#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dcr s GLN 2 N 0.00 2.92 -0.20 0.54 0.74 -1.26 -5.10 119.66 117.29 3dcr s GLN 2 Ca 0.00 -0.87 0.00 0.00 0.05 0.00 0.00 55.36 54.54 3dcr s GLN 2 Cb 0.00 -2.29 0.02 0.00 1.10 0.00 0.00 33.01 31.85 3dcr s GLN 2 CO 0.00 0.25 -0.16 0.42 -0.55 0.00 0.00 175.29 175.25 3dcr s ILE 3 N 0.17 2.32 0.80 -2.34 1.01 -1.26 -5.12 121.20 116.77 3dcr s ILE 3 Ca -0.13 -0.96 -0.11 0.00 0.00 0.00 0.00 60.65 59.44 3dcr s ILE 3 Cb -0.16 -2.05 0.09 0.00 0.01 0.00 0.00 42.46 40.34 3dcr s ILE 3 CO 0.07 0.43 1.15 0.42 0.00 0.00 0.00 174.94 177.02 3dcr s THR 4 N 1.30 2.06 -0.13 2.92 -4.23 -1.26 -5.03 115.64 111.28 3dcr s THR 4 Ca 0.03 -0.07 0.18 0.00 -1.18 0.00 0.00 61.69 60.66 3dcr s THR 4 Cb -0.14 -3.00 0.29 0.00 1.34 0.00 0.00 72.50 70.99 3dcr s THR 4 CO -0.10 0.00 1.15 0.18 -0.54 0.00 0.00 174.62 175.31 3dcr n LEU 5 N -3.26 2.38 -0.10 4.79 4.77 -1.26 -4.63 117.00 119.69 3dcr n LEU 5 Ca 0.09 -3.04 -0.01 0.00 -0.03 0.00 0.00 56.01 53.01 3dcr n LEU 5 Cb 0.61 -0.42 0.25 0.00 -2.33 0.00 0.00 43.42 41.53 3dcr n LEU 5 CO 0.55 0.70 1.03 -0.50 -1.33 0.00 0.00 177.39 177.84 3dcr h TRP 6 N 0.06 0.76 -2.14 -1.77 4.06 -2.07 -3.43 115.95 111.42 3dcr h TRP 6 Ca 0.00 -0.05 -0.57 0.00 2.06 0.00 0.00 58.89 60.33 3dcr h TRP 6 Cb 0.99 -0.23 -0.13 0.00 -1.00 0.00 0.00 29.16 28.79 3dcr h TRP 6 CO 0.01 0.61 -0.64 -1.59 -3.56 0.00 0.00 178.44 173.27 3dcr s LYS 7 N -5.29 1.78 0.19 0.49 -2.85 -1.26 -5.10 119.74 107.70 3dcr s LYS 7 Ca -0.09 -1.96 -0.33 0.00 -1.00 0.00 0.00 55.97 52.59 3dcr s LYS 7 Cb 0.16 -1.43 -0.14 0.00 -2.06 0.00 0.00 37.83 34.36 3dcr s LYS 7 CO 0.78 0.00 1.43 0.54 0.10 0.00 0.00 175.35 178.20 3dcr n ARG 8 N -0.79 1.89 -2.37 1.78 1.74 -1.26 -4.84 116.66 112.80 3dcr n ARG 8 Ca -0.05 0.68 -0.42 0.00 -0.77 0.00 0.00 57.85 57.29 3dcr n ARG 8 Cb 0.65 -2.35 -0.00 0.00 -1.02 0.00 0.00 32.46 29.74 3dcr n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3dcr n PRO 9 N 2.47 3.07 -3.48 5.56 -0.04 -1.26 -4.94 135.00 136.38 3dcr n PRO 9 Ca 0.14 -3.10 -0.37 0.00 -0.04 0.00 0.00 63.50 60.13 3dcr n PRO 9 Cb 0.29 -3.46 -0.07 0.00 -0.04 0.00 0.00 33.50 30.22 3dcr n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3dcr s LEU 10 N 3.96 4.30 0.20 1.53 1.43 -1.26 -1.25 118.68 127.58 3dcr s LEU 10 Ca 0.53 0.67 0.01 0.00 -1.03 0.00 0.00 54.13 54.31 3dcr s LEU 10 Cb 0.06 -2.49 -0.05 0.00 0.03 0.00 0.00 46.19 43.75 3dcr s LEU 10 CO 0.05 0.12 0.06 0.68 0.23 0.00 0.00 176.35 177.48 3dcr s VAL 11 N 0.18 0.50 0.00 -1.59 -7.23 -0.04 -4.92 120.40 107.31 3dcr s VAL 11 Ca 0.20 -1.98 -0.23 0.00 -1.81 0.00 0.00 61.98 58.16 3dcr s VAL 11 Cb -0.14 -2.34 -0.05 0.00 0.56 0.00 0.00 36.38 34.41 3dcr s VAL 11 CO 0.07 -0.26 0.71 -0.89 -0.31 0.00 0.00 175.10 174.42 3dcr s THR 12 N -3.79 4.86 0.28 5.32 2.01 -1.26 -0.95 115.64 122.10 3dcr s THR 12 Ca 0.30 1.49 0.10 0.00 0.31 0.00 0.00 61.69 63.89 3dcr s THR 12 Cb 0.07 -4.05 -0.05 0.00 0.01 0.00 0.00 72.50 68.48 3dcr s THR 12 CO 0.08 0.35 -0.15 0.27 -0.69 0.00 0.00 174.62 174.48 3dcr s ILE 13 N 0.13 2.16 -0.14 1.82 -4.36 0.38 -4.58 121.20 116.61 3dcr s ILE 13 Ca 0.36 -2.29 0.01 0.00 -0.26 0.00 0.00 60.65 58.48 3dcr s ILE 13 Cb -0.19 -2.33 0.02 0.00 1.25 0.00 0.00 42.46 41.21 3dcr s ILE 13 CO 0.20 -0.39 -0.17 -0.60 0.24 0.00 0.00 174.94 174.22 3dcr s ARG 14 N -3.59 2.56 -0.12 0.37 3.52 0.28 -1.27 118.95 120.70 3dcr s ARG 14 Ca 0.29 -0.67 -0.08 0.00 -0.13 0.00 0.00 55.73 55.14 3dcr s ARG 14 Cb -0.02 -2.20 0.04 0.00 -1.56 0.00 0.00 34.95 31.22 3dcr s ARG 14 CO 0.13 -0.13 0.30 -1.50 -0.81 0.00 0.00 175.30 173.29 3dcr s ILE 15 N 1.15 -0.02 -1.33 4.11 2.07 -0.37 -1.26 121.20 125.54 3dcr s ILE 15 Ca -0.01 0.09 -0.06 0.00 -1.41 0.00 0.00 60.65 59.26 3dcr s ILE 15 Cb -0.14 -0.44 0.03 0.00 0.13 0.00 0.00 42.46 42.04 3dcr s ILE 15 CO -0.06 0.04 0.40 0.61 -1.91 0.00 0.00 174.94 174.01 3dcr n GLY 16 N 3.83 -0.50 1.46 1.50 0.00 -1.26 -0.87 105.19 109.35 3dcr n GLY 16 Ca -0.21 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3dcr n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dcr n GLY 17 N -1.19 1.62 3.60 -0.02 0.00 -1.26 -5.05 105.19 102.89 3dcr n GLY 17 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 3dcr n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dcr s GLN 18 N -0.53 2.66 -0.06 1.61 -0.21 -0.05 -5.09 119.66 117.99 3dcr s GLN 18 Ca 0.00 -0.63 -0.22 0.00 0.02 0.00 0.00 55.36 54.53 3dcr s GLN 18 Cb 0.00 -2.56 -0.04 0.00 1.00 0.00 0.00 33.01 31.41 3dcr s GLN 18 CO 0.00 0.63 0.63 -0.51 -2.12 0.00 0.00 175.29 173.92 3dcr s LEU 19 N -1.15 4.34 0.09 2.90 1.43 -1.26 -1.24 118.68 123.78 3dcr s LEU 19 Ca 0.15 1.12 0.01 0.00 -1.03 0.00 0.00 54.13 54.37 3dcr s LEU 19 Cb -0.11 -2.97 -0.04 0.00 0.03 0.00 0.00 46.19 43.10 3dcr s LEU 19 CO 0.05 -0.03 -0.04 -0.54 0.23 0.00 0.00 176.35 176.01 3dcr s LYS 20 N 0.49 0.78 -0.01 1.70 1.02 -0.40 -4.98 119.74 118.34 3dcr s LYS 20 Ca 0.34 -1.31 -0.14 0.00 0.02 0.00 0.00 55.97 54.87 3dcr s LYS 20 Cb -0.17 -0.05 -0.06 0.00 -0.52 0.00 0.00 37.83 37.03 3dcr s LYS 20 CO 0.16 -0.07 0.39 -1.21 -0.92 0.00 0.00 175.35 173.71 3dcr s GLU 21 N -3.88 3.90 0.04 1.68 0.41 -1.26 -0.47 118.70 119.12 3dcr s GLU 21 Ca 0.12 0.38 -0.06 0.00 -0.41 0.00 0.00 54.97 55.00 3dcr s GLU 21 Cb 0.06 -3.22 -0.01 0.00 -1.78 0.00 0.00 34.13 29.18 3dcr s GLU 21 CO -0.06 0.69 0.10 0.00 -0.49 0.00 0.00 175.26 175.51 3dcr s ALA 22 N -1.05 -0.08 -0.21 5.21 0.00 -0.13 -4.38 121.76 121.13 3dcr s ALA 22 Ca 0.23 -0.55 -0.16 0.00 0.00 0.00 0.00 51.96 51.48 3dcr s ALA 22 Cb -0.16 0.26 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 3dcr s ALA 22 CO 0.13 -0.33 0.42 -1.17 0.00 0.00 0.00 175.76 174.80 3dcr s LEU 23 N -2.17 4.14 -0.36 0.00 2.96 0.55 -0.86 118.68 122.95 3dcr s LEU 23 Ca -0.04 0.52 -0.29 0.00 -0.22 0.00 0.00 54.13 54.10 3dcr s LEU 23 Cb -0.01 -2.54 0.01 0.00 0.50 0.00 0.00 46.19 44.16 3dcr s LEU 23 CO -0.05 -0.10 1.25 -0.76 -1.32 0.00 0.00 176.35 175.36 3dcr s LEU 24 N 1.44 3.78 -0.37 -0.68 1.43 -0.38 -0.81 118.68 123.08 3dcr s LEU 24 Ca 0.19 0.94 0.02 0.00 -1.03 0.00 0.00 54.13 54.26 3dcr s LEU 24 Cb -0.15 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.64 3dcr s LEU 24 CO 0.08 -1.15 0.12 -0.62 0.23 0.00 0.00 176.35 175.01 3dcr s ASP 25 N 2.73 4.34 0.34 2.29 2.15 0.14 -4.79 116.67 123.87 3dcr s ASP 25 Ca 0.53 -2.20 0.26 0.00 0.43 0.00 0.00 52.55 51.57 3dcr s ASP 25 Cb -0.13 -1.33 1.17 0.00 -0.30 0.00 0.00 42.92 42.33 3dcr s ASP 25 CO 0.25 -0.35 1.79 0.71 -0.17 0.00 0.00 175.17 177.40 3dcr h THR 26 N 6.22 0.00 -0.09 1.71 1.35 -1.94 -1.99 112.91 118.18 3dcr h THR 26 Ca -0.07 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 3dcr h THR 26 Cb 0.99 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 3dcr h THR 26 CO 0.53 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.41 3dcr n GLY 27 N -0.33 -0.13 3.38 5.82 0.00 -1.26 -4.84 105.19 107.84 3dcr n GLY 27 Ca 0.01 -0.35 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 3dcr n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dcr s ALA 28 N -1.89 2.84 0.26 4.61 0.00 -0.75 -4.99 121.76 121.84 3dcr s ALA 28 Ca 0.34 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.30 3dcr s ALA 28 Cb 0.18 -1.57 0.34 0.00 0.00 0.00 0.00 23.12 22.06 3dcr s ALA 28 CO 0.28 -0.10 1.68 -0.44 0.00 0.00 0.00 175.76 177.18 3dcr h ASP 29 N 7.41 0.56 -2.33 0.00 3.32 -1.88 0.67 116.42 124.18 3dcr h ASP 29 Ca -0.35 -0.20 -0.57 0.00 0.02 0.00 0.00 57.03 55.93 3dcr h ASP 29 Cb 1.18 -0.15 -0.14 0.00 0.22 0.00 0.00 39.33 40.44 3dcr h ASP 29 CO 0.60 0.81 -0.65 -1.81 -1.72 0.00 0.00 179.24 176.47 3dcr s ASP 30 N -6.80 3.32 -0.19 6.45 1.01 -1.26 -2.57 116.67 116.63 3dcr s ASP 30 Ca -0.07 -1.25 -0.09 0.00 0.71 0.00 0.00 52.55 51.84 3dcr s ASP 30 Cb 0.13 -0.28 -0.05 0.00 1.01 0.00 0.00 42.92 43.74 3dcr s ASP 30 CO 0.80 -0.34 0.13 -0.89 0.21 0.00 0.00 175.17 175.08 3dcr s THR 31 N -2.83 5.38 -0.13 -1.27 2.01 -1.26 -3.26 115.64 114.28 3dcr s THR 31 Ca 0.33 0.17 -0.00 0.00 0.31 0.00 0.00 61.69 62.50 3dcr s THR 31 Cb 0.05 -3.43 0.03 0.00 0.01 0.00 0.00 72.50 69.16 3dcr s THR 31 CO 0.15 0.47 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.79 3dcr s VAL 32 N 0.14 1.07 0.07 3.82 1.01 -0.05 -0.90 120.40 125.55 3dcr s VAL 32 Ca 0.09 -0.41 0.06 0.00 0.00 0.00 0.00 61.98 61.71 3dcr s VAL 32 Cb -0.11 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 3dcr s VAL 32 CO -0.01 0.29 -0.08 -0.63 0.00 0.00 0.00 175.10 174.68 3dcr s ILE 33 N 1.68 3.55 0.69 2.22 -1.09 0.68 -0.53 121.20 128.39 3dcr s ILE 33 Ca 0.04 -1.07 -0.16 0.00 -2.23 0.00 0.00 60.65 57.23 3dcr s ILE 33 Cb -0.13 -2.63 0.02 0.00 -1.58 0.00 0.00 42.46 38.14 3dcr s ILE 33 CO -0.08 0.20 1.20 -0.70 -1.23 0.00 0.00 174.94 174.33 3dcr s GLU 34 N -1.97 2.42 0.70 2.79 -6.30 -1.26 -1.93 118.70 113.16 3dcr s GLU 34 Ca 0.21 1.73 -0.18 0.00 -2.50 0.00 0.00 54.97 54.24 3dcr s GLU 34 Cb -0.11 -1.87 -0.14 0.00 0.00 0.00 0.00 34.13 32.00 3dcr s GLU 34 CO 0.12 -1.61 -0.34 -1.91 0.02 0.00 0.00 175.26 171.54 3dcr n GLU 35 N -2.41 0.02 -3.17 4.30 4.07 -1.12 -4.68 120.64 117.65 3dcr n GLU 35 Ca 0.13 0.01 -0.21 0.00 -0.06 0.00 0.00 57.16 57.02 3dcr n GLU 35 Cb 0.50 -1.05 -0.04 0.00 -0.06 0.00 0.00 31.44 30.79 3dcr n GLU 35 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 3dcr n ASN 37 N 2.71 1.40 -4.77 4.31 4.05 -1.26 -5.04 115.26 116.67 3dcr n ASN 37 Ca 0.04 -3.06 -0.41 0.00 0.45 0.00 0.00 54.58 51.61 3dcr n ASN 37 Cb 0.51 -0.62 -0.02 0.00 1.23 0.00 0.00 39.78 40.87 3dcr n ASN 37 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3dcr s LEU 38 N -2.28 4.44 0.88 1.20 1.43 -1.26 -5.03 118.68 118.07 3dcr s LEU 38 Ca 0.40 2.63 -0.12 0.00 -1.03 0.00 0.00 54.13 56.01 3dcr s LEU 38 Cb 0.28 -3.64 0.12 0.00 0.03 0.00 0.00 46.19 42.98 3dcr s LEU 38 CO -0.09 -0.50 1.10 -2.16 0.23 0.00 0.00 176.35 174.93 3dcr s PRO 39 N -1.59 1.36 0.00 1.29 0.04 -1.26 -5.12 135.00 129.73 3dcr s PRO 39 Ca 0.49 0.61 0.00 0.00 0.04 0.00 0.00 61.00 62.14 3dcr s PRO 39 Cb -0.39 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.31 3dcr s PRO 39 CO 0.50 -2.11 0.00 0.41 0.04 0.00 0.00 177.00 175.84 3dcr n GLY 40 N -1.65 0.24 0.00 0.56 0.00 -1.26 -5.15 105.19 97.94 3dcr n GLY 40 Ca 0.07 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.64 3dcr n GLY 40 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 3dcr n TRP 42 N 0.00 0.00 -4.08 1.61 4.27 -1.26 -5.13 117.44 112.84 3dcr n TRP 42 Ca 0.00 0.00 -0.13 0.00 -3.89 0.00 0.00 57.50 53.48 3dcr n TRP 42 Cb 0.00 0.00 -0.11 0.00 -1.36 0.00 0.00 31.31 29.84 3dcr n TRP 42 CO 0.00 0.00 0.00 -1.59 -2.29 0.00 0.00 177.69 173.81 3dcr s LYS 43 N -2.00 0.59 0.38 -2.67 -2.85 -0.62 -4.91 119.74 107.66 3dcr s LYS 43 Ca 0.00 -0.85 -0.26 0.00 -1.00 0.00 0.00 55.97 53.86 3dcr s LYS 43 Cb 0.00 -0.31 -0.09 0.00 -2.06 0.00 0.00 37.83 35.37 3dcr s LYS 43 CO 0.00 0.05 1.18 -1.25 0.10 0.00 0.00 175.35 175.43 3dcr s PRO 44 N -1.91 4.17 0.00 1.78 0.04 -1.26 -0.11 135.00 137.71 3dcr s PRO 44 Ca -0.06 1.90 0.00 0.00 0.04 0.00 0.00 61.00 62.87 3dcr s PRO 44 Cb -0.08 -2.80 0.00 0.00 0.04 0.00 0.00 34.50 31.66 3dcr s PRO 44 CO -0.00 -0.24 0.00 1.17 0.04 0.00 0.00 177.00 177.97 3dcr n LYS 45 N 0.32 0.00 0.00 4.56 4.81 -0.60 -4.86 118.16 122.39 3dcr n LYS 45 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 3dcr n LYS 45 Cb 0.45 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.50 3dcr n LYS 45 CO 0.00 0.00 0.00 0.44 1.17 0.00 0.00 177.40 179.01 3dcr n ILE 47 N 0.00 0.00 -4.32 3.15 -5.35 -0.70 -0.95 119.36 111.19 3dcr n ILE 47 Ca 0.00 0.00 -0.17 0.00 -0.27 0.00 0.00 62.75 62.31 3dcr n ILE 47 Cb 0.00 0.00 -0.10 0.00 -1.74 0.00 0.00 39.64 37.80 3dcr n ILE 47 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3dcr s GLY 48 N 0.00 1.56 0.00 3.28 0.00 -1.26 -0.96 107.32 109.93 3dcr s GLY 48 Ca 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 44.72 42.95 3dcr s GLY 48 CO 0.00 -1.65 0.00 0.61 0.00 0.00 0.00 173.10 172.06 3dcr n GLY 49 N -0.41 1.36 3.72 0.20 0.00 -0.62 -4.99 105.19 104.45 3dcr n GLY 49 Ca -0.05 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 3dcr n GLY 49 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3dcr n ILE 50 N 0.00 0.12 0.00 -0.61 5.41 -1.26 -1.48 119.36 121.54 3dcr n ILE 50 Ca 0.00 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.72 3dcr n ILE 50 Cb 0.00 -1.98 0.00 0.00 -0.71 0.00 0.00 39.64 36.95 3dcr n ILE 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3dcr n GLY 51 N 3.75 1.54 0.00 7.39 0.00 -1.26 -4.94 105.19 111.67 3dcr n GLY 51 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3dcr n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dcr n GLY 52 N -2.00 0.14 3.65 -0.02 0.00 -0.55 -5.06 105.19 101.35 3dcr n GLY 52 Ca 0.00 -2.02 -0.28 0.00 0.00 0.00 0.00 46.02 43.72 3dcr n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dcr s PHE 53 N 0.00 2.86 0.16 1.61 0.40 -1.26 -1.59 117.98 120.15 3dcr s PHE 53 Ca 0.00 -0.12 0.06 0.00 -0.60 0.00 0.00 56.93 56.27 3dcr s PHE 53 Cb 0.00 -1.42 -0.04 0.00 0.51 0.00 0.00 43.02 42.07 3dcr s PHE 53 CO 0.00 0.49 -0.13 0.96 0.70 0.00 0.00 175.22 177.25 3dcr s ILE 54 N -1.56 1.41 -0.00 0.64 -4.36 -0.13 -4.97 121.20 112.22 3dcr s ILE 54 Ca 0.26 -2.04 -0.21 0.00 -0.26 0.00 0.00 60.65 58.40 3dcr s ILE 54 Cb -0.10 -1.84 -0.05 0.00 1.25 0.00 0.00 42.46 41.71 3dcr s ILE 54 CO 0.18 -0.62 0.62 -0.54 0.24 0.00 0.00 174.94 174.82 3dcr s LYS 55 N -3.46 4.35 0.13 0.37 1.02 -1.26 -1.71 119.74 119.17 3dcr s LYS 55 Ca 0.17 0.78 0.01 0.00 0.02 0.00 0.00 55.97 56.95 3dcr s LYS 55 Cb -0.00 -3.35 -0.04 0.00 -0.52 0.00 0.00 37.83 33.91 3dcr s LYS 55 CO 0.03 0.33 -0.00 0.14 -0.92 0.00 0.00 175.35 174.93 3dcr s VAL 56 N -0.09 0.48 -0.24 3.17 -7.23 -0.13 -4.59 120.40 111.77 3dcr s VAL 56 Ca 0.32 -1.93 -0.09 0.00 -1.81 0.00 0.00 61.98 58.47 3dcr s VAL 56 Cb -0.18 -1.94 -0.04 0.00 0.56 0.00 0.00 36.38 34.78 3dcr s VAL 56 CO 0.18 -0.62 0.12 -0.13 -0.31 0.00 0.00 175.10 174.34 3dcr s ARG 57 N -3.93 3.95 -0.25 4.82 0.52 0.17 -1.56 118.95 122.66 3dcr s ARG 57 Ca 0.19 -0.34 -0.15 0.00 -0.52 0.00 0.00 55.73 54.91 3dcr s ARG 57 Cb 0.07 -3.44 -0.04 0.00 0.52 0.00 0.00 34.95 32.06 3dcr s ARG 57 CO -0.00 0.02 0.40 -1.14 0.02 0.00 0.00 175.30 174.60 3dcr s GLN 58 N 1.13 4.06 -0.12 3.54 0.74 0.85 -0.86 119.66 128.99 3dcr s GLN 58 Ca 0.06 0.11 -0.01 0.00 0.05 0.00 0.00 55.36 55.57 3dcr s GLN 58 Cb -0.14 -3.63 -0.02 0.00 1.10 0.00 0.00 33.01 30.32 3dcr s GLN 58 CO 0.04 -0.24 -0.07 0.71 -0.55 0.00 0.00 175.29 175.18 3dcr s TYR 59 N 1.95 2.94 0.19 1.67 1.51 -0.19 -1.58 117.35 123.83 3dcr s TYR 59 Ca 0.17 -0.30 0.05 0.00 -1.01 0.00 0.00 57.07 55.98 3dcr s TYR 59 Cb -0.16 -1.85 -0.04 0.00 -0.11 0.00 0.00 41.96 39.80 3dcr s TYR 59 CO 0.09 0.02 0.16 -0.51 -1.11 0.00 0.00 175.55 174.21 3dcr s ASP 60 N 0.02 5.57 -1.37 2.29 -0.00 -1.26 -1.16 116.67 120.76 3dcr s ASP 60 Ca -0.01 -0.15 -0.07 0.00 -0.00 0.00 0.00 52.55 52.32 3dcr s ASP 60 Cb -0.14 -1.46 0.03 0.00 -0.00 0.00 0.00 42.92 41.35 3dcr s ASP 60 CO 0.03 0.04 1.03 0.00 -0.00 0.00 0.00 175.17 176.27 3dcr n GLN 61 N -0.61 -6.64 -3.40 8.23 1.13 -1.11 -4.91 117.38 110.07 3dcr n GLN 61 Ca -0.08 0.74 -0.38 0.00 -1.94 0.00 0.00 57.00 55.34 3dcr n GLN 61 Cb 0.56 -5.68 -0.08 0.00 0.11 0.00 0.00 30.24 25.15 3dcr n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3dcr s ILE 62 N -3.37 5.19 0.15 5.09 -1.09 -0.32 -4.76 121.20 122.08 3dcr s ILE 62 Ca 0.41 0.64 -0.31 0.00 -2.23 0.00 0.00 60.65 59.16 3dcr s ILE 62 Cb -0.19 -3.71 -0.10 0.00 -1.58 0.00 0.00 42.46 36.88 3dcr s ILE 62 CO 0.77 0.22 1.60 -2.84 -1.23 0.00 0.00 174.94 173.45 3dcr s PRO 63 N 1.59 4.21 -0.11 2.79 0.02 -1.26 -1.86 135.00 140.38 3dcr s PRO 63 Ca 0.17 2.37 -0.01 0.00 0.02 0.00 0.00 61.00 63.55 3dcr s PRO 63 Cb -0.15 -3.26 0.03 0.00 0.02 0.00 0.00 34.50 31.14 3dcr s PRO 63 CO 0.08 -0.64 -0.04 0.08 -0.33 0.00 0.00 177.00 176.14 3dcr s VAL 64 N 1.50 0.81 -0.18 3.83 1.01 -0.26 -4.32 120.40 122.79 3dcr s VAL 64 Ca 0.71 -0.21 -0.12 0.00 0.00 0.00 0.00 61.98 62.36 3dcr s VAL 64 Cb -0.43 -0.91 -0.05 0.00 0.00 0.00 0.00 36.38 34.99 3dcr s VAL 64 CO 0.32 0.28 0.21 -0.70 0.00 0.00 0.00 175.10 175.20 3dcr s GLU 65 N 1.79 4.22 -0.22 2.72 2.12 -0.39 -1.08 118.70 127.86 3dcr s GLU 65 Ca 0.04 -0.08 0.11 0.00 0.36 0.00 0.00 54.97 55.40 3dcr s GLU 65 Cb -0.13 -3.43 0.43 0.00 0.26 0.00 0.00 34.13 31.27 3dcr s GLU 65 CO -0.07 0.26 1.26 -0.89 -0.54 0.00 0.00 175.26 175.28 3dcr n ILE 66 N 3.57 2.26 0.00 -3.70 5.41 -1.26 -0.56 119.36 125.09 3dcr n ILE 66 Ca -0.14 -3.13 0.00 0.00 1.00 0.00 0.00 62.75 60.48 3dcr n ILE 66 Cb 0.52 -0.25 0.00 0.00 -0.71 0.00 0.00 39.64 39.19 3dcr n ILE 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3dcr n GLY 68 N -1.13 0.00 3.58 7.39 0.00 -1.26 -4.73 105.19 109.04 3dcr n GLY 68 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 3dcr n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3dcr s HIS 69 N 0.00 3.23 0.24 1.61 4.02 -1.26 -5.06 115.29 118.07 3dcr s HIS 69 Ca 0.00 0.13 -0.30 0.00 1.02 0.00 0.00 55.06 55.91 3dcr s HIS 69 Cb 0.00 -2.46 -0.09 0.00 -1.02 0.00 0.00 32.58 29.01 3dcr s HIS 69 CO 0.00 -0.22 1.13 0.15 1.02 0.00 0.00 174.74 176.82 3dcr s LYS 70 N 1.84 4.59 0.13 1.40 1.02 -1.26 -4.41 119.74 123.05 3dcr s LYS 70 Ca 0.09 1.82 -0.00 0.00 0.02 0.00 0.00 55.97 57.90 3dcr s LYS 70 Cb -0.16 -3.21 -0.04 0.00 -0.52 0.00 0.00 37.83 33.90 3dcr s LYS 70 CO 0.11 0.11 0.03 0.00 -0.92 0.00 0.00 175.35 174.68 3dcr s ALA 71 N -0.77 0.94 -0.22 5.17 0.00 -0.24 -4.76 121.76 121.87 3dcr s ALA 71 Ca 0.47 -1.47 -0.11 0.00 0.00 0.00 0.00 51.96 50.85 3dcr s ALA 71 Cb -0.32 0.72 0.07 0.00 0.00 0.00 0.00 23.12 23.59 3dcr s ALA 71 CO 0.40 -0.43 0.51 -1.50 0.00 0.00 0.00 175.76 174.74 3dcr s ILE 72 N -3.94 -0.15 -0.56 0.00 2.07 -1.26 -1.10 121.20 116.26 3dcr s ILE 72 Ca 0.22 0.07 0.00 0.00 -1.41 0.00 0.00 60.65 59.53 3dcr s ILE 72 Cb 0.07 -0.76 0.00 0.00 0.13 0.00 0.00 42.46 41.90 3dcr s ILE 72 CO 0.01 0.03 0.00 0.61 -1.91 0.00 0.00 174.94 173.68 3dcr n GLY 73 N 4.49 -0.69 3.73 1.50 0.00 -0.77 -4.87 105.19 108.57 3dcr n GLY 73 Ca -0.20 -0.44 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 3dcr n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dcr s THR 74 N -3.61 4.71 -0.08 2.61 2.01 -1.26 -1.17 115.64 118.85 3dcr s THR 74 Ca 0.00 1.87 0.03 0.00 0.31 0.00 0.00 61.69 63.89 3dcr s THR 74 Cb 0.00 -4.23 0.01 0.00 0.01 0.00 0.00 72.50 68.29 3dcr s THR 74 CO 0.00 0.29 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.38 3dcr s VAL 75 N 0.28 1.37 -0.22 3.82 1.01 -0.31 -4.49 120.40 121.87 3dcr s VAL 75 Ca 0.44 -0.61 -0.10 0.00 0.00 0.00 0.00 61.98 61.72 3dcr s VAL 75 Cb -0.21 -1.23 -0.05 0.00 0.00 0.00 0.00 36.38 34.89 3dcr s VAL 75 CO 0.26 0.41 0.13 -0.76 0.00 0.00 0.00 175.10 175.14 3dcr s LEU 76 N 0.64 4.03 -0.17 3.92 1.43 -0.08 -1.03 118.68 127.43 3dcr s LEU 76 Ca -0.14 0.10 -0.02 0.00 -1.03 0.00 0.00 54.13 53.03 3dcr s LEU 76 Cb -0.16 -2.06 -0.02 0.00 0.03 0.00 0.00 46.19 43.98 3dcr s LEU 76 CO 0.04 0.10 -0.07 -0.69 0.23 0.00 0.00 176.35 175.96 3dcr s VAL 77 N 0.85 3.42 0.02 -1.59 1.01 -0.04 -0.23 120.40 123.85 3dcr s VAL 77 Ca 0.07 -0.51 -0.18 0.00 0.00 0.00 0.00 61.98 61.35 3dcr s VAL 77 Cb -0.13 -2.50 0.06 0.00 0.00 0.00 0.00 36.38 33.81 3dcr s VAL 77 CO 0.03 0.48 0.83 0.61 0.00 0.00 0.00 175.10 177.05 3dcr n GLY 78 N 3.95 0.46 3.55 4.51 0.00 -0.81 -0.66 105.19 116.20 3dcr n GLY 78 Ca -0.18 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.43 3dcr n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dcr s PRO 79 N -2.02 3.31 0.02 1.61 0.04 -1.26 -2.80 135.00 133.90 3dcr s PRO 79 Ca 0.19 -0.56 0.07 0.00 0.04 0.00 0.00 61.00 60.74 3dcr s PRO 79 Cb -0.01 -4.67 -0.02 0.00 0.04 0.00 0.00 34.50 29.84 3dcr s PRO 79 CO 0.01 -2.22 -0.20 -0.08 0.04 0.00 0.00 177.00 174.54 3dcr s THR 80 N 5.65 1.60 0.24 1.26 -1.32 -1.26 -5.04 115.64 116.78 3dcr s THR 80 Ca 0.41 -1.03 0.34 0.00 -1.21 0.00 0.00 61.69 60.19 3dcr s THR 80 Cb -0.05 -1.37 0.37 0.00 -1.51 0.00 0.00 72.50 69.94 3dcr s THR 80 CO 0.05 0.30 2.04 -0.65 -2.21 0.00 0.00 174.62 174.16 3dcr h PRO 81 N 5.22 0.00 -3.15 7.08 0.11 -2.00 -3.44 132.00 135.82 3dcr h PRO 81 Ca -0.41 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.53 3dcr h PRO 81 Cb 1.15 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 32.00 3dcr h PRO 81 CO 0.46 0.04 -0.45 0.08 -0.21 0.00 0.00 178.00 177.92 3dcr s VAL 82 N -3.81 -0.01 0.17 3.15 1.01 -1.26 -5.12 120.40 114.53 3dcr s VAL 82 Ca -0.00 0.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.70 3dcr s VAL 82 Cb 0.10 -0.34 -0.08 0.00 0.00 0.00 0.00 36.38 36.06 3dcr s VAL 82 CO 0.54 0.01 1.29 0.20 0.00 0.00 0.00 175.10 177.13 3dcr s ASN 83 N 0.32 6.94 -0.14 3.32 0.01 -1.26 -4.78 114.94 119.34 3dcr s ASN 83 Ca -0.02 2.31 0.01 0.00 -0.71 0.00 0.00 52.86 54.46 3dcr s ASN 83 Cb -0.03 -2.60 0.02 0.00 0.41 0.00 0.00 41.25 39.04 3dcr s ASN 83 CO -0.01 -0.51 -0.18 -0.63 -1.51 0.00 0.00 177.10 174.26 3dcr s ILE 84 N 0.33 1.78 -0.38 0.60 1.01 0.31 -0.33 121.20 124.52 3dcr s ILE 84 Ca 0.57 -0.79 -0.16 0.00 0.00 0.00 0.00 60.65 60.27 3dcr s ILE 84 Cb -0.35 -1.62 0.00 0.00 0.01 0.00 0.00 42.46 40.50 3dcr s ILE 84 CO 0.36 0.50 0.40 -0.63 0.00 0.00 0.00 174.94 175.57 3dcr s ILE 85 N 1.13 5.12 0.41 2.92 -1.09 0.01 -0.87 121.20 128.83 3dcr s ILE 85 Ca -0.01 -0.10 0.06 0.00 -2.23 0.00 0.00 60.65 58.37 3dcr s ILE 85 Cb -0.14 -3.92 0.07 0.00 -1.58 0.00 0.00 42.46 36.89 3dcr s ILE 85 CO -0.06 -0.24 0.57 0.61 -1.23 0.00 0.00 174.94 174.59 3dcr n GLY 86 N 5.01 1.86 0.27 6.18 0.00 -1.20 -0.68 105.19 116.62 3dcr n GLY 86 Ca -0.08 -2.18 0.11 0.00 0.00 0.00 0.00 46.02 43.87 3dcr n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3dcr h ARG 87 N 0.00 0.00 -0.28 1.61 3.08 -0.85 -1.03 114.38 116.91 3dcr h ARG 87 Ca -0.19 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.85 3dcr h ARG 87 Cb 0.87 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 3dcr h ARG 87 CO 0.27 0.08 0.16 -2.95 -1.07 0.00 0.00 179.97 176.45 3dcr h ASN 88 N 0.00 0.33 0.00 7.04 -1.07 -1.76 -2.03 115.58 118.10 3dcr h ASN 88 Ca -0.00 -0.02 -0.37 0.00 0.07 0.00 0.00 56.30 55.98 3dcr h ASN 88 Cb 0.18 -0.08 -0.07 0.00 -2.07 0.00 0.00 38.32 36.27 3dcr h ASN 88 CO 0.01 0.27 -2.39 0.18 0.07 0.00 0.00 177.43 175.56 3dcr n LEU 89 N -4.47 0.23 -0.26 6.14 4.77 -0.82 -4.35 117.00 118.24 3dcr n LEU 89 Ca 0.01 -0.01 0.03 0.00 -0.03 0.00 0.00 56.01 56.01 3dcr n LEU 89 Cb 0.09 0.39 0.26 0.00 -2.33 0.00 0.00 43.42 41.83 3dcr n LEU 89 CO 0.35 0.53 1.24 -0.07 -1.33 0.00 0.00 177.39 178.12 3dcr h LEU 90 N 0.00 0.86 -1.12 2.23 3.38 -1.01 -1.33 115.31 118.31 3dcr h LEU 90 Ca -0.55 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.36 3dcr h LEU 90 Cb 2.22 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 42.76 3dcr h LEU 90 CO 0.02 0.58 -0.01 0.71 0.09 0.00 0.00 178.44 179.83 3dcr h THR 91 N 0.99 1.22 0.00 0.22 1.35 -1.59 -2.72 112.91 112.37 3dcr h THR 91 Ca 0.34 -0.88 -0.05 0.00 -0.55 0.00 0.00 66.41 65.27 3dcr h THR 91 Cb 0.11 0.94 -0.01 0.00 -1.73 0.00 0.00 68.15 67.46 3dcr h THR 91 CO -0.11 0.30 -0.26 1.56 -0.25 0.00 0.00 175.52 176.76 3dcr h GLN 92 N 0.57 0.00 -0.49 4.72 4.20 -1.44 -2.35 115.11 120.32 3dcr h GLN 92 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 3dcr h GLN 92 Cb 0.38 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.16 3dcr h GLN 92 CO 0.01 0.26 0.00 0.44 -0.67 0.00 0.00 178.83 178.87 3dcr n ILE 93 N -3.53 0.64 -1.59 2.54 -5.35 -1.07 -4.94 119.36 106.05 3dcr n ILE 93 Ca -0.01 -0.78 -0.01 0.00 -0.27 0.00 0.00 62.75 61.69 3dcr n ILE 93 Cb 0.41 0.74 -0.01 0.00 -1.74 0.00 0.00 39.64 39.05 3dcr n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3dcr n GLY 94 N 1.52 -3.76 0.00 3.28 0.00 -0.89 -5.10 105.19 100.24 3dcr n GLY 94 Ca 0.21 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3dcr n GLY 94 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3dcr n THR 96 N 0.57 0.00 -3.59 2.61 -2.24 -1.26 -5.04 114.28 105.33 3dcr n THR 96 Ca -0.05 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.35 3dcr n THR 96 Cb 0.08 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.25 3dcr n THR 96 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3dcr s LEU 97 N 0.00 4.42 -0.03 3.22 1.43 -1.26 -5.10 118.68 121.37 3dcr s LEU 97 Ca 0.00 0.79 0.01 0.00 -1.03 0.00 0.00 54.13 53.90 3dcr s LEU 97 Cb 0.00 -2.45 0.02 0.00 0.03 0.00 0.00 46.19 43.79 3dcr s LEU 97 CO 0.00 0.31 -0.03 0.20 0.23 0.00 0.00 176.35 177.06 3dcr s ASN 98 N -0.83 0.58 0.00 2.29 -0.87 -1.26 -5.30 114.94 109.55 3dcr s ASN 98 Ca 0.21 -0.07 0.00 0.00 -1.57 0.00 0.00 52.86 51.43 3dcr s ASN 98 Cb -0.15 -0.24 0.00 0.00 -0.02 0.00 0.00 41.25 40.84 3dcr s ASN 98 CO 0.10 -0.04 0.00 2.22 -2.57 0.00 0.00 177.10 176.81