#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 3.64 -0.19 0.54 0.74 -1.26 -5.10 119.66 118.03 3dcr s GLN 2 Ca 0.00 -0.51 0.01 0.00 0.05 0.00 0.00 55.36 54.91 3dcr s GLN 2 Cb 0.00 -3.08 0.02 0.00 1.10 0.00 0.00 33.01 31.05 3dcr s GLN 2 CO 0.00 0.03 -0.18 0.42 -0.55 0.00 0.00 175.29 175.01 3dcr s ILE 3 N 0.95 2.16 0.80 -2.34 1.01 -1.26 -5.13 121.20 117.39 3dcr s ILE 3 Ca 0.01 -0.95 -0.08 0.00 0.00 0.00 0.00 60.65 59.63 3dcr s ILE 3 Cb -0.14 -1.93 0.12 0.00 0.01 0.00 0.00 42.46 40.52 3dcr s ILE 3 CO 0.02 0.50 1.12 0.42 0.00 0.00 0.00 174.94 176.99 3dcr s THR 4 N 1.29 2.14 -0.12 2.92 -4.23 -1.26 -5.04 115.64 111.34 3dcr s THR 4 Ca 0.04 -0.25 0.16 0.00 -1.18 0.00 0.00 61.69 60.45 3dcr s THR 4 Cb -0.14 -2.88 0.28 0.00 1.34 0.00 0.00 72.50 71.10 3dcr s THR 4 CO -0.12 0.00 1.14 0.18 -0.54 0.00 0.00 174.62 175.28 3dcr n LEU 5 N -3.19 2.06 0.19 4.79 4.77 -1.26 -4.59 117.00 119.78 3dcr n LEU 5 Ca 0.12 -2.92 0.03 0.00 -0.03 0.00 0.00 56.01 53.22 3dcr n LEU 5 Cb 0.60 -0.38 0.38 0.00 -2.33 0.00 0.00 43.42 41.70 3dcr n LEU 5 CO 0.48 0.75 0.74 -0.50 -1.33 0.00 0.00 177.39 177.53 3dcr h TRP 6 N 0.18 0.00 -2.04 -1.77 4.06 -2.07 -3.43 115.95 110.88 3dcr h TRP 6 Ca -0.01 0.00 -0.61 0.00 2.06 0.00 0.00 58.89 60.33 3dcr h TRP 6 Cb 1.08 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.10 3dcr h TRP 6 CO 0.13 0.35 -0.70 0.15 -3.56 0.00 0.00 178.44 174.82 3dcr s LYS 7 N -4.15 1.77 0.24 0.49 1.02 -1.26 -5.11 119.74 112.75 3dcr s LYS 7 Ca -0.03 -1.89 -0.31 0.00 0.02 0.00 0.00 55.97 53.76 3dcr s LYS 7 Cb 0.14 -1.68 -0.13 0.00 -0.52 0.00 0.00 37.83 35.64 3dcr s LYS 7 CO 0.71 0.18 1.53 0.54 -0.92 0.00 0.00 175.35 177.39 3dcr n ARG 8 N -0.74 2.36 -1.80 1.68 1.74 -1.26 -4.86 116.66 113.77 3dcr n ARG 8 Ca -0.05 0.84 -0.42 0.00 -0.77 0.00 0.00 57.85 57.45 3dcr n ARG 8 Cb 0.63 -2.58 -0.00 0.00 -1.02 0.00 0.00 32.46 29.49 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 2.45 2.80 -3.19 5.56 -0.04 -1.26 -4.93 135.00 136.38 3dcr n PRO 9 Ca 0.12 -2.64 -0.39 0.00 -0.04 0.00 0.00 63.50 60.55 3dcr n PRO 9 Cb 0.33 -3.30 -0.06 0.00 -0.04 0.00 0.00 33.50 30.44 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 2.47 4.52 0.11 1.53 1.43 -1.26 -1.17 118.68 126.30 3dcr s LEU 10 Ca 0.49 1.33 -0.00 0.00 -1.03 0.00 0.00 54.13 54.91 3dcr s LEU 10 Cb 0.13 -3.00 -0.04 0.00 0.03 0.00 0.00 46.19 43.31 3dcr s LEU 10 CO -0.05 0.22 0.00 0.68 0.23 0.00 0.00 176.35 177.43 3dcr s VAL 11 N -0.88 0.32 0.03 -1.59 -7.23 0.07 -4.97 120.40 106.15 3dcr s VAL 11 Ca 0.31 -1.90 -0.21 0.00 -1.81 0.00 0.00 61.98 58.37 3dcr s VAL 11 Cb -0.20 -1.86 -0.06 0.00 0.56 0.00 0.00 36.38 34.83 3dcr s VAL 11 CO 0.20 -0.68 0.62 -0.89 -0.31 0.00 0.00 175.10 174.05 3dcr s THR 12 N -3.88 4.82 0.24 5.32 2.01 -1.26 -1.02 115.64 121.87 3dcr s THR 12 Ca 0.17 1.31 0.11 0.00 0.31 0.00 0.00 61.69 63.60 3dcr s THR 12 Cb 0.07 -3.96 -0.05 0.00 0.01 0.00 0.00 72.50 68.57 3dcr s THR 12 CO -0.02 0.45 -0.21 0.27 -0.69 0.00 0.00 174.62 174.42 3dcr s ILE 13 N -0.42 2.37 -0.11 1.82 -4.36 0.46 -4.63 121.20 116.33 3dcr s ILE 13 Ca 0.32 -2.26 0.03 0.00 -0.26 0.00 0.00 60.65 58.48 3dcr s ILE 13 Cb -0.19 -2.21 -0.00 0.00 1.25 0.00 0.00 42.46 41.31 3dcr s ILE 13 CO 0.19 -0.32 -0.21 -0.60 0.24 0.00 0.00 174.94 174.25 3dcr s ARG 14 N -3.22 3.15 -0.12 0.37 3.52 -0.25 -1.23 118.95 121.16 3dcr s ARG 14 Ca 0.26 -0.82 -0.06 0.00 -0.13 0.00 0.00 55.73 54.98 3dcr s ARG 14 Cb -0.06 -2.41 0.05 0.00 -1.56 0.00 0.00 34.95 30.98 3dcr s ARG 14 CO 0.13 0.18 0.28 -1.50 -0.81 0.00 0.00 175.30 173.58 3dcr s ILE 15 N 0.37 -0.14 -1.71 4.11 2.07 -0.12 -1.44 121.20 124.34 3dcr s ILE 15 Ca -0.16 0.17 0.00 0.00 -1.41 0.00 0.00 60.65 59.25 3dcr s ILE 15 Cb -0.17 -0.44 0.00 0.00 0.13 0.00 0.00 42.46 41.97 3dcr s ILE 15 CO 0.07 0.07 0.00 0.61 -1.91 0.00 0.00 174.94 173.78 3dcr n GLY 16 N 4.51 0.09 2.07 1.50 0.00 -1.26 -1.22 105.19 110.89 3dcr n GLY 16 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.81 1.60 3.74 -0.02 0.00 -1.26 -5.05 105.19 103.39 3dcr n GLY 17 Ca -0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 3dcr n GLY 17 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3dcr s GLN 18 N -0.31 2.99 0.06 1.61 0.74 -0.35 -5.10 119.66 119.30 3dcr s GLN 18 Ca 0.00 -0.49 -0.23 0.00 0.05 0.00 0.00 55.36 54.68 3dcr s GLN 18 Cb 0.00 -2.81 -0.06 0.00 1.10 0.00 0.00 33.01 31.24 3dcr s GLN 18 CO 0.00 0.66 0.71 -0.51 -0.55 0.00 0.00 175.29 175.60 3dcr s LEU 19 N -1.52 4.48 0.08 3.68 1.43 -1.26 -0.94 118.68 124.63 3dcr s LEU 19 Ca 0.20 1.40 -0.02 0.00 -1.03 0.00 0.00 54.13 54.68 3dcr s LEU 19 Cb -0.12 -3.14 -0.04 0.00 0.03 0.00 0.00 46.19 42.93 3dcr s LEU 19 CO 0.11 0.10 0.02 -0.54 0.23 0.00 0.00 176.35 176.26 3dcr s LYS 20 N -0.39 0.74 -0.08 1.70 1.02 -0.37 -5.00 119.74 117.37 3dcr s LYS 20 Ca 0.35 -1.27 -0.05 0.00 0.02 0.00 0.00 55.97 55.03 3dcr s LYS 20 Cb -0.20 0.23 -0.04 0.00 -0.52 0.00 0.00 37.83 37.30 3dcr s LYS 20 CO 0.22 -0.18 0.12 -2.00 -0.92 0.00 0.00 175.35 172.59 3dcr s GLU 21 N -3.96 3.33 0.04 1.68 2.12 -1.26 -0.40 118.70 120.25 3dcr s GLU 21 Ca 0.13 -0.25 -0.10 0.00 0.36 0.00 0.00 54.97 55.11 3dcr s GLU 21 Cb 0.07 -3.08 0.01 0.00 0.26 0.00 0.00 34.13 31.39 3dcr s GLU 21 CO -0.06 0.73 0.21 0.00 -0.54 0.00 0.00 175.26 175.61 3dcr s ALA 22 N -1.08 -0.41 -0.22 6.30 0.00 -0.19 -4.59 121.76 121.57 3dcr s ALA 22 Ca 0.18 -0.25 -0.14 0.00 0.00 0.00 0.00 51.96 51.75 3dcr s ALA 22 Cb -0.12 0.30 -0.04 0.00 0.00 0.00 0.00 23.12 23.26 3dcr s ALA 22 CO 0.08 -0.38 0.32 -1.17 0.00 0.00 0.00 175.76 174.60 3dcr s LEU 23 N -2.12 4.13 -0.27 0.00 2.96 0.27 -0.75 118.68 122.90 3dcr s LEU 23 Ca -0.04 0.35 -0.29 0.00 -0.22 0.00 0.00 54.13 53.93 3dcr s LEU 23 Cb -0.01 -2.37 -0.02 0.00 0.50 0.00 0.00 46.19 44.30 3dcr s LEU 23 CO -0.04 -0.04 1.57 -0.76 -1.32 0.00 0.00 176.35 175.76 3dcr s LEU 24 N 1.32 3.80 -0.43 -0.68 1.43 -0.32 -0.80 118.68 123.00 3dcr s LEU 24 Ca 0.15 1.42 0.03 0.00 -1.03 0.00 0.00 54.13 54.70 3dcr s LEU 24 Cb -0.14 -3.53 0.12 0.00 0.03 0.00 0.00 46.19 42.67 3dcr s LEU 24 CO 0.07 -1.32 0.20 -0.62 0.23 0.00 0.00 176.35 174.91 3dcr s ASP 25 N 4.27 4.05 0.31 2.29 2.15 -0.27 -4.79 116.67 124.68 3dcr s ASP 25 Ca 0.69 -2.55 0.25 0.00 0.43 0.00 0.00 52.55 51.37 3dcr s ASP 25 Cb -0.22 -1.28 1.05 0.00 -0.30 0.00 0.00 42.92 42.17 3dcr s ASP 25 CO 0.29 -0.29 1.76 0.71 -0.17 0.00 0.00 175.17 177.47 3dcr h THR 26 N 5.67 0.00 -0.00 1.71 1.35 -1.93 -2.10 112.91 117.60 3dcr h THR 26 Ca -0.05 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 3dcr h THR 26 Cb 0.94 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 3dcr h THR 26 CO 0.55 0.00 -0.04 0.61 -0.25 0.00 0.00 175.52 176.38 3dcr n GLY 27 N -0.01 -0.99 3.66 5.82 0.00 -1.26 -4.81 105.19 107.60 3dcr n GLY 27 Ca 0.02 -0.23 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.35 3.54 0.22 4.61 0.00 -0.79 -4.99 121.76 121.99 3dcr s ALA 28 Ca 0.34 -0.77 -0.06 0.00 0.00 0.00 0.00 51.96 51.47 3dcr s ALA 28 Cb 0.21 -2.10 0.18 0.00 0.00 0.00 0.00 23.12 21.41 3dcr s ALA 28 CO 0.44 0.06 1.68 -0.44 0.00 0.00 0.00 175.76 177.50 3dcr h ASP 29 N 6.93 0.91 -2.85 0.00 3.32 -1.87 0.48 116.42 123.34 3dcr h ASP 29 Ca -0.39 -0.26 -0.50 0.00 0.02 0.00 0.00 57.03 55.90 3dcr h ASP 29 Cb 1.16 -0.24 -0.14 0.00 0.22 0.00 0.00 39.33 40.33 3dcr h ASP 29 CO 0.71 0.99 -0.69 -1.81 -1.72 0.00 0.00 179.24 176.71 3dcr s ASP 30 N -6.62 2.87 -0.20 6.45 1.01 -1.26 -2.07 116.67 116.85 3dcr s ASP 30 Ca -0.11 -1.14 -0.14 0.00 0.71 0.00 0.00 52.55 51.88 3dcr s ASP 30 Cb 0.14 -0.19 -0.04 0.00 1.01 0.00 0.00 42.92 43.84 3dcr s ASP 30 CO 0.84 -0.26 0.29 -0.89 0.21 0.00 0.00 175.17 175.36 3dcr s THR 31 N -2.93 5.28 -0.09 -1.27 2.01 -1.26 -3.19 115.64 114.19 3dcr s THR 31 Ca 0.28 0.49 0.00 0.00 0.31 0.00 0.00 61.69 62.78 3dcr s THR 31 Cb 0.02 -3.63 0.02 0.00 0.01 0.00 0.00 72.50 68.93 3dcr s THR 31 CO 0.11 0.33 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.60 3dcr s VAL 32 N 0.95 0.94 0.05 3.82 1.01 -0.44 -0.89 120.40 125.83 3dcr s VAL 32 Ca 0.15 -0.28 0.09 0.00 0.00 0.00 0.00 61.98 61.93 3dcr s VAL 32 Cb -0.14 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 3dcr s VAL 32 CO 0.05 0.34 -0.24 -0.63 0.00 0.00 0.00 175.10 174.62 3dcr s ILE 33 N 1.40 1.96 0.94 2.22 -1.09 0.29 -0.76 121.20 126.15 3dcr s ILE 33 Ca -0.01 -1.33 -0.12 0.00 -2.23 0.00 0.00 60.65 56.95 3dcr s ILE 33 Cb -0.13 -1.69 0.06 0.00 -1.58 0.00 0.00 42.46 39.12 3dcr s ILE 33 CO -0.04 0.29 0.58 -1.84 -1.23 0.00 0.00 174.94 172.70 3dcr n GLU 34 N 1.76 -0.32 -1.64 2.79 0.28 -1.25 -1.33 120.64 120.93 3dcr n GLU 34 Ca -0.17 -0.04 -0.41 0.00 -0.16 0.00 0.00 57.16 56.38 3dcr n GLU 34 Cb 0.52 -1.98 0.02 0.00 1.43 0.00 0.00 31.44 31.43 3dcr n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 3dcr n GLU 35 N -2.27 1.47 -3.44 3.44 4.07 -1.22 -4.49 120.64 118.20 3dcr n GLU 35 Ca 0.08 0.53 -0.38 0.00 -0.06 0.00 0.00 57.16 57.33 3dcr n GLU 35 Cb 0.53 -2.18 -0.06 0.00 -0.06 0.00 0.00 31.44 29.67 3dcr n GLU 35 CO 0.00 0.00 0.00 -0.80 -0.06 0.00 0.00 177.13 176.27 3dcr s ASN 37 N -0.76 6.68 0.10 4.31 0.01 -1.26 -5.01 114.94 119.01 3dcr s ASN 37 Ca 0.65 0.81 0.08 0.00 -0.71 0.00 0.00 52.86 53.68 3dcr s ASN 37 Cb -0.52 -2.25 -0.03 0.00 0.41 0.00 0.00 41.25 38.86 3dcr s ASN 37 CO 0.55 0.16 -0.20 -0.76 -1.51 0.00 0.00 177.10 175.34 3dcr s LEU 38 N -0.11 2.29 0.66 0.60 1.43 -1.26 -5.01 118.68 117.28 3dcr s LEU 38 Ca 0.23 -0.67 -0.16 0.00 -1.03 0.00 0.00 54.13 52.50 3dcr s LEU 38 Cb -0.15 -0.84 0.00 0.00 0.03 0.00 0.00 46.19 45.23 3dcr s LEU 38 CO 0.10 0.04 1.16 -2.84 0.23 0.00 0.00 176.35 175.04 3dcr s PRO 39 N -1.87 2.67 3.13 1.29 0.02 -1.26 -5.05 135.00 133.93 3dcr s PRO 39 Ca 0.05 1.61 0.00 0.00 0.02 0.00 0.00 61.00 62.69 3dcr s PRO 39 Cb -0.10 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.51 3dcr s PRO 39 CO 0.04 -1.39 0.00 0.41 -0.33 0.00 0.00 177.00 175.73 3dcr n GLY 40 N 0.04 1.01 3.61 0.52 0.00 -1.26 -5.04 105.19 104.07 3dcr n GLY 40 Ca 0.12 -0.98 -0.03 0.00 0.00 0.00 0.00 46.02 45.14 3dcr n GLY 40 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3dcr s TRP 42 N 0.00 -0.11 -0.02 1.61 1.48 -1.26 -5.14 118.94 115.50 3dcr s TRP 42 Ca 0.00 0.02 0.06 0.00 -1.06 0.00 0.00 56.10 55.12 3dcr s TRP 42 Cb 0.00 0.54 -0.01 0.00 -1.16 0.00 0.00 33.47 32.83 3dcr s TRP 42 CO 0.00 -0.30 -0.20 0.15 -4.06 0.00 0.00 176.95 172.55 3dcr s LYS 43 N -2.53 1.65 0.37 3.25 1.02 -0.71 -4.90 119.74 117.88 3dcr s LYS 43 Ca 0.11 -0.70 -0.27 0.00 0.02 0.00 0.00 55.97 55.13 3dcr s LYS 43 Cb 0.01 -1.56 -0.09 0.00 -0.52 0.00 0.00 37.83 35.67 3dcr s LYS 43 CO -0.04 0.40 1.22 -1.25 -0.92 0.00 0.00 175.35 174.76 3dcr s PRO 44 N -0.39 4.17 0.00 -1.68 0.04 -1.26 -0.41 135.00 135.46 3dcr s PRO 44 Ca 0.06 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.08 3dcr s PRO 44 Cb -0.08 -2.84 0.00 0.00 0.04 0.00 0.00 34.50 31.62 3dcr s PRO 44 CO -0.00 -0.27 0.00 1.63 0.04 0.00 0.00 177.00 178.40 3dcr n LYS 45 N 0.37 0.00 -3.65 4.56 4.76 -0.70 -4.88 118.16 118.62 3dcr n LYS 45 Ca 0.03 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.44 3dcr n LYS 45 Cb 0.45 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.61 3dcr n LYS 45 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 3dcr s ILE 47 N 0.53 0.00 0.16 -0.18 -4.36 -0.58 -0.86 121.20 115.92 3dcr s ILE 47 Ca 0.00 0.00 0.10 0.00 -0.26 0.00 0.00 60.65 60.49 3dcr s ILE 47 Cb 0.00 -1.00 -0.04 0.00 1.25 0.00 0.00 42.46 42.67 3dcr s ILE 47 CO 0.00 0.00 -0.20 -0.83 0.24 0.00 0.00 174.94 174.15 3dcr s GLY 48 N -1.93 1.68 0.00 6.27 0.00 -1.26 -1.01 107.32 111.08 3dcr s GLY 48 Ca 0.12 -1.50 0.00 0.00 0.00 0.00 0.00 44.72 43.33 3dcr s GLY 48 CO -0.03 -1.51 0.00 0.61 0.00 0.00 0.00 173.10 172.18 3dcr n GLY 49 N 0.49 5.42 0.26 0.20 0.00 -0.03 -4.98 105.19 106.55 3dcr n GLY 49 Ca -0.14 -1.43 0.05 0.00 0.00 0.00 0.00 46.02 44.50 3dcr n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3dcr h ILE 50 N 0.00 1.09 -0.02 -0.61 6.09 -2.02 -2.96 117.51 119.09 3dcr h ILE 50 Ca 0.00 -0.35 0.00 0.00 -1.37 0.00 0.00 64.86 63.14 3dcr h ILE 50 Cb 0.00 0.97 0.00 0.00 0.47 0.00 0.00 36.82 38.26 3dcr h ILE 50 CO 0.00 0.12 -0.34 0.61 -3.07 0.00 0.00 178.15 175.47 3dcr n GLY 51 N -1.27 0.13 0.00 8.18 0.00 -1.26 -5.09 105.19 105.88 3dcr n GLY 51 Ca -0.01 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 1.28 0.70 3.64 -0.02 0.00 -1.12 -5.11 105.19 104.56 3dcr n GLY 52 Ca 0.09 -1.92 -0.32 0.00 0.00 0.00 0.00 46.02 43.87 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 -2.13 2.95 0.19 1.61 0.40 -1.26 -0.85 117.98 118.89 3dcr s PHE 53 Ca 0.00 -0.01 0.05 0.00 -0.60 0.00 0.00 56.93 56.37 3dcr s PHE 53 Cb 0.00 -1.59 -0.05 0.00 0.51 0.00 0.00 43.02 41.89 3dcr s PHE 53 CO 0.00 0.43 -0.10 0.96 0.70 0.00 0.00 175.22 177.21 3dcr s ILE 54 N -1.12 1.35 -0.01 0.64 -4.36 -0.18 -4.98 121.20 112.53 3dcr s ILE 54 Ca 0.20 -2.11 -0.16 0.00 -0.26 0.00 0.00 60.65 58.32 3dcr s ILE 54 Cb -0.11 -2.02 -0.06 0.00 1.25 0.00 0.00 42.46 41.52 3dcr s ILE 54 CO 0.12 -0.61 0.46 -0.54 0.24 0.00 0.00 174.94 174.60 3dcr s LYS 55 N -3.73 4.08 0.15 0.37 1.02 -1.26 -1.52 119.74 118.85 3dcr s LYS 55 Ca 0.21 0.48 0.00 0.00 0.02 0.00 0.00 55.97 56.69 3dcr s LYS 55 Cb 0.02 -3.28 -0.04 0.00 -0.52 0.00 0.00 37.83 34.01 3dcr s LYS 55 CO 0.04 0.55 0.03 0.14 -0.92 0.00 0.00 175.35 175.19 3dcr s VAL 56 N -0.66 0.39 -0.23 3.17 -7.23 -0.04 -4.45 120.40 111.34 3dcr s VAL 56 Ca 0.25 -1.94 -0.11 0.00 -1.81 0.00 0.00 61.98 58.37 3dcr s VAL 56 Cb -0.17 -2.09 -0.05 0.00 0.56 0.00 0.00 36.38 34.63 3dcr s VAL 56 CO 0.14 -0.47 0.17 -0.13 -0.31 0.00 0.00 175.10 174.50 3dcr s ARG 57 N -3.98 4.09 -0.27 4.82 0.52 0.32 -1.72 118.95 122.73 3dcr s ARG 57 Ca 0.24 -0.24 -0.14 0.00 -0.52 0.00 0.00 55.73 55.07 3dcr s ARG 57 Cb 0.07 -3.52 -0.04 0.00 0.52 0.00 0.00 34.95 31.98 3dcr s ARG 57 CO 0.03 0.09 0.34 -1.14 0.02 0.00 0.00 175.30 174.64 3dcr s GLN 58 N 0.97 3.99 -0.13 3.54 0.74 0.45 -0.64 119.66 128.58 3dcr s GLN 58 Ca 0.08 -0.05 -0.01 0.00 0.05 0.00 0.00 55.36 55.43 3dcr s GLN 58 Cb -0.13 -3.66 -0.02 0.00 1.10 0.00 0.00 33.01 30.29 3dcr s GLN 58 CO 0.04 -0.27 -0.10 0.71 -0.55 0.00 0.00 175.29 175.12 3dcr s TYR 59 N 2.01 2.89 0.10 1.67 1.51 -0.36 -1.74 117.35 123.43 3dcr s TYR 59 Ca 0.13 -0.44 0.02 0.00 -1.01 0.00 0.00 57.07 55.77 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 0.10 -0.08 0.21 -0.51 -1.11 0.00 0.00 175.55 174.17 3dcr s ASP 60 N 0.17 6.17 -1.17 2.29 1.01 -1.26 -0.86 116.67 123.02 3dcr s ASP 60 Ca -0.05 0.16 -0.05 0.00 0.71 0.00 0.00 52.55 53.32 3dcr s ASP 60 Cb -0.15 -1.83 0.01 0.00 1.01 0.00 0.00 42.92 41.96 3dcr s ASP 60 CO 0.04 0.12 1.00 0.00 0.21 0.00 0.00 175.17 176.54 3dcr n GLN 61 N -0.04 -6.69 -3.54 8.23 1.13 -1.13 -4.91 117.38 110.44 3dcr n GLN 61 Ca -0.06 0.76 -0.37 0.00 -1.94 0.00 0.00 57.00 55.38 3dcr n GLN 61 Cb 0.52 -5.55 -0.09 0.00 0.11 0.00 0.00 30.24 25.23 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 -3.30 5.28 0.17 5.09 -1.09 -0.09 -4.71 121.20 122.55 3dcr s ILE 62 Ca 0.30 0.41 -0.30 0.00 -2.23 0.00 0.00 60.65 58.83 3dcr s ILE 62 Cb -0.13 -3.60 -0.08 0.00 -1.58 0.00 0.00 42.46 37.06 3dcr s ILE 62 CO 0.66 0.29 1.30 -2.84 -1.23 0.00 0.00 174.94 173.13 3dcr s PRO 63 N 1.23 4.39 -0.04 2.79 0.02 -1.26 -1.59 135.00 140.54 3dcr s PRO 63 Ca 0.12 2.01 0.00 0.00 0.02 0.00 0.00 61.00 63.16 3dcr s PRO 63 Cb -0.14 -3.22 0.03 0.00 0.02 0.00 0.00 34.50 31.18 3dcr s PRO 63 CO 0.06 -0.27 -0.01 0.08 -0.33 0.00 0.00 177.00 176.53 3dcr s VAL 64 N 0.37 0.31 -0.26 3.83 1.01 -0.04 -4.39 120.40 121.24 3dcr s VAL 64 Ca 0.58 0.05 -0.09 0.00 0.00 0.00 0.00 61.98 62.52 3dcr s VAL 64 Cb -0.35 -0.41 -0.04 0.00 0.00 0.00 0.00 36.38 35.58 3dcr s VAL 64 CO 0.36 0.20 0.14 -0.70 0.00 0.00 0.00 175.10 175.09 3dcr s GLU 65 N 1.25 3.87 -0.24 2.72 2.12 -0.52 -0.97 118.70 126.93 3dcr s GLU 65 Ca -0.06 -0.37 0.10 0.00 0.36 0.00 0.00 54.97 55.00 3dcr s GLU 65 Cb -0.13 -3.50 0.45 0.00 0.26 0.00 0.00 34.13 31.21 3dcr s GLU 65 CO -0.02 -0.12 1.31 -0.89 -0.54 0.00 0.00 175.26 175.00 3dcr n ILE 66 N 4.79 2.33 0.00 -3.70 5.41 -1.26 -1.09 119.36 125.83 3dcr n ILE 66 Ca -0.15 -3.05 0.00 0.00 1.00 0.00 0.00 62.75 60.55 3dcr n ILE 66 Cb 0.52 -0.27 0.00 0.00 -0.71 0.00 0.00 39.64 39.18 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 3.54 7.39 0.00 -1.26 -4.76 105.19 108.97 3dcr n GLY 68 Ca 0.24 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.92 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 3.04 0.21 1.61 4.02 -1.26 -5.09 115.29 117.81 3dcr s HIS 69 Ca 0.00 -0.18 -0.25 0.00 1.02 0.00 0.00 55.06 55.66 3dcr s HIS 69 Cb 0.00 -1.91 -0.08 0.00 -1.02 0.00 0.00 32.58 29.57 3dcr s HIS 69 CO 0.00 0.09 0.80 0.15 1.02 0.00 0.00 174.74 176.80 3dcr s LYS 70 N 0.05 4.53 0.05 1.40 1.02 -1.26 -4.35 119.74 121.17 3dcr s LYS 70 Ca 0.00 1.15 0.01 0.00 0.02 0.00 0.00 55.97 57.15 3dcr s LYS 70 Cb -0.13 -3.11 -0.03 0.00 -0.52 0.00 0.00 37.83 34.03 3dcr s LYS 70 CO 0.03 0.49 -0.05 0.00 -0.92 0.00 0.00 175.35 174.89 3dcr s ALA 71 N -1.30 0.54 -0.11 5.17 0.00 -0.14 -4.63 121.76 121.28 3dcr s ALA 71 Ca 0.40 -0.96 -0.03 0.00 0.00 0.00 0.00 51.96 51.37 3dcr s ALA 71 Cb -0.21 0.15 0.05 0.00 0.00 0.00 0.00 23.12 23.10 3dcr s ALA 71 CO 0.25 -0.18 0.06 0.42 0.00 0.00 0.00 175.76 176.31 3dcr s ILE 72 N -2.49 0.03 0.00 0.00 1.01 -1.26 -0.86 121.20 117.63 3dcr s ILE 72 Ca -0.03 0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.66 3dcr s ILE 72 Cb -0.02 -0.47 0.00 0.00 0.01 0.00 0.00 42.46 41.98 3dcr s ILE 72 CO -0.03 -0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.47 3dcr n GLY 73 N 5.24 1.19 3.73 6.18 0.00 -0.62 -4.77 105.19 116.14 3dcr n GLY 73 Ca -0.06 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.24 4.41 -0.11 2.61 2.01 -1.26 -0.91 115.64 120.14 3dcr s THR 74 Ca 0.00 2.00 0.02 0.00 0.31 0.00 0.00 61.69 64.02 3dcr s THR 74 Cb 0.00 -4.28 0.01 0.00 0.01 0.00 0.00 72.50 68.25 3dcr s THR 74 CO 0.00 0.30 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.36 3dcr s VAL 75 N 0.01 1.70 -0.12 3.82 1.01 -0.04 -4.46 120.40 122.31 3dcr s VAL 75 Ca 0.48 -0.77 -0.12 0.00 0.00 0.00 0.00 61.98 61.56 3dcr s VAL 75 Cb -0.24 -1.52 -0.05 0.00 0.00 0.00 0.00 36.38 34.57 3dcr s VAL 75 CO 0.30 0.48 0.26 -0.76 0.00 0.00 0.00 175.10 175.39 3dcr s LEU 76 N 0.82 4.33 -0.14 3.92 1.43 -0.07 -1.22 118.68 127.75 3dcr s LEU 76 Ca -0.09 0.57 0.02 0.00 -1.03 0.00 0.00 54.13 53.60 3dcr s LEU 76 Cb -0.16 -2.31 0.00 0.00 0.03 0.00 0.00 46.19 43.76 3dcr s LEU 76 CO 0.00 0.25 -0.20 -0.69 0.23 0.00 0.00 176.35 175.94 3dcr s VAL 77 N -0.32 2.28 -1.20 -1.59 1.01 0.19 -0.55 120.40 120.23 3dcr s VAL 77 Ca 0.17 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.24 3dcr s VAL 77 Cb -0.13 -1.92 0.00 0.00 0.00 0.00 0.00 36.38 34.32 3dcr s VAL 77 CO 0.05 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.31 3dcr n GLY 78 N 3.93 -1.12 2.16 4.51 0.00 -0.44 -0.52 105.19 113.72 3dcr n GLY 78 Ca -0.19 -0.86 -0.25 0.00 0.00 0.00 0.00 46.02 44.72 3dcr n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3dcr n PRO 79 N 0.00 2.78 -2.57 1.61 -0.04 -1.26 -3.41 135.00 132.11 3dcr n PRO 79 Ca 0.00 -1.56 -0.38 0.00 -0.04 0.00 0.00 63.50 61.53 3dcr n PRO 79 Cb 0.00 -2.38 -0.05 0.00 -0.04 0.00 0.00 33.50 31.04 3dcr n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3dcr s THR 80 N 1.61 3.74 0.41 0.52 -1.32 -1.26 -4.95 115.64 114.39 3dcr s THR 80 Ca 0.67 1.47 0.12 0.00 -1.21 0.00 0.00 61.69 62.74 3dcr s THR 80 Cb 0.25 -3.83 0.17 0.00 -1.51 0.00 0.00 72.50 67.58 3dcr s THR 80 CO -0.03 0.14 1.95 -0.65 -2.21 0.00 0.00 174.62 173.82 3dcr h PRO 81 N 3.00 0.12 -3.58 7.08 0.11 -1.98 -3.44 132.00 133.30 3dcr h PRO 81 Ca -0.47 -0.03 -0.23 0.00 0.11 0.00 0.00 66.00 65.38 3dcr h PRO 81 Cb 1.21 -0.02 -0.29 0.00 0.11 0.00 0.00 31.00 32.02 3dcr h PRO 81 CO 0.64 0.29 -0.67 0.08 -0.21 0.00 0.00 178.00 178.12 3dcr s VAL 82 N -4.66 -0.01 0.09 3.15 1.01 -1.26 -5.11 120.40 113.60 3dcr s VAL 82 Ca -0.05 0.05 -0.31 0.00 0.00 0.00 0.00 61.98 61.67 3dcr s VAL 82 Cb 0.16 -0.08 -0.08 0.00 0.00 0.00 0.00 36.38 36.37 3dcr s VAL 82 CO 0.72 0.02 1.54 0.20 0.00 0.00 0.00 175.10 177.58 3dcr s ASN 83 N 0.26 6.68 -0.03 3.32 0.01 -1.26 -4.83 114.94 119.08 3dcr s ASN 83 Ca -0.02 2.42 0.03 0.00 -0.71 0.00 0.00 52.86 54.58 3dcr s ASN 83 Cb -0.03 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.06 3dcr s ASN 83 CO -0.01 -0.80 -0.11 0.27 -1.51 0.00 0.00 177.10 174.94 3dcr s ILE 84 N 1.98 0.97 -0.37 0.60 -4.36 0.06 -0.56 121.20 119.52 3dcr s ILE 84 Ca 0.70 -0.46 -0.16 0.00 -0.26 0.00 0.00 60.65 60.47 3dcr s ILE 84 Cb -0.39 -0.86 0.00 0.00 1.25 0.00 0.00 42.46 42.47 3dcr s ILE 84 CO 0.31 0.30 0.39 -0.63 0.24 0.00 0.00 174.94 175.54 3dcr s ILE 85 N 0.19 5.14 0.31 8.37 -1.09 0.02 -1.33 121.20 132.82 3dcr s ILE 85 Ca -0.04 -0.11 0.05 0.00 -2.23 0.00 0.00 60.65 58.33 3dcr s ILE 85 Cb -0.10 -3.90 0.05 0.00 -1.58 0.00 0.00 42.46 36.93 3dcr s ILE 85 CO 0.01 -0.22 0.43 0.61 -1.23 0.00 0.00 174.94 174.55 3dcr n GLY 86 N 5.01 1.95 0.24 6.18 0.00 -1.19 -1.12 105.19 116.26 3dcr n GLY 86 Ca -0.08 -2.18 0.07 0.00 0.00 0.00 0.00 46.02 43.83 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 -0.72 1.61 3.08 -0.79 -0.89 114.38 116.67 3dcr h ARG 87 Ca -0.15 0.00 0.06 0.00 0.07 0.00 0.00 59.98 59.96 3dcr h ARG 87 Cb 0.67 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.68 3dcr h ARG 87 CO 0.21 0.15 0.47 -2.95 -1.07 0.00 0.00 179.97 176.78 3dcr h ASN 88 N 0.00 0.68 0.19 7.04 -1.07 -1.68 -1.70 115.58 119.04 3dcr h ASN 88 Ca -0.00 0.00 -0.34 0.00 0.07 0.00 0.00 56.30 56.03 3dcr h ASN 88 Cb 0.28 -0.15 -0.06 0.00 -2.07 0.00 0.00 38.32 36.32 3dcr h ASN 88 CO 0.02 0.45 -2.12 0.18 0.07 0.00 0.00 177.43 176.03 3dcr n LEU 89 N -4.47 0.56 -0.35 6.14 4.77 -0.82 -4.16 117.00 118.67 3dcr n LEU 89 Ca 0.10 0.16 0.02 0.00 -0.03 0.00 0.00 56.01 56.26 3dcr n LEU 89 Cb 0.20 0.25 0.18 0.00 -2.33 0.00 0.00 43.42 41.73 3dcr n LEU 89 CO 0.34 0.49 1.27 -0.07 -1.33 0.00 0.00 177.39 178.09 3dcr h LEU 90 N 0.00 1.02 -1.20 2.23 3.38 -1.02 -1.74 115.31 117.99 3dcr h LEU 90 Ca -0.45 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.46 3dcr h LEU 90 Cb 2.14 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 42.65 3dcr h LEU 90 CO 0.04 0.67 -0.08 0.71 0.09 0.00 0.00 178.44 179.87 3dcr h THR 91 N 1.17 1.21 -0.13 0.22 1.35 -1.50 -2.74 112.91 112.48 3dcr h THR 91 Ca 0.41 -0.89 -0.09 0.00 -0.55 0.00 0.00 66.41 65.28 3dcr h THR 91 Cb 0.11 1.09 -0.01 0.00 -1.73 0.00 0.00 68.15 67.60 3dcr h THR 91 CO -0.15 0.29 -0.34 1.56 -0.25 0.00 0.00 175.52 176.64 3dcr h GLN 92 N 0.43 0.27 -0.17 4.72 4.20 -1.48 -2.33 115.11 120.74 3dcr h GLN 92 Ca 0.09 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3dcr h GLN 92 Cb 0.41 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.18 3dcr h GLN 92 CO 0.02 0.58 0.00 0.44 -0.67 0.00 0.00 178.83 179.20 3dcr n ILE 93 N -4.08 0.22 -1.08 2.54 -5.35 -1.05 -4.94 119.36 105.61 3dcr n ILE 93 Ca -0.01 -0.36 -0.00 0.00 -0.27 0.00 0.00 62.75 62.11 3dcr n ILE 93 Cb 0.43 0.40 -0.00 0.00 -1.74 0.00 0.00 39.64 38.73 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 1.14 -2.88 0.00 3.28 0.00 -0.88 -5.09 105.19 100.76 3dcr n GLY 94 Ca 0.16 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 0.04 0.00 -3.75 2.61 -2.24 -1.26 -5.02 114.28 104.65 3dcr n THR 96 Ca -0.00 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.42 3dcr n THR 96 Cb 0.00 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.18 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 4.39 -0.03 3.22 1.43 -1.26 -5.10 118.68 121.33 3dcr s LEU 97 Ca 0.00 0.60 -0.02 0.00 -1.03 0.00 0.00 54.13 53.67 3dcr s LEU 97 Cb 0.00 -2.48 0.01 0.00 0.03 0.00 0.00 46.19 43.75 3dcr s LEU 97 CO 0.00 0.31 0.07 0.20 0.23 0.00 0.00 176.35 177.16 3dcr s ASN 98 N -1.40 -0.07 0.00 2.29 0.01 -1.26 -5.29 114.94 109.21 3dcr s ASN 98 Ca 0.23 0.15 0.00 0.00 -0.71 0.00 0.00 52.86 52.53 3dcr s ASN 98 Cb -0.13 0.14 0.00 0.00 0.41 0.00 0.00 41.25 41.66 3dcr s ASN 98 CO 0.12 -0.04 0.00 2.22 -1.51 0.00 0.00 177.10 177.89