#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dck s GLN 2 N 0.00 3.69 -0.20 0.54 0.74 -1.26 -5.10 119.66 118.07 3dck s GLN 2 Ca 0.00 -0.31 0.01 0.00 0.05 0.00 0.00 55.36 55.11 3dck s GLN 2 Cb 0.00 -3.13 0.04 0.00 1.10 0.00 0.00 33.01 31.01 3dck s GLN 2 CO 0.00 0.46 -0.13 0.42 -0.55 0.00 0.00 175.29 175.49 3dck s ILE 3 N -0.16 1.79 0.78 -2.34 1.01 -1.26 -5.11 121.20 115.91 3dck s ILE 3 Ca 0.08 -1.04 -0.11 0.00 0.00 0.00 0.00 60.65 59.58 3dck s ILE 3 Cb -0.12 -1.79 0.07 0.00 0.01 0.00 0.00 42.46 40.62 3dck s ILE 3 CO 0.01 0.25 1.14 0.42 0.00 0.00 0.00 174.94 176.77 3dck s THR 4 N 1.34 2.30 -0.15 2.92 -4.23 -1.26 -5.01 115.64 111.56 3dck s THR 4 Ca -0.00 0.05 0.18 0.00 -1.18 0.00 0.00 61.69 60.74 3dck s THR 4 Cb -0.16 -3.09 0.37 0.00 1.34 0.00 0.00 72.50 70.97 3dck s THR 4 CO -0.09 -0.11 1.24 0.18 -0.54 0.00 0.00 174.62 175.30 3dck n LEU 5 N -3.21 2.86 -0.30 4.79 4.77 -1.26 -4.62 117.00 120.03 3dck n LEU 5 Ca 0.08 -3.08 -0.03 0.00 -0.03 0.00 0.00 56.01 52.95 3dck n LEU 5 Cb 0.60 -0.47 0.11 0.00 -2.33 0.00 0.00 43.42 41.34 3dck n LEU 5 CO 0.57 0.71 1.16 -0.50 -1.33 0.00 0.00 177.39 177.99 3dck h TRP 6 N 0.60 1.18 -1.95 -1.77 4.06 -2.06 -3.43 115.95 112.57 3dck h TRP 6 Ca 0.00 -0.03 -0.58 0.00 2.06 0.00 0.00 58.89 60.33 3dck h TRP 6 Cb 1.15 -0.37 -0.13 0.00 -1.00 0.00 0.00 29.16 28.80 3dck h TRP 6 CO 0.17 0.82 -0.60 -1.59 -3.56 0.00 0.00 178.44 173.69 3dck s LYS 7 N -5.76 1.88 0.23 0.49 -2.85 -1.26 -5.09 119.74 107.38 3dck s LYS 7 Ca -0.12 -2.07 -0.32 0.00 -1.00 0.00 0.00 55.97 52.46 3dck s LYS 7 Cb 0.17 -1.38 -0.13 0.00 -2.06 0.00 0.00 37.83 34.42 3dck s LYS 7 CO 0.82 -0.12 1.51 0.54 0.10 0.00 0.00 175.35 178.21 3dck n ARG 8 N -0.90 2.27 -2.24 1.78 1.74 -1.26 -4.84 116.66 113.20 3dck n ARG 8 Ca -0.05 0.81 -0.39 0.00 -0.77 0.00 0.00 57.85 57.45 3dck n ARG 8 Cb 0.67 -2.53 -0.02 0.00 -1.02 0.00 0.00 32.46 29.55 3dck n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3dck n PRO 9 N 2.52 2.62 -3.40 5.56 -0.04 -1.26 -4.94 135.00 136.06 3dck n PRO 9 Ca 0.12 -2.89 -0.37 0.00 -0.04 0.00 0.00 63.50 60.33 3dck n PRO 9 Cb 0.32 -3.50 -0.06 0.00 -0.04 0.00 0.00 33.50 30.22 3dck n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3dck s LEU 10 N 5.57 4.28 0.25 1.53 1.43 -1.26 -1.29 118.68 129.18 3dck s LEU 10 Ca 0.57 0.72 0.03 0.00 -1.03 0.00 0.00 54.13 54.42 3dck s LEU 10 Cb 0.05 -2.58 -0.05 0.00 0.03 0.00 0.00 46.19 43.64 3dck s LEU 10 CO 0.08 0.06 0.04 0.68 0.23 0.00 0.00 176.35 177.43 3dck s VAL 11 N 0.46 0.84 0.08 -1.59 -7.23 -0.09 -4.91 120.40 107.95 3dck s VAL 11 Ca 0.23 -2.01 -0.24 0.00 -1.81 0.00 0.00 61.98 58.15 3dck s VAL 11 Cb -0.14 -2.48 -0.06 0.00 0.56 0.00 0.00 36.38 34.25 3dck s VAL 11 CO 0.08 -0.18 0.73 -0.89 -0.31 0.00 0.00 175.10 174.52 3dck s THR 12 N -3.55 4.64 0.20 5.32 2.01 -1.26 -1.10 115.64 121.90 3dck s THR 12 Ca 0.32 1.56 0.07 0.00 0.31 0.00 0.00 61.69 63.95 3dck s THR 12 Cb 0.07 -4.08 -0.05 0.00 0.01 0.00 0.00 72.50 68.46 3dck s THR 12 CO 0.11 0.44 -0.13 0.27 -0.69 0.00 0.00 174.62 174.62 3dck s ILE 13 N -0.51 1.61 -0.09 1.82 -4.36 0.79 -4.56 121.20 115.90 3dck s ILE 13 Ca 0.36 -2.18 0.03 0.00 -0.26 0.00 0.00 60.65 58.61 3dck s ILE 13 Cb -0.21 -2.03 0.00 0.00 1.25 0.00 0.00 42.46 41.47 3dck s ILE 13 CO 0.23 -0.60 -0.20 -0.60 0.24 0.00 0.00 174.94 174.01 3dck s ARG 14 N -3.67 2.57 -0.18 0.37 3.52 0.66 -0.93 118.95 121.29 3dck s ARG 14 Ca 0.22 -0.71 -0.11 0.00 -0.13 0.00 0.00 55.73 54.99 3dck s ARG 14 Cb 0.00 -1.98 0.06 0.00 -1.56 0.00 0.00 34.95 31.47 3dck s ARG 14 CO 0.06 0.13 0.44 -1.50 -0.81 0.00 0.00 175.30 173.61 3dck s ILE 15 N 0.46 -0.02 -1.72 4.11 2.07 0.25 -0.92 121.20 125.43 3dck s ILE 15 Ca -0.17 0.07 0.00 0.00 -1.41 0.00 0.00 60.65 59.13 3dck s ILE 15 Cb -0.17 -0.64 0.00 0.00 0.13 0.00 0.00 42.46 41.78 3dck s ILE 15 CO 0.07 0.03 0.00 0.61 -1.91 0.00 0.00 174.94 173.74 3dck n GLY 16 N 3.94 0.74 2.26 1.50 0.00 -1.26 -0.50 105.19 111.87 3dck n GLY 16 Ca -0.21 -0.15 -0.04 0.00 0.00 0.00 0.00 46.02 45.62 3dck n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dck n GLY 17 N -0.89 0.66 3.38 -0.02 0.00 -1.26 -5.04 105.19 102.02 3dck n GLY 17 Ca -0.20 -0.40 -0.31 0.00 0.00 0.00 0.00 46.02 45.12 3dck n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dck s GLN 18 N -1.72 1.99 -0.02 1.61 -0.21 0.34 -5.12 119.66 116.53 3dck s GLN 18 Ca 0.00 -1.01 -0.19 0.00 0.02 0.00 0.00 55.36 54.18 3dck s GLN 18 Cb 0.00 -2.08 -0.05 0.00 1.00 0.00 0.00 33.01 31.87 3dck s GLN 18 CO 0.00 0.54 0.55 -0.51 -2.12 0.00 0.00 175.29 173.75 3dck s LEU 19 N -1.17 4.40 0.06 2.90 1.43 -1.26 -0.58 118.68 124.47 3dck s LEU 19 Ca 0.12 1.08 -0.06 0.00 -1.03 0.00 0.00 54.13 54.24 3dck s LEU 19 Cb -0.10 -2.84 -0.01 0.00 0.03 0.00 0.00 46.19 43.27 3dck s LEU 19 CO 0.02 0.12 0.11 -0.54 0.23 0.00 0.00 176.35 176.30 3dck s LYS 20 N -0.20 0.69 -0.07 1.70 1.02 -0.11 -4.98 119.74 117.79 3dck s LYS 20 Ca 0.29 -0.90 -0.05 0.00 0.02 0.00 0.00 55.97 55.33 3dck s LYS 20 Cb -0.17 0.27 -0.04 0.00 -0.52 0.00 0.00 37.83 37.37 3dck s LYS 20 CO 0.16 -0.19 0.17 -1.21 -0.92 0.00 0.00 175.35 173.36 3dck s GLU 21 N -3.28 3.45 0.02 1.68 2.02 -1.26 -0.15 118.70 121.18 3dck s GLU 21 Ca 0.01 -0.20 -0.09 0.00 0.02 0.00 0.00 54.97 54.71 3dck s GLU 21 Cb 0.03 -3.15 0.00 0.00 0.10 0.00 0.00 34.13 31.11 3dck s GLU 21 CO -0.08 0.73 0.17 0.00 0.02 0.00 0.00 175.26 176.10 3dck s ALA 22 N -1.17 -0.34 -0.20 5.21 0.00 -0.26 -4.32 121.76 120.68 3dck s ALA 22 Ca 0.21 -0.21 -0.15 0.00 0.00 0.00 0.00 51.96 51.81 3dck s ALA 22 Cb -0.12 0.19 -0.04 0.00 0.00 0.00 0.00 23.12 23.15 3dck s ALA 22 CO 0.11 -0.29 0.36 -1.17 0.00 0.00 0.00 175.76 174.78 3dck s LEU 23 N -1.76 4.16 -0.30 0.00 2.96 0.15 -0.92 118.68 122.97 3dck s LEU 23 Ca -0.10 0.47 -0.29 0.00 -0.22 0.00 0.00 54.13 53.99 3dck s LEU 23 Cb -0.04 -2.46 0.00 0.00 0.50 0.00 0.00 46.19 44.19 3dck s LEU 23 CO -0.01 -0.05 1.31 -0.76 -1.32 0.00 0.00 176.35 175.52 3dck s LEU 24 N 1.22 3.87 -0.40 -0.68 1.43 -0.41 -0.45 118.68 123.26 3dck s LEU 24 Ca 0.18 1.20 0.02 0.00 -1.03 0.00 0.00 54.13 54.49 3dck s LEU 24 Cb -0.14 -3.54 0.12 0.00 0.03 0.00 0.00 46.19 42.65 3dck s LEU 24 CO 0.07 -1.09 0.16 0.21 0.23 0.00 0.00 176.35 175.93 3dck s ASN 25 N 2.84 4.16 0.39 2.29 3.04 0.17 -4.80 114.94 123.02 3dck s ASN 25 Ca 0.57 -2.33 0.27 0.00 0.04 0.00 0.00 52.86 51.40 3dck s ASN 25 Cb -0.17 -1.26 1.39 0.00 -1.54 0.00 0.00 41.25 39.68 3dck s ASN 25 CO 0.23 -0.33 1.82 0.71 -3.04 0.00 0.00 177.10 176.50 3dck h THR 26 N 5.95 0.00 -0.41 -5.21 1.35 -1.93 -2.53 112.91 110.14 3dck h THR 26 Ca -0.06 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.72 3dck h THR 26 Cb 0.97 0.73 0.00 0.00 -1.73 0.00 0.00 68.15 68.11 3dck h THR 26 CO 0.53 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.41 3dck n GLY 27 N -0.95 1.01 3.30 5.82 0.00 -1.26 -4.84 105.19 108.28 3dck n GLY 27 Ca -0.01 -0.49 -0.34 0.00 0.00 0.00 0.00 46.02 45.18 3dck n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dck s ALA 28 N -1.46 2.66 0.27 4.61 0.00 -0.95 -5.00 121.76 121.88 3dck s ALA 28 Ca 0.31 -1.08 0.06 0.00 0.00 0.00 0.00 51.96 51.25 3dck s ALA 28 Cb 0.16 -1.44 0.38 0.00 0.00 0.00 0.00 23.12 22.23 3dck s ALA 28 CO 0.22 -0.17 1.65 -0.44 0.00 0.00 0.00 175.76 177.01 3dck h ASP 29 N 7.57 0.23 -2.15 0.00 3.32 -1.88 0.42 116.42 123.94 3dck h ASP 29 Ca -0.37 -0.11 -0.58 0.00 0.02 0.00 0.00 57.03 55.99 3dck h ASP 29 Cb 1.18 -0.07 -0.13 0.00 0.22 0.00 0.00 39.33 40.53 3dck h ASP 29 CO 0.59 0.69 -0.60 -1.81 -1.72 0.00 0.00 179.24 176.40 3dck s ASP 30 N -6.88 3.38 -0.16 6.45 1.01 -1.26 -2.49 116.67 116.71 3dck s ASP 30 Ca -0.04 -1.39 -0.06 0.00 0.71 0.00 0.00 52.55 51.77 3dck s ASP 30 Cb 0.13 -0.24 -0.04 0.00 1.01 0.00 0.00 42.92 43.78 3dck s ASP 30 CO 0.78 -0.53 0.03 -0.89 0.21 0.00 0.00 175.17 174.77 3dck s THR 31 N -2.92 4.48 -0.11 -1.27 2.01 -1.26 -3.36 115.64 113.21 3dck s THR 31 Ca 0.34 -0.15 0.01 0.00 0.31 0.00 0.00 61.69 62.19 3dck s THR 31 Cb 0.09 -2.99 0.02 0.00 0.01 0.00 0.00 72.50 69.63 3dck s THR 31 CO 0.16 0.49 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.79 3dck s VAL 32 N 0.22 1.18 0.00 3.82 1.01 0.14 -0.46 120.40 126.31 3dck s VAL 32 Ca 0.02 -0.42 0.06 0.00 0.00 0.00 0.00 61.98 61.64 3dck s VAL 32 Cb -0.13 -1.14 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 3dck s VAL 32 CO 0.01 0.39 -0.18 -0.63 0.00 0.00 0.00 175.10 174.69 3dck s ILE 33 N 1.36 2.75 0.74 2.22 -1.09 0.63 0.19 121.20 127.99 3dck s ILE 33 Ca -0.01 -1.03 -0.16 0.00 -2.23 0.00 0.00 60.65 57.22 3dck s ILE 33 Cb -0.14 -2.10 -0.01 0.00 -1.58 0.00 0.00 42.46 38.63 3dck s ILE 33 CO -0.05 0.45 0.78 1.21 -1.23 0.00 0.00 174.94 176.10 3dck n GLU 34 N 1.93 0.37 -1.06 2.79 0.00 -1.26 -1.89 120.64 121.51 3dck n GLU 34 Ca -0.16 0.17 -0.34 0.00 0.00 0.00 0.00 57.16 56.83 3dck n GLU 34 Cb 0.52 -2.06 -0.01 0.00 0.00 0.00 0.00 31.44 29.90 3dck n GLU 34 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 3dck n GLU 35 N -1.47 0.00 -3.35 5.31 4.07 -1.11 -4.63 120.64 119.46 3dck n GLU 35 Ca 0.12 0.00 -0.26 0.00 -0.06 0.00 0.00 57.16 56.96 3dck n GLU 35 Cb 0.50 -0.81 -0.08 0.00 -0.06 0.00 0.00 31.44 30.99 3dck n GLU 35 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 3dck n ASN 37 N 1.85 2.44 -4.75 4.31 4.05 -1.26 -5.04 115.26 116.85 3dck n ASN 37 Ca 0.10 -3.16 -0.41 0.00 0.45 0.00 0.00 54.58 51.55 3dck n ASN 37 Cb 0.31 -0.66 -0.03 0.00 1.23 0.00 0.00 39.78 40.63 3dck n ASN 37 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3dck s LEU 38 N -1.98 4.43 0.54 1.20 1.43 -1.26 -5.03 118.68 118.02 3dck s LEU 38 Ca 0.38 2.54 -0.18 0.00 -1.03 0.00 0.00 54.13 55.84 3dck s LEU 38 Cb 0.15 -3.63 -0.06 0.00 0.03 0.00 0.00 46.19 42.68 3dck s LEU 38 CO -0.05 -0.50 1.05 -2.84 0.23 0.00 0.00 176.35 174.24 3dck s PRO 39 N -1.03 3.56 0.00 1.29 0.02 -1.26 -5.04 135.00 132.53 3dck s PRO 39 Ca 0.52 1.29 0.00 0.00 0.02 0.00 0.00 61.00 62.83 3dck s PRO 39 Cb -0.38 -2.06 0.00 0.00 0.02 0.00 0.00 34.50 32.08 3dck s PRO 39 CO 0.45 -0.63 0.00 0.41 -0.33 0.00 0.00 177.00 176.91 3dck n GLY 40 N -0.60 1.23 0.00 0.52 0.00 -1.26 -5.07 105.19 100.00 3dck n GLY 40 Ca 0.09 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.40 3dck n GLY 40 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 3dck n TRP 42 N 0.00 0.00 -4.27 1.61 4.27 -1.26 -5.12 117.44 112.67 3dck n TRP 42 Ca 0.00 0.00 -0.19 0.00 -3.89 0.00 0.00 57.50 53.42 3dck n TRP 42 Cb 0.00 0.00 -0.11 0.00 -1.36 0.00 0.00 31.31 29.84 3dck n TRP 42 CO 0.00 0.00 0.00 -1.59 -2.29 0.00 0.00 177.69 173.81 3dck s LYS 43 N -2.00 1.10 0.44 -2.67 -2.85 -0.56 -4.89 119.74 108.30 3dck s LYS 43 Ca 0.00 -1.30 -0.24 0.00 -1.00 0.00 0.00 55.97 53.43 3dck s LYS 43 Cb 0.00 -1.02 -0.08 0.00 -2.06 0.00 0.00 37.83 34.68 3dck s LYS 43 CO 0.00 0.20 1.15 -1.25 0.10 0.00 0.00 175.35 175.55 3dck s PRO 44 N -2.76 3.89 0.00 1.78 0.04 -1.26 -0.30 135.00 136.39 3dck s PRO 44 Ca 0.11 1.75 0.00 0.00 0.04 0.00 0.00 61.00 62.91 3dck s PRO 44 Cb -0.05 -2.50 0.00 0.00 0.04 0.00 0.00 34.50 32.00 3dck s PRO 44 CO 0.04 -0.43 0.00 1.17 0.04 0.00 0.00 177.00 177.82 3dck n LYS 45 N -0.28 0.00 0.00 4.56 4.81 -0.81 -4.88 118.16 121.56 3dck n LYS 45 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.50 3dck n LYS 45 Cb 0.48 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.53 3dck n LYS 45 CO 0.00 0.00 0.00 0.44 1.17 0.00 0.00 177.40 179.01 3dck n ILE 47 N 0.00 0.00 -4.31 3.15 -5.35 -0.63 -0.78 119.36 111.43 3dck n ILE 47 Ca 0.00 0.00 -0.17 0.00 -0.27 0.00 0.00 62.75 62.31 3dck n ILE 47 Cb 0.00 0.00 -0.10 0.00 -1.74 0.00 0.00 39.64 37.80 3dck n ILE 47 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3dck s GLY 48 N 0.00 1.77 0.00 3.28 0.00 -1.26 -1.27 107.32 109.84 3dck s GLY 48 Ca 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 44.72 42.89 3dck s GLY 48 CO 0.00 -1.58 0.00 0.61 0.00 0.00 0.00 173.10 172.13 3dck n GLY 49 N -0.47 1.04 3.67 0.20 0.00 -0.66 -5.00 105.19 103.96 3dck n GLY 49 Ca 0.00 -0.43 -0.46 0.00 0.00 0.00 0.00 46.02 45.13 3dck n GLY 49 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3dck n ILE 50 N 0.00 0.05 0.00 -0.61 5.41 -1.26 -1.65 119.36 121.30 3dck n ILE 50 Ca 0.00 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.74 3dck n ILE 50 Cb 0.00 -1.57 0.00 0.00 -0.71 0.00 0.00 39.64 37.36 3dck n ILE 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3dck n GLY 51 N 3.49 2.35 0.00 7.39 0.00 -1.26 -4.93 105.19 112.24 3dck n GLY 51 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3dck n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dck n GLY 52 N -2.00 0.34 3.48 -0.02 0.00 -0.66 -5.08 105.19 101.25 3dck n GLY 52 Ca 0.00 -2.03 -0.27 0.00 0.00 0.00 0.00 46.02 43.72 3dck n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dck s PHE 53 N -0.44 2.44 0.10 1.61 0.40 -1.26 -1.66 117.98 119.18 3dck s PHE 53 Ca 0.00 -0.30 0.05 0.00 -0.60 0.00 0.00 56.93 56.08 3dck s PHE 53 Cb 0.00 -1.20 -0.03 0.00 0.51 0.00 0.00 43.02 42.29 3dck s PHE 53 CO 0.00 0.50 -0.14 0.96 0.70 0.00 0.00 175.22 177.25 3dck s ILE 54 N -1.68 1.23 0.01 0.64 -4.36 -0.40 -4.97 121.20 111.67 3dck s ILE 54 Ca 0.22 -1.58 -0.22 0.00 -0.26 0.00 0.00 60.65 58.81 3dck s ILE 54 Cb -0.08 -1.37 -0.05 0.00 1.25 0.00 0.00 42.46 42.20 3dck s ILE 54 CO 0.12 -0.36 0.67 -0.75 0.24 0.00 0.00 174.94 174.86 3dck s LYS 55 N -2.37 4.40 0.22 0.37 2.20 -1.26 -1.61 119.74 121.69 3dck s LYS 55 Ca 0.05 0.87 0.03 0.00 -0.36 0.00 0.00 55.97 56.56 3dck s LYS 55 Cb -0.06 -3.36 -0.05 0.00 -1.51 0.00 0.00 37.83 32.84 3dck s LYS 55 CO 0.02 0.30 0.01 0.14 -0.36 0.00 0.00 175.35 175.47 3dck s VAL 56 N -0.03 0.89 -0.20 4.02 -7.23 0.04 -4.69 120.40 113.19 3dck s VAL 56 Ca 0.35 -2.02 -0.08 0.00 -1.81 0.00 0.00 61.98 58.42 3dck s VAL 56 Cb -0.19 -2.34 -0.04 0.00 0.56 0.00 0.00 36.38 34.37 3dck s VAL 56 CO 0.19 -0.31 0.09 -0.13 -0.31 0.00 0.00 175.10 174.63 3dck s ARG 57 N -3.90 3.97 -0.18 4.82 0.52 -0.24 -1.92 118.95 122.02 3dck s ARG 57 Ca 0.29 -0.34 -0.13 0.00 -0.52 0.00 0.00 55.73 55.03 3dck s ARG 57 Cb 0.06 -3.31 -0.05 0.00 0.52 0.00 0.00 34.95 32.18 3dck s ARG 57 CO 0.08 0.17 0.26 -1.14 0.02 0.00 0.00 175.30 174.69 3dck s GLN 58 N 0.67 4.23 -0.03 3.54 0.74 0.59 0.14 119.66 129.53 3dck s GLN 58 Ca 0.05 0.01 0.07 0.00 0.05 0.00 0.00 55.36 55.53 3dck s GLN 58 Cb -0.13 -3.44 -0.02 0.00 1.10 0.00 0.00 33.01 30.52 3dck s GLN 58 CO 0.01 0.21 -0.22 0.71 -0.55 0.00 0.00 175.29 175.46 3dck s TYR 59 N 0.56 2.45 0.17 1.67 1.51 -0.06 -1.50 117.35 122.15 3dck s TYR 59 Ca 0.14 -0.36 0.05 0.00 -1.01 0.00 0.00 57.07 55.89 3dck s TYR 59 Cb -0.13 -1.55 -0.04 0.00 -0.11 0.00 0.00 41.96 40.14 3dck s TYR 59 CO 0.03 0.02 0.13 -0.51 -1.11 0.00 0.00 175.55 174.12 3dck s ASP 60 N -0.63 5.49 -1.41 2.29 -0.00 -1.26 -1.35 116.67 119.80 3dck s ASP 60 Ca 0.10 -0.15 -0.05 0.00 -0.00 0.00 0.00 52.55 52.45 3dck s ASP 60 Cb -0.10 -1.42 0.03 0.00 -0.00 0.00 0.00 42.92 41.43 3dck s ASP 60 CO -0.00 0.06 0.72 0.00 -0.00 0.00 0.00 175.17 175.94 3dck n GLN 61 N -0.40 -4.62 -3.27 8.23 1.13 -1.12 -4.90 117.38 112.43 3dck n GLN 61 Ca -0.08 0.55 -0.40 0.00 -1.94 0.00 0.00 57.00 55.13 3dck n GLN 61 Cb 0.55 -5.11 -0.08 0.00 0.11 0.00 0.00 30.24 25.71 3dck n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3dck s ILE 62 N -3.62 5.10 0.22 5.09 -1.09 0.06 -4.72 121.20 122.25 3dck s ILE 62 Ca 0.22 0.84 -0.30 0.00 -2.23 0.00 0.00 60.65 59.18 3dck s ILE 62 Cb -0.11 -3.81 -0.09 0.00 -1.58 0.00 0.00 42.46 36.87 3dck s ILE 62 CO 0.84 0.12 1.37 -2.84 -1.23 0.00 0.00 174.94 173.21 3dck s PRO 63 N 2.09 4.33 -0.03 2.79 0.02 -1.26 -1.60 135.00 141.34 3dck s PRO 63 Ca 0.21 2.18 -0.02 0.00 0.02 0.00 0.00 61.00 63.39 3dck s PRO 63 Cb -0.16 -3.15 0.02 0.00 0.02 0.00 0.00 34.50 31.23 3dck s PRO 63 CO 0.09 -0.33 0.07 0.08 -0.33 0.00 0.00 177.00 176.58 3dck s VAL 64 N 0.04 -0.03 -0.14 3.83 1.01 0.31 -4.41 120.40 121.01 3dck s VAL 64 Ca 0.58 0.10 -0.03 0.00 0.00 0.00 0.00 61.98 62.63 3dck s VAL 64 Cb -0.39 -0.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.85 3dck s VAL 64 CO 0.41 0.04 -0.05 -0.70 0.00 0.00 0.00 175.10 174.80 3dck s GLU 65 N 0.55 3.54 -0.21 2.72 2.12 -0.09 -0.01 118.70 127.32 3dck s GLU 65 Ca -0.04 -0.54 0.11 0.00 0.36 0.00 0.00 54.97 54.86 3dck s GLU 65 Cb -0.06 -2.85 0.42 0.00 0.26 0.00 0.00 34.13 31.91 3dck s GLU 65 CO -0.02 0.29 1.22 -0.89 -0.54 0.00 0.00 175.26 175.31 3dck n ILE 66 N 3.38 2.16 0.00 -3.70 5.41 -1.26 -0.24 119.36 125.11 3dck n ILE 66 Ca -0.18 -3.26 0.00 0.00 1.00 0.00 0.00 62.75 60.31 3dck n ILE 66 Cb 0.53 -0.28 0.00 0.00 -0.71 0.00 0.00 39.64 39.18 3dck n ILE 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3dck n GLY 68 N -1.03 0.00 3.62 7.39 0.00 -1.26 -4.76 105.19 109.15 3dck n GLY 68 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 3dck n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3dck s HIS 69 N 0.00 3.26 0.19 1.61 4.02 -1.26 -5.08 115.29 118.03 3dck s HIS 69 Ca 0.00 0.13 -0.30 0.00 1.02 0.00 0.00 55.06 55.91 3dck s HIS 69 Cb 0.00 -2.30 -0.08 0.00 -1.02 0.00 0.00 32.58 29.18 3dck s HIS 69 CO 0.00 -0.05 1.05 0.15 1.02 0.00 0.00 174.74 176.91 3dck s LYS 70 N 1.33 4.66 0.09 1.40 1.02 -1.26 -4.35 119.74 122.64 3dck s LYS 70 Ca 0.07 1.65 -0.01 0.00 0.02 0.00 0.00 55.97 57.70 3dck s LYS 70 Cb -0.15 -3.28 -0.04 0.00 -0.52 0.00 0.00 37.83 33.84 3dck s LYS 70 CO 0.07 0.19 0.01 0.00 -0.92 0.00 0.00 175.35 174.69 3dck s ALA 71 N -0.47 0.73 -0.17 5.17 0.00 0.99 -4.76 121.76 123.25 3dck s ALA 71 Ca 0.47 -1.35 -0.07 0.00 0.00 0.00 0.00 51.96 51.01 3dck s ALA 71 Cb -0.28 0.53 0.07 0.00 0.00 0.00 0.00 23.12 23.44 3dck s ALA 71 CO 0.34 -0.41 0.37 -1.50 0.00 0.00 0.00 175.76 174.57 3dck s ILE 72 N -3.94 -0.40 -0.05 0.00 2.07 -1.26 -0.53 121.20 117.09 3dck s ILE 72 Ca 0.15 0.17 0.00 0.00 -1.41 0.00 0.00 60.65 59.56 3dck s ILE 72 Cb 0.08 -0.59 0.00 0.00 0.13 0.00 0.00 42.46 42.08 3dck s ILE 72 CO -0.04 0.07 0.00 0.61 -1.91 0.00 0.00 174.94 173.67 3dck n GLY 73 N 5.01 -0.61 3.73 1.50 0.00 -0.63 -4.85 105.19 109.35 3dck n GLY 73 Ca -0.13 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 3dck n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dck s THR 74 N -3.21 4.44 -0.04 2.61 2.01 -1.26 -0.76 115.64 119.43 3dck s THR 74 Ca 0.00 2.05 0.04 0.00 0.31 0.00 0.00 61.69 64.08 3dck s THR 74 Cb 0.00 -4.31 -0.00 0.00 0.01 0.00 0.00 72.50 68.20 3dck s THR 74 CO 0.00 0.32 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.42 3dck s VAL 75 N -0.06 1.23 -0.11 3.82 1.01 -0.46 -4.41 120.40 121.41 3dck s VAL 75 Ca 0.47 -0.60 -0.04 0.00 0.00 0.00 0.00 61.98 61.81 3dck s VAL 75 Cb -0.24 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 3dck s VAL 75 CO 0.30 0.36 0.03 -0.76 0.00 0.00 0.00 175.10 175.03 3dck s LEU 76 N 0.13 3.73 -0.12 3.92 1.43 0.39 -0.88 118.68 127.27 3dck s LEU 76 Ca -0.04 0.16 0.02 0.00 -1.03 0.00 0.00 54.13 53.24 3dck s LEU 76 Cb -0.11 -1.88 0.00 0.00 0.03 0.00 0.00 46.19 44.23 3dck s LEU 76 CO 0.02 0.33 -0.20 -0.69 0.23 0.00 0.00 176.35 176.03 3dck s VAL 77 N -0.58 2.30 0.04 -1.59 1.01 0.12 -0.27 120.40 121.43 3dck s VAL 77 Ca 0.10 -0.92 -0.21 0.00 0.00 0.00 0.00 61.98 60.95 3dck s VAL 77 Cb -0.12 -1.92 0.07 0.00 0.00 0.00 0.00 36.38 34.41 3dck s VAL 77 CO 0.02 0.54 0.99 0.61 0.00 0.00 0.00 175.10 177.26 3dck n GLY 78 N 3.77 0.43 3.57 4.51 0.00 -0.79 -1.08 105.19 115.60 3dck n GLY 78 Ca -0.19 -1.04 -0.43 0.00 0.00 0.00 0.00 46.02 44.36 3dck n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dck s PRO 79 N -2.02 3.95 0.02 1.61 0.04 -1.26 -2.76 135.00 134.57 3dck s PRO 79 Ca 0.23 -1.92 0.03 0.00 0.04 0.00 0.00 61.00 59.38 3dck s PRO 79 Cb -0.01 -5.50 -0.04 0.00 0.04 0.00 0.00 34.50 28.99 3dck s PRO 79 CO 0.01 -2.24 -0.02 -0.08 0.04 0.00 0.00 177.00 174.71 3dck s THR 80 N 4.23 3.98 0.40 1.26 -1.32 -1.26 -5.02 115.64 117.90 3dck s THR 80 Ca 0.53 -0.72 0.26 0.00 -1.21 0.00 0.00 61.69 60.54 3dck s THR 80 Cb 0.03 -2.78 0.27 0.00 -1.51 0.00 0.00 72.50 68.51 3dck s THR 80 CO 0.06 0.34 2.04 -0.65 -2.21 0.00 0.00 174.62 174.20 3dck h PRO 81 N 4.24 0.00 -3.50 7.08 0.11 -2.00 -3.44 132.00 134.49 3dck h PRO 81 Ca -0.49 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.39 3dck h PRO 81 Cb 1.17 0.00 -0.30 0.00 0.11 0.00 0.00 31.00 31.98 3dck h PRO 81 CO 0.57 0.14 -0.65 0.08 -0.21 0.00 0.00 178.00 177.92 3dck s VAL 82 N -4.20 -0.02 0.27 3.15 1.01 -1.26 -5.10 120.40 114.24 3dck s VAL 82 Ca -0.03 0.09 -0.30 0.00 0.00 0.00 0.00 61.98 61.74 3dck s VAL 82 Cb 0.13 -0.12 -0.10 0.00 0.00 0.00 0.00 36.38 36.29 3dck s VAL 82 CO 0.60 0.03 1.34 0.20 0.00 0.00 0.00 175.10 177.28 3dck s ASN 83 N 0.50 6.78 -0.13 3.32 0.01 -1.26 -4.79 114.94 119.37 3dck s ASN 83 Ca -0.04 2.59 0.01 0.00 -0.71 0.00 0.00 52.86 54.71 3dck s ASN 83 Cb -0.05 -2.63 0.02 0.00 0.41 0.00 0.00 41.25 39.00 3dck s ASN 83 CO -0.02 -0.57 -0.13 -0.63 -1.51 0.00 0.00 177.10 174.24 3dck s ILE 84 N -0.44 1.41 -0.30 0.60 1.01 0.13 -0.68 121.20 122.93 3dck s ILE 84 Ca 0.54 -0.55 -0.14 0.00 0.00 0.00 0.00 60.65 60.50 3dck s ILE 84 Cb -0.39 -1.33 -0.03 0.00 0.01 0.00 0.00 42.46 40.72 3dck s ILE 84 CO 0.45 0.43 0.32 -0.63 0.00 0.00 0.00 174.94 175.52 3dck s ILE 85 N 1.38 5.21 0.56 2.92 -1.09 0.41 -0.68 121.20 129.89 3dck s ILE 85 Ca 0.01 0.25 0.09 0.00 -2.23 0.00 0.00 60.65 58.77 3dck s ILE 85 Cb -0.13 -3.71 0.09 0.00 -1.58 0.00 0.00 42.46 37.12 3dck s ILE 85 CO -0.07 0.07 0.74 0.61 -1.23 0.00 0.00 174.94 175.06 3dck n GLY 86 N 4.89 2.05 0.26 6.18 0.00 -1.21 -0.66 105.19 116.69 3dck n GLY 86 Ca -0.10 -2.23 0.12 0.00 0.00 0.00 0.00 46.02 43.81 3dck n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3dck h ARG 87 N 0.00 0.00 -0.23 1.61 3.08 -0.96 -1.37 114.38 116.50 3dck h ARG 87 Ca -0.27 0.00 0.03 0.00 0.07 0.00 0.00 59.98 59.81 3dck h ARG 87 Cb 1.21 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.25 3dck h ARG 87 CO 0.39 0.14 0.16 -2.95 -1.07 0.00 0.00 179.97 176.64 3dck h ASN 88 N 0.00 0.16 0.00 7.04 -1.07 -1.74 -2.01 115.58 117.96 3dck h ASN 88 Ca -0.00 -0.00 -0.36 0.00 0.07 0.00 0.00 56.30 56.00 3dck h ASN 88 Cb 0.38 -0.04 -0.07 0.00 -2.07 0.00 0.00 38.32 36.52 3dck h ASN 88 CO 0.02 0.11 -2.36 0.18 0.07 0.00 0.00 177.43 175.45 3dck n LEU 89 N -4.50 0.03 0.10 6.14 4.77 -0.85 -4.36 117.00 118.33 3dck n LEU 89 Ca 0.01 -0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.01 3dck n LEU 89 Cb 0.17 0.47 0.38 0.00 -2.33 0.00 0.00 43.42 42.11 3dck n LEU 89 CO 0.35 0.49 0.90 -0.07 -1.33 0.00 0.00 177.39 177.73 3dck h LEU 90 N 0.00 0.27 -0.99 2.23 3.38 -0.98 -1.52 115.31 117.71 3dck h LEU 90 Ca -0.54 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.27 3dck h LEU 90 Cb 2.22 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.88 3dck h LEU 90 CO 0.03 0.41 -0.50 0.71 0.09 0.00 0.00 178.44 179.18 3dck h THR 91 N 0.28 1.36 0.00 0.22 1.35 -1.58 -2.85 112.91 111.69 3dck h THR 91 Ca 0.06 -1.71 -0.07 0.00 -0.55 0.00 0.00 66.41 64.14 3dck h THR 91 Cb 0.36 1.92 -0.01 0.00 -1.73 0.00 0.00 68.15 68.68 3dck h THR 91 CO 0.02 0.49 -0.32 1.56 -0.25 0.00 0.00 175.52 177.02 3dck h GLN 92 N 0.02 0.00 -0.15 4.72 4.20 -1.48 -1.92 115.11 120.50 3dck h GLN 92 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3dck h GLN 92 Cb 0.89 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.67 3dck h GLN 92 CO 0.07 0.32 0.00 0.44 -0.67 0.00 0.00 178.83 178.98 3dck n ILE 93 N -3.49 0.18 -1.46 2.54 -5.35 -1.10 -4.94 119.36 105.75 3dck n ILE 93 Ca -0.00 -0.47 -0.00 0.00 -0.27 0.00 0.00 62.75 62.01 3dck n ILE 93 Cb 0.48 0.85 -0.00 0.00 -1.74 0.00 0.00 39.64 39.22 3dck n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3dck n GLY 94 N 1.29 -3.77 0.00 3.28 0.00 -0.72 -5.11 105.19 100.17 3dck n GLY 94 Ca 0.17 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3dck n GLY 94 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3dck n THR 96 N 0.58 0.00 -3.33 2.61 -2.24 -1.26 -5.04 114.28 105.59 3dck n THR 96 Ca -0.01 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.38 3dck n THR 96 Cb 0.02 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.19 3dck n THR 96 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3dck s LEU 97 N 0.00 4.49 -0.01 3.22 1.43 -1.26 -5.10 118.68 121.44 3dck s LEU 97 Ca 0.00 1.14 0.01 0.00 -1.03 0.00 0.00 54.13 54.25 3dck s LEU 97 Cb 0.00 -2.80 0.01 0.00 0.03 0.00 0.00 46.19 43.43 3dck s LEU 97 CO 0.00 0.25 -0.01 0.20 0.23 0.00 0.00 176.35 177.02 3dck s ASN 98 N -0.88 0.36 0.00 2.29 -0.87 -1.26 -5.30 114.94 109.28 3dck s ASN 98 Ca 0.28 -0.04 0.00 0.00 -1.57 0.00 0.00 52.86 51.53 3dck s ASN 98 Cb -0.18 -0.12 0.00 0.00 -0.02 0.00 0.00 41.25 40.93 3dck s ASN 98 CO 0.17 -0.03 0.00 2.22 -2.57 0.00 0.00 177.10 176.89