 0.00 0.00 34.95 31.77 1dsx s ARG 43 CO 0.17 -0.02 0.00 -0.06 0.02 0.00 0.00 175.30 175.41 1dsx s PHE 44 N 1.24 3.04 -0.13 -0.53 0.40 0.61 -4.97 117.98 117.64 1dsx s PHE 44 Ca 0.21 0.03 0.01 0.00 -0.60 0.00 0.00 56.93 56.58 1dsx s PHE 44 Cb -0.15 -1.62 0.02 0.00 0.51 0.00 0.00 43.02 41.79 1dsx s PHE 44 CO 0.08 0.47 -0.13 -1.21 0.70 0.00 0.00 175.22 175.13 1dsx s GLU 45 N -1.87 2.09 0.00 0.44 2.02 -1.26 -1.14 118.70 118.98 1dsx s GLU 45 Ca 0.22 -0.48 0.01 0.00 0.02 0.00 0.00 54.97 54.74 1dsx s GLU 45 Cb -0.12 -1.92 -0.01 0.00 0.10 0.00 0.00 34.13 32.19 1dsx s GLU 45 CO 0.14 -0.20 -0.03 0.54 0.02 0.00 0.00 175.26 175.72 1dsx s VAL 46 N 1.41 0.25 0.42 2.63 0.11 -0.80 -4.99 120.40 119.43 1dsx s VAL 46 Ca 0.02 -0.28 -0.26 0.00 -2.93 0.00 0.00 61.98 58.52 1dsx s VAL 46 Cb -0.13 -0.24 -0.09 0.00 -1.53 0.00 0.00 36.38 34.38 1dsx s VAL 46 CO -0.08 -0.03 1.42 -1.10 -3.33 0.00 0.00 175.10 171.99 1dsx s GLN 47 N -0.34 3.85 0.34 1.54 -0.21 -1.26 -1.02 119.66 122.56 1dsx s GLN 47 Ca -0.01 2.42 0.01 0.00 0.02 0.00 0.00 55.36 57.80 1dsx s GLN 47 Cb -0.03 -2.76 0.59 0.00 1.00 0.00 0.00 33.01 31.81 1dsx s GLN 47 CO -0.00 -0.68 1.99 1.25 -2.12 0.00 0.00 175.29 175.72 1dsx h LEU 48 N 2.58 0.75 -1.38 2.90 6.46 -1.20 -1.30 115.31 124.12 1dsx h LEU 48 Ca -0.51 -0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 57.20 1dsx h LEU 48 Cb 1.26 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.98 1dsx h LEU 48 CO 0.62 0.57 0.17 0.11 -0.62 0.00 0.00 178.44 179.29 1dsx h LYS 49 N 0.87 0.59 -0.63 1.25 1.57 -1.91 -1.01 116.57 117.31 1dsx h LYS 49 Ca 0.23 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.95 1dsx h LYS 49 Cb -0.06 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.11 1dsx h LYS 49 CO -0.05 0.49 0.41 1.15 -0.57 0.00 0.00 179.45 180.88 1dsx h THR 50 N 0.59 1.13 -0.19 -0.16 2.02 -1.61 -3.02 112.91 111.68 1dsx h THR 50 Ca 0.15 -0.28 -0.18 0.00 0.77 0.00 0.00 66.41 66.86 1dsx h THR 50 Cb 0.11 0.24 0.01 0.00 -1.74 0.00 0.00 68.15 66.77 1dsx h THR 50 CO -0.02 0.15 -0.59 -0.07 0.37 0.00 0.00 175.52 175.36 1dsx h LEU 51 N 0.82 0.85 -2.62 2.58 3.38 -1.36 -3.30 115.31 115.66 1dsx h LEU 51 Ca 0.24 -0.59 0.01 0.00 0.09 0.00 0.00 57.88 57.62 1dsx h LEU 51 Cb -0.06 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.45 1dsx h LEU 51 CO -0.07 1.29 0.04 0.00 0.09 0.00 0.00 178.44 179.80 1dsx h ALA 52 N 0.58 1.35 -0.13 1.53 0.00 -1.08 -2.83 119.26 118.68 1dsx h ALA 52 Ca -0.02 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1dsx h ALA 52 Cb 1.22 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1dsx h ALA 52 CO 0.13 -0.05 0.11 1.96 0.00 0.00 0.00 179.25 181.40 1dsx h GLN 53 N 0.00 0.00 -3.07 0.00 4.20 -1.62 -3.27 115.11 111.35 1dsx h GLN 53 Ca 0.01 0.00 -0.62 0.00 0.06 0.00 0.00 58.65 58.10 1dsx h GLN 53 Cb 0.10 0.00 -0.42 0.00 0.30 0.00 0.00 27.48 27.46 1dsx h GLN 53 CO -0.00 0.00 -0.59 -0.06 -0.67 0.00 0.00 178.83 177.51 1dsx s PHE 54 N -4.81 3.47 -0.68 2.96 0.40 -1.07 -4.97 117.98 113.28 1dsx s PHE 54 Ca -0.05 -3.30 0.21 0.00 -0.60 0.00 0.00 56.93 53.19 1dsx s PHE 54 Cb 0.16 -2.65 0.85 0.00 0.51 0.00 0.00 43.02 41.90 1dsx s PHE 54 CO 0.61 -0.56 1.63 -0.35 0.70 0.00 0.00 175.22 177.24 1dsx n PRO 55 N 2.04 0.12 0.00 0.24 -0.04 -1.24 -2.56 135.00 133.57 1dsx n PRO 55 Ca 0.19 0.35 0.13 0.00 -0.04 0.00 0.00 63.50 64.13 1dsx n PRO 55 Cb 0.35 -1.73 0.42 0.00 -0.04 0.00 0.00 33.50 32.50 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 -1.96 0.20 -2.41 0.54 1.02 -1.26 -3.58 120.64 113.18 1dsx n GLU 56 Ca 0.03 -0.09 -0.24 0.00 -0.02 0.00 0.00 57.16 56.84 1dsx n GLU 56 Cb 0.22 -1.50 0.08 0.00 -0.02 0.00 0.00 31.44 30.22 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 -2.86 2.32 0.07 2.62 -4.23 -1.06 -4.91 115.64 107.59 1dsx s THR 57 Ca 0.16 -0.45 -0.30 0.00 -1.18 0.00 0.00 61.69 59.92 1dsx s THR 57 Cb 0.18 -2.87 -0.18 0.00 1.34 0.00 0.00 72.50 70.98 1dsx s THR 57 CO 0.60 0.00 1.62 0.25 -0.54 0.00 0.00 174.62 176.55 1dsx h LEU 58 N -0.48 -0.54 -1.20 4.79 6.46 -1.55 -2.14 115.31 120.65 1dsx h LEU 58 Ca -0.41 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.31 1dsx h LEU 58 Cb 1.29 0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 41.35 1dsx h LEU 58 CO 0.50 -0.36 -0.18 -0.07 -0.62 0.00 0.00 178.44 177.71 1dsx h LEU 59 N -0.66 0.00 0.00 2.25 3.38 -1.91 -2.90 115.31 115.47 1dsx h LEU 59 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 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 0.11 0.18 -0.49 0.61 0.09 0.00 0.00 178.44 178.93 1dsx n GLY 60 N 0.11 -1.29 3.41 0.83 0.00 -1.14 -4.79 105.19 102.33 1dsx n GLY 60 Ca 0.00 -0.32 -0.37 0.00 0.00 0.00 0.00 46.02 45.33 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 -3.16 5.22 0.32 1.61 -1.08 -0.82 -4.33 116.67 114.44 1dsx s ASP 61 Ca 0.11 -0.43 0.08 0.00 -0.52 0.00 0.00 52.55 51.79 1dsx s ASP 61 Cb 0.17 -1.93 0.81 0.00 -1.46 0.00 0.00 42.92 40.51 1dsx s ASP 61 CO 0.69 -0.12 1.78 1.55 0.52 0.00 0.00 175.17 179.60 1dsx h PRO 62 N 8.26 0.67 -0.07 4.34 0.13 -1.86 -0.79 132.00 142.68 1dsx h PRO 62 Ca -0.35 -0.04 -0.13 0.00 -0.87 0.00 0.00 66.00 64.61 1dsx h PRO 62 Cb 1.15 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.12 1dsx h PRO 62 CO 0.60 0.44 -0.54 0.87 -0.23 0.00 0.00 178.00 179.14 1dsx h LYS 63 N 0.69 0.20 0.19 0.86 1.57 -1.94 -2.06 116.57 116.08 1dsx h LYS 63 Ca 0.57 -0.12 -0.29 0.00 -1.87 0.00 0.00 60.65 58.94 1dsx h LYS 63 Cb 0.98 0.01 0.02 0.00 0.08 0.00 0.00 32.23 33.33 1dsx h LYS 63 CO -0.35 0.69 -1.32 0.87 -0.57 0.00 0.00 179.45 178.77 1dsx h LYS 64 N 0.16 0.40 0.00 3.15 1.57 -1.46 -3.33 116.57 117.06 1dsx h LYS 64 Ca 0.00 -0.68 -0.03 0.00 -1.87 0.00 0.00 60.65 58.06 1dsx h LYS 64 Cb 1.00 0.25 -0.00 0.00 0.08 0.00 0.00 32.23 33.56 1dsx h LYS 64 CO 0.08 1.33 -0.17 0.07 -0.57 0.00 0.00 179.45 180.19 1dsx h ARG 65 N -0.09 0.00 0.00 3.15 0.11 -1.09 -2.64 114.38 113.82 1dsx h ARG 65 Ca -0.25 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.83 1dsx h ARG 65 Cb 1.94 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 33.02 1dsx h ARG 65 CO 0.19 0.17 -0.01 1.98 0.10 0.00 0.00 179.97 182.40 1dsx h MET 66 N 0.00 0.00 0.00 0.08 4.05 -1.48 -1.47 114.93 116.11 1dsx h MET 66 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1dsx h MET 66 Cb 0.70 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.50 1dsx h MET 66 CO 0.02 0.01 0.00 0.00 0.23 0.00 0.00 176.91 177.17 1dsx h ARG 67 N 0.00 0.00 -0.35 0.39 3.08 -1.63 -2.19 114.38 113.68 1dsx h ARG 67 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1dsx h ARG 67 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1dsx h ARG 67 CO 0.00 0.00 0.00 0.66 -1.07 0.00 0.00 179.97 179.56 1dsx n TYR 68 N -2.98 0.68 -2.88 3.04 4.02 -0.56 -5.00 117.16 113.48 1dsx n TYR 68 Ca 0.00 -0.62 -0.40 0.00 -0.01 0.00 0.00 57.90 56.88 1dsx n TYR 68 Cb 0.26 -0.12 -0.05 0.00 -0.02 0.00 0.00 39.34 39.41 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 -1.58 3.83 -0.37 -0.72 5.36 -0.83 -0.93 117.98 122.75 1dsx s PHE 69 Ca 0.31 1.66 -0.06 0.00 -0.96 0.00 0.00 56.93 57.88 1dsx s PHE 69 Cb 0.20 -2.89 0.06 0.00 -0.34 0.00 0.00 43.02 40.05 1dsx s PHE 69 CO 0.15 0.34 0.16 0.34 -1.46 0.00 0.00 175.22 174.74 1dsx s ASP 70 N -0.45 5.37 0.42 6.13 2.15 0.35 -4.92 116.67 125.71 1dsx s ASP 70 Ca 0.40 -1.38 0.29 0.00 0.43 0.00 0.00 52.55 52.29 1dsx s ASP 70 Cb -0.23 -1.88 1.17 0.00 -0.30 0.00 0.00 42.92 41.68 1dsx s ASP 70 CO 0.27 -0.41 1.86 1.55 -0.17 0.00 0.00 175.17 178.26 1dsx h PRO 71 N 8.23 0.00 -0.14 4.34 0.13 -1.96 0.39 132.00 142.99 1dsx h PRO 71 Ca -0.21 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.82 1dsx h PRO 71 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1dsx h PRO 71 CO 0.66 0.00 -0.27 -0.07 -0.23 0.00 0.00 178.00 178.09 1dsx h LEU 72 N 0.00 0.48 -1.48 1.56 3.38 -1.95 -3.34 115.31 113.96 1dsx h LEU 72 Ca 0.00 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.42 1dsx h LEU 72 Cb 0.47 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1dsx h LEU 72 CO 0.00 0.94 -0.10 0.54 0.09 0.00 0.00 178.44 179.91 1dsx n ARG 73 N -4.43 1.56 -3.47 1.13 1.74 -1.17 -5.00 116.66 107.03 1dsx n ARG 73 Ca -0.07 -1.38 -0.20 0.00 -0.77 0.00 0.00 57.85 55.43 1dsx n ARG 73 Cb 0.45 -1.34 0.06 0.00 -1.02 0.00 0.00 32.46 30.61 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 0.71 -4.35 -3.82 0.55 4.05 0.11 -5.00 115.26 107.51 1dsx n ASN 74 Ca 0.10 -0.78 -0.09 0.00 0.45 0.00 0.00 54.58 54.26 1dsx n ASN 74 Cb 0.43 -4.57 -0.04 0.00 1.23 0.00 0.00 39.78 36.83 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 -5.23 1.48 -0.09 1.20 -1.05 -1.11 -4.65 118.70 109.25 1dsx s GLU 75 Ca 0.28 -0.98 -0.12 0.00 -0.15 0.00 0.00 54.97 54.00 1dsx s GLU 75 Cb -0.06 0.52 -0.05 0.00 -0.44 0.00 0.00 34.13 34.10 1dsx s GLU 75 CO 0.78 -0.63 0.28 0.71 0.95 0.00 0.00 175.26 177.35 1dsx s TYR 76 N -3.92 3.61 -0.09 4.83 1.51 -0.18 -0.50 117.35 122.61 1dsx s TYR 76 Ca 0.13 0.72 0.03 0.00 -1.01 0.00 0.00 57.07 56.94 1dsx s TYR 76 Cb -0.02 -2.18 0.00 0.00 -0.11 0.00 0.00 41.96 39.66 1dsx s TYR 76 CO 0.01 0.57 -0.20 0.12 -1.11 0.00 0.00 175.55 174.94 1dsx s PHE 77 N -0.65 2.19 -0.12 2.71 5.36 -0.10 -0.15 117.98 127.22 1dsx s PHE 77 Ca 0.19 -0.88 0.03 0.00 -0.96 0.00 0.00 56.93 55.30 1dsx s PHE 77 Cb -0.14 -1.49 0.01 0.00 -0.34 0.00 0.00 43.02 41.05 1dsx s PHE 77 CO 0.07 -0.38 -0.21 -0.06 -1.46 0.00 0.00 175.22 173.19 1dsx s PHE 78 N 0.47 2.42 -1.46 10.12 0.40 -0.25 -4.81 117.98 124.87 1dsx s PHE 78 Ca -0.17 -1.12 -0.08 0.00 -0.60 0.00 0.00 56.93 54.96 1dsx s PHE 78 Cb -0.17 -1.66 0.03 0.00 0.51 0.00 0.00 43.02 41.73 1dsx s PHE 78 CO 0.07 -0.51 2.58 -0.25 0.70 0.00 0.00 175.22 177.82 1dsx n ASP 79 N 3.91 7.90 -3.98 1.36 8.00 -1.26 -1.19 116.55 131.29 1dsx n ASP 79 Ca -0.20 -2.88 -0.26 0.00 0.71 0.00 0.00 54.79 52.16 1dsx n ASP 79 Cb 0.52 -1.47 -0.07 0.00 -0.02 0.00 0.00 41.12 40.07 1dsx n ASP 79 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1dsx n ARG 80 N 2.91 0.57 -1.91 -1.24 1.74 -1.26 -4.98 116.66 112.49 1dsx n ARG 80 Ca 0.67 -3.60 -0.42 0.00 -0.77 0.00 0.00 57.85 53.73 1dsx n ARG 80 Cb 0.26 1.95 -0.03 0.00 -1.02 0.00 0.00 32.46 33.61 1dsx n ARG 80 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1dsx s ASN 81 N -3.61 6.58 -0.03 0.55 3.84 -1.26 -4.41 114.94 116.59 1dsx s ASN 81 Ca 0.21 2.58 -0.25 0.00 0.21 0.00 0.00 52.86 55.61 1dsx s ASN 81 Cb 0.01 -2.58 -0.21 0.00 -0.55 0.00 0.00 41.25 37.92 1dsx s ASN 81 CO 0.15 -0.87 1.16 0.03 -2.79 0.00 0.00 177.10 174.78 1dsx h ARG 82 N 7.56 0.12 0.00 0.43 3.08 -1.97 -3.28 114.38 120.33 1dsx h ARG 82 Ca -0.43 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 59.52 1dsx h ARG 82 Cb 1.20 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.27 1dsx h ARG 82 CO 0.92 0.72 -0.02 -1.35 -1.07 0.00 0.00 179.97 179.17 1dsx h PRO 83 N -0.45 0.00 0.00 0.04 0.11 -1.98 -1.82 132.00 127.90 1dsx h PRO 83 Ca -0.00 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.00 1dsx h PRO 83 Cb 0.74 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.83 1dsx h PRO 83 CO 0.02 0.02 -0.50 0.77 -0.21 0.00 0.00 178.00 178.11 1dsx h SER 84 N 0.00 0.00 0.67 -2.05 0.02 -1.98 -3.33 113.55 106.88 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 0.05 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 1dsx h SER 84 CO 0.00 0.50 -0.41 0.15 -1.14 0.00 0.00 176.83 175.93 1dsx h PHE 85 N 0.00 0.00 -0.81 3.45 3.57 -1.42 -2.67 116.94 119.06 1dsx h PHE 85 Ca -0.00 0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.63 1dsx h PHE 85 Cb 0.93 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 39.58 1dsx h PHE 85 CO 0.00 0.41 0.40 -0.44 -2.23 0.00 0.00 178.31 176.45 1dsx h ASP 86 N 0.00 0.48 -0.25 0.41 3.32 -1.73 0.64 116.42 119.28 1dsx h ASP 86 Ca -0.00 0.09 -0.19 0.00 0.02 0.00 0.00 57.03 56.94 1dsx h ASP 86 Cb 0.86 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.43 1dsx h ASP 86 CO 0.05 0.21 -0.58 0.00 -1.72 0.00 0.00 179.24 177.20 1dsx h ALA 87 N 1.54 0.45 -0.14 3.45 0.00 -1.71 -0.51 119.26 122.33 1dsx h ALA 87 Ca 0.44 -0.53 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1dsx h ALA 87 Cb 0.60 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1dsx h ALA 87 CO -0.35 0.68 0.08 0.82 0.00 0.00 0.00 179.25 180.48 1dsx h ILE 88 N 0.64 1.08 -0.77 0.00 1.08 -1.12 -1.78 117.51 116.65 1dsx h ILE 88 Ca 0.00 -0.22 -0.04 0.00 -0.39 0.00 0.00 64.86 64.21 1dsx h ILE 88 Cb 1.19 0.98 -0.03 0.00 -3.07 0.00 0.00 36.82 35.89 1dsx h ILE 88 CO 0.13 0.08 0.32 0.25 -0.69 0.00 0.00 178.15 178.24 1dsx h LEU 89 N 0.14 1.05 -1.62 1.44 5.85 -0.87 -2.79 115.31 118.52 1dsx h LEU 89 Ca 0.05 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 1dsx h LEU 89 Cb 0.05 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 1dsx h LEU 89 CO -0.01 0.93 -0.21 0.22 -0.34 0.00 0.00 178.44 179.03 1dsx h TYR 90 N 1.11 0.00 -0.78 1.25 3.20 -0.83 -1.37 116.97 119.55 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 0.19 0.00 -0.07 0.00 1.54 0.00 0.00 36.73 38.39 1dsx h TYR 90 CO 0.02 0.21 0.44 -0.92 -1.64 0.00 0.00 178.16 176.26 1dsx h TYR 91 N 0.00 0.79 -0.04 -3.82 3.20 -1.04 -0.40 116.97 115.66 1dsx h TYR 91 Ca -0.00 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 1dsx h TYR 91 Cb 0.39 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.43 1dsx h TYR 91 CO 0.00 0.33 -0.11 1.88 -1.64 0.00 0.00 178.16 178.61 1dsx h TYR 92 N 0.74 0.19 -0.88 -3.82 -1.99 -1.35 0.11 116.97 109.98 1dsx h TYR 92 Ca 0.37 -0.08 0.07 0.00 2.00 0.00 0.00 58.73 61.10 1dsx h TYR 92 Cb 0.33 -0.03 -0.06 0.00 2.00 0.00 0.00 36.73 38.97 1dsx h TYR 92 CO -0.07 0.72 0.57 1.96 -0.00 0.00 0.00 178.16 181.34 1dsx h GLN 93 N -0.39 0.95 -0.00 4.88 4.20 -0.86 -1.74 115.11 122.15 1dsx h GLN 93 Ca -0.00 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1dsx h GLN 93 Cb 0.72 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.29 1dsx h GLN 93 CO 0.02 0.63 -0.19 -1.13 -0.67 0.00 0.00 178.83 177.50 1dsx n SER 94 N -4.49 0.29 0.00 1.46 3.41 -0.20 -4.93 113.62 109.16 1dsx n SER 94 Ca 0.13 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 1dsx n SER 94 Cb 0.21 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 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 1.44 0.56 0.00 5.00 0.00 -0.65 -4.45 105.19 107.08 1dsx n GLY 95 Ca 0.09 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.83 0.89 3.57 -0.02 0.00 0.37 -5.04 105.19 103.13 1dsx n GLY 96 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 3.64 -0.31 1.61 0.52 -1.25 -5.01 118.95 118.15 1dsx s ARG 97 Ca 0.00 0.14 -0.08 0.00 -0.52 0.00 0.00 55.73 55.27 1dsx s ARG 97 Cb 0.00 -3.84 0.01 0.00 0.52 0.00 0.00 34.95 31.64 1dsx s ARG 97 CO 0.00 -0.89 0.12 -1.17 0.02 0.00 0.00 175.30 173.38 1dsx s LEU 98 N 3.05 4.06 -0.01 2.53 2.96 -1.26 -3.56 118.68 126.44 1dsx s LEU 98 Ca 0.29 -0.73 0.03 0.00 -0.22 0.00 0.00 54.13 53.50 1dsx s LEU 98 Cb -0.13 -1.93 -0.01 0.00 0.50 0.00 0.00 46.19 44.63 1dsx s LEU 98 CO 0.18 -0.23 -0.11 -0.13 -1.32 0.00 0.00 176.35 174.74 1dsx s ARG 99 N 1.53 0.95 -0.06 1.98 1.81 -1.26 -5.11 118.95 118.78 1dsx s ARG 99 Ca 0.03 -0.38 -0.25 0.00 -1.72 0.00 0.00 55.73 53.40 1dsx s ARG 99 Cb -0.18 -0.91 -0.03 0.00 -0.45 0.00 0.00 34.95 33.38 1dsx s ARG 99 CO 0.04 0.21 0.78 0.50 -0.68 0.00 0.00 175.30 176.14 1dsx s ARG 100 N -0.14 4.45 0.27 3.54 3.52 -1.26 -4.79 118.95 124.54 1dsx s ARG 100 Ca 0.02 1.01 -0.30 0.00 -0.13 0.00 0.00 55.73 56.33 1dsx s ARG 100 Cb -0.06 -3.46 -0.11 0.00 -1.56 0.00 0.00 34.95 29.76 1dsx s ARG 100 CO -0.00 -0.00 1.54 -2.14 -0.81 0.00 0.00 175.30 173.89 1dsx s PRO 101 N 0.99 4.18 0.40 5.12 0.02 -1.26 -4.88 135.00 139.57 1dsx s PRO 101 Ca 0.41 2.48 0.14 0.00 0.02 0.00 0.00 61.00 64.04 1dsx s PRO 101 Cb -0.18 -3.06 0.98 0.00 0.02 0.00 0.00 34.50 32.26 1dsx s PRO 101 CO 0.20 -0.56 1.90 0.28 -0.33 0.00 0.00 177.00 178.48 1dsx h VAL 102 N 3.48 0.79 0.00 3.83 2.07 -1.99 -1.40 116.25 123.03 1dsx h VAL 102 Ca -0.46 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1dsx h VAL 102 Cb 1.22 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1dsx h VAL 102 CO 0.80 0.09 0.00 -3.20 0.02 0.00 0.00 177.57 175.28 1dsx n ASN 103 N -4.51 0.00 -4.25 0.57 4.05 -1.26 -4.69 115.26 105.17 1dsx n ASN 103 Ca 0.16 -0.92 -0.34 0.00 0.45 0.00 0.00 54.58 53.93 1dsx n ASN 103 Cb 0.53 -0.02 -0.15 0.00 1.23 0.00 0.00 39.78 41.37 1dsx n ASN 103 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1dsx s VAL 104 N -2.04 2.83 0.66 3.44 1.01 -0.53 -5.08 120.40 120.69 1dsx s VAL 104 Ca 0.46 -0.69 -0.17 0.00 0.00 0.00 0.00 61.98 61.58 1dsx s VAL 104 Cb 0.22 -2.24 -0.01 0.00 0.00 0.00 0.00 36.38 34.34 1dsx s VAL 104 CO 0.37 0.48 1.16 -2.65 0.00 0.00 0.00 175.10 174.47 1dsx n PRO 105 N 4.52 0.92 -0.34 2.72 -0.02 -1.26 -4.68 135.00 136.86 1dsx n PRO 105 Ca -0.19 0.37 -0.01 0.00 -2.02 0.00 0.00 63.50 61.65 1dsx n PRO 105 Cb 0.51 -2.40 0.12 0.00 -0.02 0.00 0.00 33.50 31.71 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 0.32 1.02 -0.72 2.45 5.85 -1.96 -0.39 115.31 121.88 1dsx h LEU 106 Ca -0.50 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.13 1dsx h LEU 106 Cb 1.34 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 1dsx h LEU 106 CO 0.51 0.71 0.05 -2.24 -0.34 0.00 0.00 178.44 177.13 1dsx h ASP 107 N 1.19 1.00 -0.14 1.25 2.03 -1.99 0.10 116.42 119.85 1dsx h ASP 107 Ca 0.37 -0.25 -0.03 0.00 -0.73 0.00 0.00 57.03 56.38 1dsx h ASP 107 Cb -0.02 -0.27 -0.00 0.00 -0.83 0.00 0.00 39.33 38.21 1dsx h ASP 107 CO -0.11 1.02 -0.04 0.40 -1.03 0.00 0.00 179.24 179.48 1dsx h ILE 108 N 0.96 1.29 -0.80 4.15 2.04 -1.82 -2.45 117.51 120.88 1dsx h ILE 108 Ca 0.18 -1.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.00 1dsx h ILE 108 Cb 0.48 1.66 -0.04 0.00 -0.74 0.00 0.00 36.82 38.19 1dsx h ILE 108 CO 0.02 0.29 0.36 0.15 0.00 0.00 0.00 178.15 178.97 1dsx h PHE 109 N -0.03 1.17 -0.34 1.37 3.57 -0.92 -2.13 116.94 119.63 1dsx h PHE 109 Ca 0.04 -0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 1dsx h PHE 109 Cb 0.47 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 1dsx h PHE 109 CO 0.05 0.86 0.13 0.77 -2.23 0.00 0.00 178.31 177.90 1dsx h SER 110 N 1.15 0.43 -0.41 0.41 0.02 -0.87 -0.35 113.55 113.93 1dsx h SER 110 Ca 0.27 -0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 61.06 1dsx h SER 110 Cb 0.16 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 1dsx h SER 110 CO -0.03 0.40 -0.19 -0.08 -1.14 0.00 0.00 176.83 175.80 1dsx h GLU 111 N 0.48 0.90 -0.49 3.45 4.57 -0.93 -2.14 114.58 120.41 1dsx h GLU 111 Ca 0.12 -0.36 -0.07 0.00 -1.18 0.00 0.00 59.36 57.87 1dsx h GLU 111 Cb 0.11 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.64 1dsx h GLU 111 CO -0.01 1.00 0.03 0.93 -1.18 0.00 0.00 179.01 179.79 1dsx h GLU 112 N 0.79 0.84 -0.57 1.92 4.39 -0.67 -1.31 114.58 119.98 1dsx h GLU 112 Ca 0.11 -0.25 0.08 0.00 0.34 0.00 0.00 59.36 59.64 1dsx h GLU 112 Cb 0.73 -0.09 -0.06 0.00 -0.10 0.00 0.00 28.75 29.23 1dsx h GLU 112 CO 0.06 0.87 0.23 0.82 -1.16 0.00 0.00 179.01 179.83 1dsx h ILE 113 N 0.71 0.84 -0.68 3.13 2.04 -0.88 -1.07 117.51 121.58 1dsx h ILE 113 Ca 0.14 -0.15 -0.05 0.00 1.00 0.00 0.00 64.86 65.80 1dsx h ILE 113 Cb 0.46 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 1dsx h ILE 113 CO 0.02 0.08 0.24 0.03 0.00 0.00 0.00 178.15 178.51 1dsx h ARG 114 N 0.43 1.05 -0.63 2.37 3.08 -1.19 -2.31 114.38 117.19 1dsx h ARG 114 Ca 0.27 -0.21 0.01 0.00 0.07 0.00 0.00 59.98 60.12 1dsx h ARG 114 Cb 0.29 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 1dsx h ARG 114 CO -0.25 0.89 0.42 0.35 -1.07 0.00 0.00 179.97 180.31 1dsx h PHE 115 N 0.99 0.79 0.00 3.04 3.57 -0.32 -1.92 116.94 123.09 1dsx h PHE 115 Ca 0.22 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.74 1dsx h PHE 115 Cb 0.27 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.74 1dsx h PHE 115 CO 0.02 0.50 0.00 0.66 -2.23 0.00 0.00 178.31 177.26 1dsx n TYR 116 N -4.65 0.00 -3.72 0.41 4.02 -0.49 -4.84 117.16 107.89 1dsx n TYR 116 Ca 0.05 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.70 1dsx n TYR 116 Cb 0.02 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.36 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 -0.96 -3.77 0.01 -0.72 1.02 -0.72 -1.76 120.64 113.74 1dsx n GLU 117 Ca 0.22 0.56 -0.10 0.00 -0.02 0.00 0.00 57.16 57.82 1dsx n GLU 117 Cb 0.10 -4.90 -0.14 0.00 -0.02 0.00 0.00 31.44 26.49 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 -1.82 0.09 0.00 -4.62 3.38 -1.76 -3.38 115.31 107.21 1dsx h LEU 118 Ca -0.62 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.19 1dsx h LEU 118 Cb 1.36 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.08 1dsx h LEU 118 CO 0.55 1.13 0.00 0.61 0.09 0.00 0.00 178.44 180.83