#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d4k s GLN 2 N 0.00 4.16 -0.21 0.54 0.74 -1.26 -5.07 119.66 118.56 1d4k s GLN 2 Ca 0.00 0.02 -0.00 0.00 0.05 0.00 0.00 55.36 55.43 1d4k s GLN 2 Cb 0.00 -3.51 0.02 0.00 1.10 0.00 0.00 33.01 30.62 1d4k s GLN 2 CO 0.00 0.05 -0.13 0.42 -0.55 0.00 0.00 175.29 175.09 1d4k s ILE 3 N 1.04 2.52 0.71 -2.34 1.01 -1.26 -5.12 121.20 117.77 1d4k s ILE 3 Ca 0.15 -0.92 -0.11 0.00 0.00 0.00 0.00 60.65 59.76 1d4k s ILE 3 Cb -0.14 -2.16 0.02 0.00 0.01 0.00 0.00 42.46 40.19 1d4k s ILE 3 CO 0.06 0.39 1.10 0.42 0.00 0.00 0.00 174.94 176.91 1d4k s THR 4 N 1.32 3.43 -0.29 2.92 -4.23 -1.26 -5.02 115.64 112.51 1d4k s THR 4 Ca 0.03 0.46 0.11 0.00 -1.18 0.00 0.00 61.69 61.11 1d4k s THR 4 Cb -0.15 -3.44 0.57 0.00 1.34 0.00 0.00 72.50 70.83 1d4k s THR 4 CO -0.08 -0.61 1.57 0.18 -0.54 0.00 0.00 174.62 175.14 1d4k n LEU 5 N -3.05 4.73 0.08 4.79 4.77 -1.26 -4.54 117.00 122.53 1d4k n LEU 5 Ca 0.07 -3.46 -0.03 0.00 -0.03 0.00 0.00 56.01 52.56 1d4k n LEU 5 Cb 0.57 -0.66 0.21 0.00 -2.33 0.00 0.00 43.42 41.22 1d4k n LEU 5 CO 0.57 1.00 0.64 -0.50 -1.33 0.00 0.00 177.39 177.78 1d4k h TRP 6 N 1.49 0.32 -1.75 -1.77 4.06 -2.06 -3.44 115.95 112.80 1d4k h TRP 6 Ca 0.22 -0.09 -0.60 0.00 2.06 0.00 0.00 58.89 60.48 1d4k h TRP 6 Cb 1.87 -0.07 -0.11 0.00 -1.00 0.00 0.00 29.16 29.85 1d4k h TRP 6 CO 1.00 0.64 -0.59 0.15 -3.56 0.00 0.00 178.44 176.09 1d4k s LYS 7 N -4.17 2.03 0.21 0.49 1.02 -1.26 -5.09 119.74 112.97 1d4k s LYS 7 Ca -0.05 -1.94 -0.30 0.00 0.02 0.00 0.00 55.97 53.70 1d4k s LYS 7 Cb 0.13 -1.80 -0.10 0.00 -0.52 0.00 0.00 37.83 35.55 1d4k s LYS 7 CO 0.78 0.01 1.44 1.03 -0.92 0.00 0.00 175.35 177.68 1d4k s ARG 8 N -3.74 4.28 -0.90 1.68 0.52 -1.26 -4.86 118.95 114.68 1d4k s ARG 8 Ca 0.36 2.25 -0.14 0.00 -0.52 0.00 0.00 55.73 57.68 1d4k s ARG 8 Cb 0.05 -3.14 -0.10 0.00 0.52 0.00 0.00 34.95 32.28 1d4k s ARG 8 CO 0.19 -0.43 2.05 -0.35 0.02 0.00 0.00 175.30 176.78 1d4k n PRO 9 N 2.84 1.89 -3.14 3.54 -0.04 -1.26 -4.89 135.00 133.94 1d4k n PRO 9 Ca 0.08 -1.73 -0.40 0.00 -0.04 0.00 0.00 63.50 61.42 1d4k n PRO 9 Cb 0.40 -2.73 -0.06 0.00 -0.04 0.00 0.00 33.50 31.08 1d4k n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1d4k s LEU 10 N 0.74 4.20 0.23 1.53 1.43 -1.26 -1.65 118.68 123.90 1d4k s LEU 10 Ca 0.49 0.90 0.06 0.00 -1.03 0.00 0.00 54.13 54.55 1d4k s LEU 10 Cb 0.13 -2.89 -0.05 0.00 0.03 0.00 0.00 46.19 43.40 1d4k s LEU 10 CO 0.03 -0.19 -0.07 0.68 0.23 0.00 0.00 176.35 177.03 1d4k s VAL 11 N 1.45 1.42 -0.14 -1.59 -7.23 -0.19 -4.92 120.40 109.20 1d4k s VAL 11 Ca 0.30 -2.11 -0.20 0.00 -1.81 0.00 0.00 61.98 58.16 1d4k s VAL 11 Cb -0.16 -2.24 -0.03 0.00 0.56 0.00 0.00 36.38 34.51 1d4k s VAL 11 CO 0.12 -0.44 0.59 -0.89 -0.31 0.00 0.00 175.10 174.17 1d4k s THR 12 N -3.17 5.09 0.31 5.32 2.01 -1.26 -0.59 115.64 123.36 1d4k s THR 12 Ca 0.26 1.16 0.10 0.00 0.31 0.00 0.00 61.69 63.52 1d4k s THR 12 Cb 0.03 -3.92 -0.05 0.00 0.01 0.00 0.00 72.50 68.57 1d4k s THR 12 CO 0.08 0.23 -0.08 0.27 -0.69 0.00 0.00 174.62 174.43 1d4k s ILE 13 N 1.16 2.61 -0.15 1.82 -4.36 0.21 -4.72 121.20 117.77 1d4k s ILE 13 Ca 0.30 -2.14 0.00 0.00 -0.26 0.00 0.00 60.65 58.55 1d4k s ILE 13 Cb -0.16 -2.63 0.03 0.00 1.25 0.00 0.00 42.46 40.95 1d4k s ILE 13 CO 0.12 -0.28 -0.10 -0.60 0.24 0.00 0.00 174.94 174.33 1d4k s ARG 14 N -3.63 1.84 -0.05 0.37 3.52 -0.46 -0.38 118.95 120.15 1d4k s ARG 14 Ca 0.32 -0.51 -0.02 0.00 -0.13 0.00 0.00 55.73 55.39 1d4k s ARG 14 Cb -0.02 -1.99 0.04 0.00 -1.56 0.00 0.00 34.95 31.42 1d4k s ARG 14 CO 0.18 -0.32 0.12 -1.50 -0.81 0.00 0.00 175.30 172.96 1d4k s ILE 15 N 1.57 -0.05 -1.52 4.11 2.07 0.69 -2.03 121.20 126.04 1d4k s ILE 15 Ca 0.03 0.18 -0.00 0.00 -1.41 0.00 0.00 60.65 59.45 1d4k s ILE 15 Cb -0.14 -0.20 0.00 0.00 0.13 0.00 0.00 42.46 42.25 1d4k s ILE 15 CO -0.09 0.08 0.04 0.61 -1.91 0.00 0.00 174.94 173.67 1d4k n GLY 16 N 4.16 -0.37 2.83 1.50 0.00 -1.26 -1.18 105.19 110.87 1d4k n GLY 16 Ca -0.26 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1d4k n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d4k n GLY 17 N -1.05 2.77 3.88 -0.02 0.00 -1.26 -5.01 105.19 104.50 1d4k n GLY 17 Ca -0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 1d4k n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1d4k s GLN 18 N -0.09 3.59 -0.14 1.61 -0.21 -0.32 -5.09 119.66 119.01 1d4k s GLN 18 Ca 0.00 -0.05 -0.13 0.00 0.02 0.00 0.00 55.36 55.20 1d4k s GLN 18 Cb 0.00 -3.08 -0.05 0.00 1.00 0.00 0.00 33.01 30.88 1d4k s GLN 18 CO 0.00 0.65 0.30 -0.51 -2.12 0.00 0.00 175.29 173.61 1d4k s LEU 19 N -1.71 4.29 0.10 2.90 1.43 -1.26 -0.22 118.68 124.21 1d4k s LEU 19 Ca 0.27 0.57 -0.02 0.00 -1.03 0.00 0.00 54.13 53.92 1d4k s LEU 19 Cb -0.13 -2.38 -0.04 0.00 0.03 0.00 0.00 46.19 43.67 1d4k s LEU 19 CO 0.15 0.16 0.04 -0.54 0.23 0.00 0.00 176.35 176.39 1d4k s LYS 20 N 0.13 0.82 -0.18 1.70 1.02 0.48 -4.97 119.74 118.75 1d4k s LYS 20 Ca 0.17 -1.34 -0.08 0.00 0.02 0.00 0.00 55.97 54.75 1d4k s LYS 20 Cb -0.13 0.24 -0.04 0.00 -0.52 0.00 0.00 37.83 37.37 1d4k s LYS 20 CO 0.05 -0.21 0.09 -1.21 -0.92 0.00 0.00 175.35 173.14 1d4k s GLU 21 N -4.00 3.94 0.06 1.68 2.02 -1.26 0.67 118.70 121.82 1d4k s GLU 21 Ca 0.17 -0.29 0.02 0.00 0.02 0.00 0.00 54.97 54.90 1d4k s GLU 21 Cb 0.07 -3.25 -0.03 0.00 0.10 0.00 0.00 34.13 31.02 1d4k s GLU 21 CO -0.03 0.35 -0.08 0.00 0.02 0.00 0.00 175.26 175.52 1d4k s ALA 22 N 0.16 0.77 -0.18 5.21 0.00 0.24 -4.37 121.76 123.60 1d4k s ALA 22 Ca 0.06 -0.97 -0.18 0.00 0.00 0.00 0.00 51.96 50.88 1d4k s ALA 22 Cb -0.12 0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 1d4k s ALA 22 CO -0.00 -0.06 0.48 -1.17 0.00 0.00 0.00 175.76 175.00 1d4k s LEU 23 N -2.04 4.18 -0.67 0.00 2.96 0.86 -1.02 118.68 122.95 1d4k s LEU 23 Ca -0.03 0.67 -0.27 0.00 -0.22 0.00 0.00 54.13 54.28 1d4k s LEU 23 Cb -0.06 -2.66 0.02 0.00 0.50 0.00 0.00 46.19 44.00 1d4k s LEU 23 CO -0.01 -0.11 1.34 -0.76 -1.32 0.00 0.00 176.35 175.50 1d4k s LEU 24 N 1.29 3.27 -0.38 -0.68 1.43 -0.66 -0.87 118.68 122.08 1d4k s LEU 24 Ca 0.23 -0.14 -0.08 0.00 -1.03 0.00 0.00 54.13 53.11 1d4k s LEU 24 Cb -0.15 -2.76 0.06 0.00 0.03 0.00 0.00 46.19 43.37 1d4k s LEU 24 CO 0.09 -1.80 0.19 -0.62 0.23 0.00 0.00 176.35 174.45 1d4k s ASP 25 N 4.11 5.51 0.24 2.29 -1.08 -0.39 -4.82 116.67 122.52 1d4k s ASP 25 Ca 0.43 -1.34 0.26 0.00 -0.52 0.00 0.00 52.55 51.37 1d4k s ASP 25 Cb -0.09 -1.94 0.84 0.00 -1.46 0.00 0.00 42.92 40.28 1d4k s ASP 25 CO 0.19 -0.44 1.76 0.71 0.52 0.00 0.00 175.17 177.91 1d4k h THR 26 N 6.11 0.00 -0.02 1.71 1.35 -1.93 -3.09 112.91 117.04 1d4k h THR 26 Ca -0.23 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 1d4k h THR 26 Cb 1.08 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.88 1d4k h THR 26 CO 0.69 0.00 -0.05 0.61 -0.25 0.00 0.00 175.52 176.52 1d4k n GLY 27 N 0.98 0.08 3.57 5.82 0.00 -1.26 -4.83 105.19 109.54 1d4k n GLY 27 Ca 0.05 -0.48 -0.36 0.00 0.00 0.00 0.00 46.02 45.22 1d4k n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d4k s ALA 28 N -2.08 3.36 0.18 4.61 0.00 -1.17 -4.99 121.76 121.68 1d4k s ALA 28 Ca 0.34 -0.95 -0.09 0.00 0.00 0.00 0.00 51.96 51.27 1d4k s ALA 28 Cb 0.21 -2.11 0.08 0.00 0.00 0.00 0.00 23.12 21.30 1d4k s ALA 28 CO 0.36 -0.21 1.63 -0.44 0.00 0.00 0.00 175.76 177.10 1d4k h ASP 29 N 7.58 1.02 -1.26 0.00 3.32 -1.88 -0.67 116.42 124.53 1d4k h ASP 29 Ca -0.37 -0.32 -0.64 0.00 0.02 0.00 0.00 57.03 55.72 1d4k h ASP 29 Cb 1.17 -0.28 -0.13 0.00 0.22 0.00 0.00 39.33 40.32 1d4k h ASP 29 CO 0.63 1.11 -0.57 -1.81 -1.72 0.00 0.00 179.24 176.88 1d4k s ASP 30 N -6.63 3.98 -0.26 6.45 1.01 -1.26 -2.75 116.67 117.21 1d4k s ASP 30 Ca -0.11 -1.44 -0.11 0.00 0.71 0.00 0.00 52.55 51.60 1d4k s ASP 30 Cb 0.13 -0.12 -0.05 0.00 1.01 0.00 0.00 42.92 43.89 1d4k s ASP 30 CO 0.86 -0.58 0.17 -0.89 0.21 0.00 0.00 175.17 174.94 1d4k s THR 31 N -2.76 5.31 -0.13 -1.27 2.01 -1.26 -3.24 115.64 114.30 1d4k s THR 31 Ca 0.26 0.17 0.01 0.00 0.31 0.00 0.00 61.69 62.44 1d4k s THR 31 Cb 0.07 -3.50 0.02 0.00 0.01 0.00 0.00 72.50 69.10 1d4k s THR 31 CO 0.14 0.30 -0.13 0.54 -0.69 0.00 0.00 174.62 174.77 1d4k s VAL 32 N 1.41 1.45 0.09 3.82 0.11 -0.59 -1.00 120.40 125.70 1d4k s VAL 32 Ca 0.07 -0.57 0.06 0.00 -2.93 0.00 0.00 61.98 58.61 1d4k s VAL 32 Cb -0.15 -1.36 -0.04 0.00 -1.53 0.00 0.00 36.38 33.30 1d4k s VAL 32 CO 0.08 0.44 -0.04 0.27 -3.33 0.00 0.00 175.10 172.51 1d4k s ILE 33 N 1.40 3.76 0.69 7.04 -4.36 0.47 -0.04 121.20 130.15 1d4k s ILE 33 Ca 0.02 -1.08 -0.17 0.00 -0.26 0.00 0.00 60.65 59.16 1d4k s ILE 33 Cb -0.13 -2.77 0.01 0.00 1.25 0.00 0.00 42.46 40.82 1d4k s ILE 33 CO -0.08 0.13 1.26 -1.61 0.24 0.00 0.00 174.94 174.88 1d4k s GLU 34 N -2.23 2.32 -0.07 0.37 2.02 -1.26 -2.01 118.70 117.85 1d4k s GLU 34 Ca 0.24 1.96 -0.39 0.00 0.02 0.00 0.00 54.97 56.79 1d4k s GLU 34 Cb -0.11 -1.83 -0.17 0.00 0.10 0.00 0.00 34.13 32.11 1d4k s GLU 34 CO 0.16 -1.75 1.41 0.39 0.02 0.00 0.00 175.26 175.49 1d4k n GLU 35 N -2.29 0.83 -3.71 1.61 -0.58 -1.16 -4.64 120.64 110.71 1d4k n GLU 35 Ca 0.15 0.30 -0.07 0.00 -0.42 0.00 0.00 57.16 57.12 1d4k n GLU 35 Cb 0.49 -1.91 -0.02 0.00 -0.57 0.00 0.00 31.44 29.43 1d4k n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1d4k s MET 36 N 1.33 1.40 -0.36 3.49 0.23 -1.26 -5.03 119.30 119.09 1d4k s MET 36 Ca 0.91 -0.71 -0.21 0.00 -1.03 0.00 0.00 55.69 54.64 1d4k s MET 36 Cb -1.09 0.51 0.01 0.00 -1.53 0.00 0.00 34.83 32.73 1d4k s MET 36 CO 0.56 -0.63 0.67 0.54 -2.03 0.00 0.00 175.02 174.13 1d4k s ASN 37 N -2.85 6.45 -0.05 -1.18 4.22 -1.26 -5.05 114.94 115.22 1d4k s ASN 37 Ca 0.09 0.17 0.04 0.00 -2.14 0.00 0.00 52.86 51.03 1d4k s ASN 37 Cb -0.03 -2.34 -0.02 0.00 1.28 0.00 0.00 41.25 40.13 1d4k s ASN 37 CO 0.00 -0.64 -0.18 -0.76 -2.04 0.00 0.00 177.10 173.49 1d4k s LEU 38 N 2.81 2.52 0.64 3.54 1.43 -1.26 -5.01 118.68 123.35 1d4k s LEU 38 Ca 0.26 -0.30 -0.18 0.00 -1.03 0.00 0.00 54.13 52.88 1d4k s LEU 38 Cb -0.14 -1.50 -0.01 0.00 0.03 0.00 0.00 46.19 44.57 1d4k s LEU 38 CO 0.15 0.31 1.22 -2.84 0.23 0.00 0.00 176.35 175.42 1d4k s PRO 39 N -0.51 2.69 0.00 1.29 0.02 -1.26 -4.91 135.00 132.33 1d4k s PRO 39 Ca 0.07 1.84 0.00 0.00 0.02 0.00 0.00 61.00 62.93 1d4k s PRO 39 Cb -0.12 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.51 1d4k s PRO 39 CO 0.01 -1.43 0.00 0.41 -0.33 0.00 0.00 177.00 175.66 1d4k n GLY 40 N 0.51 0.38 3.77 0.52 0.00 -1.26 -4.98 105.19 104.14 1d4k n GLY 40 Ca 0.14 -1.82 -0.37 0.00 0.00 0.00 0.00 46.02 43.97 1d4k n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d4k s LYS 41 N -2.22 3.84 0.12 1.61 3.01 -1.26 -5.06 119.74 119.78 1d4k s LYS 41 Ca 0.00 1.69 0.05 0.00 -1.01 0.00 0.00 55.97 56.70 1d4k s LYS 41 Cb 0.00 -2.41 -0.04 0.00 -1.01 0.00 0.00 37.83 34.37 1d4k s LYS 41 CO 0.00 -0.46 -0.13 1.67 0.51 0.00 0.00 175.35 176.94 1d4k s TRP 42 N -1.60 1.31 -0.08 3.18 1.48 -1.26 -4.61 118.94 117.36 1d4k s TRP 42 Ca 0.63 -0.59 0.04 0.00 -1.06 0.00 0.00 56.10 55.11 1d4k s TRP 42 Cb -0.26 -0.69 -0.01 0.00 -1.16 0.00 0.00 33.47 31.35 1d4k s TRP 42 CO 0.32 0.11 -0.21 0.15 -4.06 0.00 0.00 176.95 173.26 1d4k s LYS 43 N -2.79 2.78 0.30 3.25 -0.14 -0.29 -4.86 119.74 118.00 1d4k s LYS 43 Ca 0.09 -0.82 -0.29 0.00 -1.36 0.00 0.00 55.97 53.58 1d4k s LYS 43 Cb -0.04 -2.31 -0.10 0.00 -1.68 0.00 0.00 37.83 33.70 1d4k s LYS 43 CO 0.02 0.36 1.37 -2.14 -0.76 0.00 0.00 175.35 174.20 1d4k s PRO 44 N -0.09 4.30 0.12 -1.68 0.02 -1.26 0.14 135.00 136.55 1d4k s PRO 44 Ca -0.05 2.27 -0.06 0.00 0.02 0.00 0.00 61.00 63.19 1d4k s PRO 44 Cb -0.14 -3.08 -0.02 0.00 0.02 0.00 0.00 34.50 31.28 1d4k s PRO 44 CO 0.04 -0.30 0.15 0.15 -0.33 0.00 0.00 177.00 176.71 1d4k s LYS 45 N -1.24 0.93 -0.12 5.54 1.02 0.50 -4.86 119.74 121.51 1d4k s LYS 45 Ca 0.53 -1.18 0.00 0.00 0.02 0.00 0.00 55.97 55.34 1d4k s LYS 45 Cb -0.41 0.31 0.02 0.00 -0.52 0.00 0.00 37.83 37.23 1d4k s LYS 45 CO 0.50 -0.29 -0.10 -1.64 -0.92 0.00 0.00 175.35 172.90 1d4k s MET 46 N -3.95 1.78 0.17 1.68 -1.94 -1.26 -0.04 119.30 115.74 1d4k s MET 46 Ca 0.14 -0.36 0.11 0.00 -1.71 0.00 0.00 55.69 53.86 1d4k s MET 46 Cb 0.05 -1.73 -0.04 0.00 2.01 0.00 0.00 34.83 35.12 1d4k s MET 46 CO -0.04 -0.23 -0.21 0.96 -0.01 0.00 0.00 175.02 175.49 1d4k s ILE 47 N 1.53 2.54 0.05 2.53 -4.36 -0.77 -4.96 121.20 117.77 1d4k s ILE 47 Ca 0.03 -1.84 0.06 0.00 -0.26 0.00 0.00 60.65 58.64 1d4k s ILE 47 Cb -0.13 -2.20 -0.02 0.00 1.25 0.00 0.00 42.46 41.36 1d4k s ILE 47 CO -0.08 -0.04 -0.18 -0.83 0.24 0.00 0.00 174.94 174.05 1d4k s GLY 48 N -2.49 1.01 0.00 6.27 0.00 -1.26 -0.82 107.32 110.02 1d4k s GLY 48 Ca 0.20 -0.99 0.00 0.00 0.00 0.00 0.00 44.72 43.93 1d4k s GLY 48 CO 0.10 -0.94 0.00 0.61 0.00 0.00 0.00 173.10 172.87 1d4k n GLY 49 N 1.80 5.40 3.60 0.20 0.00 -0.71 -5.00 105.19 110.47 1d4k n GLY 49 Ca -0.18 -1.09 -0.41 0.00 0.00 0.00 0.00 46.02 44.34 1d4k n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1d4k s ILE 50 N 1.04 4.87 0.00 -0.61 1.01 -1.26 -3.63 121.20 122.62 1d4k s ILE 50 Ca 0.00 0.96 0.00 0.00 0.00 0.00 0.00 60.65 61.61 1d4k s ILE 50 Cb 0.00 -4.07 0.00 0.00 0.01 0.00 0.00 42.46 38.40 1d4k s ILE 50 CO 0.00 -0.21 0.00 0.61 0.00 0.00 0.00 174.94 175.34 1d4k n GLY 51 N 4.36 1.34 0.00 6.18 0.00 -1.26 -5.06 105.19 110.76 1d4k n GLY 51 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1d4k n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d4k n GLY 52 N 0.00 0.02 3.81 -0.02 0.00 -1.24 -5.12 105.19 102.63 1d4k n GLY 52 Ca 0.00 -1.62 -0.33 0.00 0.00 0.00 0.00 46.02 44.07 1d4k n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1d4k s PHE 53 N -2.45 3.34 0.12 1.61 0.40 -1.26 -1.75 117.98 117.99 1d4k s PHE 53 Ca 0.00 0.24 0.04 0.00 -0.60 0.00 0.00 56.93 56.61 1d4k s PHE 53 Cb 0.00 -1.76 -0.04 0.00 0.51 0.00 0.00 43.02 41.73 1d4k s PHE 53 CO 0.00 0.57 -0.10 0.96 0.70 0.00 0.00 175.22 177.35 1d4k s ILE 54 N -1.22 1.06 -0.16 0.64 -4.36 -0.00 -4.99 121.20 112.17 1d4k s ILE 54 Ca 0.24 -1.81 -0.14 0.00 -0.26 0.00 0.00 60.65 58.67 1d4k s ILE 54 Cb -0.12 -1.57 -0.05 0.00 1.25 0.00 0.00 42.46 41.97 1d4k s ILE 54 CO 0.15 -0.62 0.29 -1.59 0.24 0.00 0.00 174.94 173.41 1d4k s LYS 55 N -3.16 4.26 0.22 0.37 0.00 -1.26 -1.84 119.74 118.32 1d4k s LYS 55 Ca 0.10 0.09 0.05 0.00 0.00 0.00 0.00 55.97 56.21 1d4k s LYS 55 Cb -0.01 -3.43 -0.05 0.00 0.00 0.00 0.00 37.83 34.34 1d4k s LYS 55 CO 0.00 0.22 -0.06 0.14 0.00 0.00 0.00 175.35 175.66 1d4k s VAL 56 N 0.51 1.30 -0.28 1.79 -7.23 0.94 -4.56 120.40 112.87 1d4k s VAL 56 Ca 0.16 -2.08 -0.09 0.00 -1.81 0.00 0.00 61.98 58.16 1d4k s VAL 56 Cb -0.13 -2.21 -0.03 0.00 0.56 0.00 0.00 36.38 34.57 1d4k s VAL 56 CO 0.04 -0.45 0.13 -0.13 -0.31 0.00 0.00 175.10 174.38 1d4k s ARG 57 N -3.78 3.65 -0.25 4.82 0.52 0.47 -0.37 118.95 124.02 1d4k s ARG 57 Ca 0.25 -0.50 -0.18 0.00 -0.52 0.00 0.00 55.73 54.78 1d4k s ARG 57 Cb 0.04 -3.51 -0.03 0.00 0.52 0.00 0.00 34.95 31.97 1d4k s ARG 57 CO 0.07 -0.26 0.53 -1.14 0.02 0.00 0.00 175.30 174.52 1d4k s GLN 58 N 1.66 4.09 -0.10 3.54 0.74 0.12 -0.74 119.66 128.98 1d4k s GLN 58 Ca 0.06 0.36 0.00 0.00 0.05 0.00 0.00 55.36 55.83 1d4k s GLN 58 Cb -0.16 -3.64 -0.03 0.00 1.10 0.00 0.00 33.01 30.28 1d4k s GLN 58 CO 0.07 -0.33 -0.08 0.71 -0.55 0.00 0.00 175.29 175.10 1d4k s TYR 59 N 2.25 2.90 0.18 1.67 1.51 -0.41 -1.14 117.35 124.31 1d4k s TYR 59 Ca 0.22 -0.20 0.05 0.00 -1.01 0.00 0.00 57.07 56.14 1d4k s TYR 59 Cb -0.16 -1.78 -0.04 0.00 -0.11 0.00 0.00 41.96 39.88 1d4k s TYR 59 CO 0.09 0.13 0.14 -0.51 -1.11 0.00 0.00 175.55 174.29 1d4k s ASP 60 N -0.32 5.48 -1.47 2.29 1.01 -1.26 -1.07 116.67 121.33 1d4k s ASP 60 Ca 0.04 -0.16 -0.02 0.00 0.71 0.00 0.00 52.55 53.12 1d4k s ASP 60 Cb -0.13 -1.41 0.02 0.00 1.01 0.00 0.00 42.92 42.41 1d4k s ASP 60 CO 0.02 0.05 0.35 0.00 0.21 0.00 0.00 175.17 175.81 1d4k n GLN 61 N -0.47 -2.69 -3.33 8.23 6.02 -1.20 -4.90 117.38 119.04 1d4k n GLN 61 Ca -0.08 0.32 -0.39 0.00 -0.01 0.00 0.00 57.00 56.84 1d4k n GLN 61 Cb 0.55 -4.35 -0.07 0.00 1.02 0.00 0.00 30.24 27.38 1d4k n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1d4k s ILE 62 N -4.00 5.16 0.02 5.09 -1.09 0.30 -4.70 121.20 121.98 1d4k s ILE 62 Ca 0.08 0.80 -0.30 0.00 -2.23 0.00 0.00 60.65 58.99 1d4k s ILE 62 Cb -0.04 -3.77 -0.05 0.00 -1.58 0.00 0.00 42.46 37.01 1d4k s ILE 62 CO 0.92 0.21 1.23 -2.84 -1.23 0.00 0.00 174.94 173.23 1d4k s PRO 63 N 1.52 4.39 -0.04 2.79 0.02 -1.26 -1.79 135.00 140.62 1d4k s PRO 63 Ca 0.21 1.78 0.01 0.00 0.02 0.00 0.00 61.00 63.02 1d4k s PRO 63 Cb -0.15 -3.44 0.02 0.00 0.02 0.00 0.00 34.50 30.95 1d4k s PRO 63 CO 0.09 -0.36 -0.06 0.08 -0.33 0.00 0.00 177.00 176.42 1d4k s VAL 64 N 1.58 0.60 -0.32 3.83 1.01 0.11 -4.61 120.40 122.59 1d4k s VAL 64 Ca 0.59 -0.18 -0.10 0.00 0.00 0.00 0.00 61.98 62.29 1d4k s VAL 64 Cb -0.29 -0.60 -0.00 0.00 0.00 0.00 0.00 36.38 35.49 1d4k s VAL 64 CO 0.27 0.23 0.17 -0.70 0.00 0.00 0.00 175.10 175.07 1d4k s GLU 65 N 0.78 3.29 -0.40 2.72 2.12 -0.86 -1.06 118.70 125.28 1d4k s GLU 65 Ca -0.11 -0.76 0.05 0.00 0.36 0.00 0.00 54.97 54.51 1d4k s GLU 65 Cb -0.14 -3.62 0.55 0.00 0.26 0.00 0.00 34.13 31.18 1d4k s GLU 65 CO 0.01 -0.46 1.68 -0.89 -0.54 0.00 0.00 175.26 175.06 1d4k n ILE 66 N 5.00 2.93 0.00 -3.70 5.41 -1.26 -1.36 119.36 126.38 1d4k n ILE 66 Ca -0.13 -2.64 0.00 0.00 1.00 0.00 0.00 62.75 60.97 1d4k n ILE 66 Cb 0.49 -0.57 0.00 0.00 -0.71 0.00 0.00 39.64 38.85 1d4k n ILE 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1d4k n GLY 68 N -1.07 0.00 3.65 7.39 0.00 -1.26 -4.72 105.19 109.17 1d4k n GLY 68 Ca 0.48 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.15 1d4k n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1d4k s HIS 69 N 0.00 3.25 0.07 1.61 4.02 -1.26 -5.09 115.29 117.89 1d4k s HIS 69 Ca 0.00 0.09 -0.20 0.00 1.02 0.00 0.00 55.06 55.98 1d4k s HIS 69 Cb 0.00 -2.04 -0.07 0.00 -1.02 0.00 0.00 32.58 29.46 1d4k s HIS 69 CO 0.00 0.21 0.58 0.21 1.02 0.00 0.00 174.74 176.75 1d4k s LYS 70 N 0.17 4.22 0.00 1.40 2.47 -1.26 -4.25 119.74 122.49 1d4k s LYS 70 Ca 0.04 0.75 -0.05 0.00 -1.56 0.00 0.00 55.97 55.15 1d4k s LYS 70 Cb -0.12 -3.25 -0.00 0.00 -1.46 0.00 0.00 37.83 32.99 1d4k s LYS 70 CO 0.01 0.61 0.09 0.00 0.16 0.00 0.00 175.35 176.22 1d4k s ALA 71 N -1.02 -0.20 -0.20 3.13 0.00 -0.23 -4.73 121.76 118.52 1d4k s ALA 71 Ca 0.29 -0.20 -0.03 0.00 0.00 0.00 0.00 51.96 52.02 1d4k s ALA 71 Cb -0.19 0.09 0.06 0.00 0.00 0.00 0.00 23.12 23.07 1d4k s ALA 71 CO 0.19 -0.18 0.04 0.42 0.00 0.00 0.00 175.76 176.24 1d4k s ILE 72 N -1.23 0.51 0.00 0.00 1.01 -1.26 0.07 121.20 120.29 1d4k s ILE 72 Ca -0.13 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 59.92 1d4k s ILE 72 Cb -0.07 -1.05 0.00 0.00 0.01 0.00 0.00 42.46 41.34 1d4k s ILE 72 CO 0.01 -0.25 0.00 0.61 0.00 0.00 0.00 174.94 175.31 1d4k n GLY 73 N 5.05 2.09 3.72 6.18 0.00 -0.74 -4.79 105.19 116.70 1d4k n GLY 73 Ca -0.08 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.60 1d4k n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1d4k s THR 74 N -2.89 3.94 -0.09 2.61 2.01 -1.26 -0.54 115.64 119.42 1d4k s THR 74 Ca 0.00 1.46 0.02 0.00 0.31 0.00 0.00 61.69 63.47 1d4k s THR 74 Cb 0.00 -3.93 0.02 0.00 0.01 0.00 0.00 72.50 68.59 1d4k s THR 74 CO 0.00 0.15 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.26 1d4k s VAL 75 N 0.72 1.27 -0.11 3.82 1.01 -0.23 -4.52 120.40 122.35 1d4k s VAL 75 Ca 0.57 -0.52 -0.10 0.00 0.00 0.00 0.00 61.98 61.93 1d4k s VAL 75 Cb -0.30 -1.18 -0.05 0.00 0.00 0.00 0.00 36.38 34.86 1d4k s VAL 75 CO 0.31 0.39 0.23 -0.76 0.00 0.00 0.00 175.10 175.27 1d4k s LEU 76 N 0.96 4.36 -0.14 3.92 1.43 -0.17 -1.29 118.68 127.75 1d4k s LEU 76 Ca -0.08 0.56 0.01 0.00 -1.03 0.00 0.00 54.13 53.59 1d4k s LEU 76 Cb -0.15 -2.24 0.00 0.00 0.03 0.00 0.00 46.19 43.83 1d4k s LEU 76 CO -0.00 0.31 -0.18 -0.69 0.23 0.00 0.00 176.35 176.01 1d4k s VAL 77 N -0.60 2.41 0.04 -1.59 1.01 0.09 -0.39 120.40 121.37 1d4k s VAL 77 Ca 0.16 -0.86 -0.12 0.00 0.00 0.00 0.00 61.98 61.16 1d4k s VAL 77 Cb -0.13 -1.99 0.04 0.00 0.00 0.00 0.00 36.38 34.30 1d4k s VAL 77 CO 0.05 0.53 0.58 0.61 0.00 0.00 0.00 175.10 176.88 1d4k n GLY 78 N 3.97 0.69 3.06 4.51 0.00 -0.85 -0.39 105.19 116.18 1d4k n GLY 78 Ca -0.19 -0.99 -0.43 0.00 0.00 0.00 0.00 46.02 44.41 1d4k n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1d4k n PRO 79 N -0.41 1.65 -3.96 1.61 -0.04 -1.26 -2.96 135.00 129.62 1d4k n PRO 79 Ca 0.01 -1.93 -0.35 0.00 -0.04 0.00 0.00 63.50 61.18 1d4k n PRO 79 Cb 0.29 -2.96 -0.06 0.00 -0.04 0.00 0.00 33.50 30.73 1d4k n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1d4k s THR 80 N 4.87 5.28 0.40 0.52 -1.32 -1.26 -5.00 115.64 119.13 1d4k s THR 80 Ca 0.56 -0.00 0.07 0.00 -1.21 0.00 0.00 61.69 61.11 1d4k s THR 80 Cb 0.14 -3.35 0.27 0.00 -1.51 0.00 0.00 72.50 68.05 1d4k s THR 80 CO 0.10 0.51 2.05 -0.65 -2.21 0.00 0.00 174.62 174.42 1d4k h PRO 81 N 4.59 0.58 -3.08 7.08 0.11 -1.98 -3.45 132.00 135.86 1d4k h PRO 81 Ca -0.52 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.45 1d4k h PRO 81 Cb 1.21 -0.13 -0.19 0.00 0.11 0.00 0.00 31.00 32.00 1d4k h PRO 81 CO 0.61 0.38 -0.24 0.54 -0.21 0.00 0.00 178.00 179.08 1d4k s VAL 82 N -5.52 0.06 0.12 3.15 0.11 -1.26 -5.09 120.40 111.97 1d4k s VAL 82 Ca -0.08 -0.52 -0.31 0.00 -2.93 0.00 0.00 61.98 58.13 1d4k s VAL 82 Cb 0.17 -0.74 -0.09 0.00 -1.53 0.00 0.00 36.38 34.19 1d4k s VAL 82 CO 0.74 -0.29 1.54 0.20 -3.33 0.00 0.00 175.10 173.96 1d4k s ASN 83 N -1.58 6.66 -0.09 3.54 0.01 -1.26 -4.76 114.94 117.45 1d4k s ASN 83 Ca -0.10 2.49 0.04 0.00 -0.71 0.00 0.00 52.86 54.57 1d4k s ASN 83 Cb -0.03 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 39.04 1d4k s ASN 83 CO 0.02 -0.80 -0.22 -0.63 -1.51 0.00 0.00 177.10 173.96 1d4k s ILE 84 N 1.60 1.87 -0.36 0.60 1.01 0.94 -0.10 121.20 126.76 1d4k s ILE 84 Ca 0.70 -0.92 -0.11 0.00 0.00 0.00 0.00 60.65 60.32 1d4k s ILE 84 Cb -0.41 -1.63 0.01 0.00 0.01 0.00 0.00 42.46 40.45 1d4k s ILE 84 CO 0.31 0.52 0.21 -0.63 0.00 0.00 0.00 174.94 175.35 1d4k s ILE 85 N 0.36 4.74 0.43 2.92 -1.09 -0.05 -1.53 121.20 126.97 1d4k s ILE 85 Ca -0.17 -0.65 0.01 0.00 -2.23 0.00 0.00 60.65 57.62 1d4k s ILE 85 Cb -0.17 -3.56 0.08 0.00 -1.58 0.00 0.00 42.46 37.23 1d4k s ILE 85 CO 0.08 -0.14 0.59 0.61 -1.23 0.00 0.00 174.94 174.85 1d4k n GLY 86 N 5.02 0.95 0.29 6.18 0.00 -1.20 -1.27 105.19 115.17 1d4k n GLY 86 Ca -0.12 -2.04 0.12 0.00 0.00 0.00 0.00 46.02 43.98 1d4k n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1d4k h ARG 87 N 0.00 0.00 -0.52 1.61 3.08 -1.11 -1.39 114.38 116.04 1d4k h ARG 87 Ca -0.20 0.00 0.01 0.00 0.07 0.00 0.00 59.98 59.86 1d4k h ARG 87 Cb 0.76 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.78 1d4k h ARG 87 CO 0.22 0.00 0.35 -2.95 -1.07 0.00 0.00 179.97 176.52 1d4k h ASN 88 N 0.00 0.60 0.09 7.04 -1.07 -1.79 -2.02 115.58 118.44 1d4k h ASN 88 Ca 0.03 -0.02 -0.29 0.00 0.07 0.00 0.00 56.30 56.10 1d4k h ASN 88 Cb 0.14 -0.15 -0.05 0.00 -2.07 0.00 0.00 38.32 36.19 1d4k h ASN 88 CO -0.00 0.44 -2.20 0.18 0.07 0.00 0.00 177.43 175.92 1d4k n LEU 89 N -4.46 0.14 -0.20 6.14 4.77 -0.95 -4.18 117.00 118.26 1d4k n LEU 89 Ca 0.05 0.06 -0.04 0.00 -0.03 0.00 0.00 56.01 56.06 1d4k n LEU 89 Cb 0.05 0.36 0.15 0.00 -2.33 0.00 0.00 43.42 41.65 1d4k n LEU 89 CO 0.36 0.38 1.03 -0.07 -1.33 0.00 0.00 177.39 177.76 1d4k h LEU 90 N 0.00 0.91 -1.11 2.23 3.38 -1.13 -2.33 115.31 117.26 1d4k h LEU 90 Ca -0.41 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.33 1d4k h LEU 90 Cb 1.98 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 42.48 1d4k h LEU 90 CO 0.03 0.83 -0.32 0.71 0.09 0.00 0.00 178.44 179.78 1d4k h THR 91 N 0.96 1.27 -0.52 0.22 1.35 -1.56 -2.86 112.91 111.77 1d4k h THR 91 Ca 0.22 -1.28 -0.07 0.00 -0.55 0.00 0.00 66.41 64.73 1d4k h THR 91 Cb 0.23 1.54 -0.02 0.00 -1.73 0.00 0.00 68.15 68.17 1d4k h THR 91 CO -0.01 0.38 0.05 1.56 -0.25 0.00 0.00 175.52 177.25 1d4k h GLN 92 N 0.19 0.84 -0.41 4.72 4.20 -1.59 -2.46 115.11 120.60 1d4k h GLN 92 Ca 0.03 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.53 1d4k h GLN 92 Cb 0.67 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.34 1d4k h GLN 92 CO 0.05 0.81 0.00 0.44 -0.67 0.00 0.00 178.83 179.46 1d4k n ILE 93 N -4.23 0.54 -1.81 2.54 -5.35 -1.13 -4.97 119.36 104.96 1d4k n ILE 93 Ca 0.03 -0.57 0.00 0.00 -0.27 0.00 0.00 62.75 61.95 1d4k n ILE 93 Cb 0.28 0.32 0.00 0.00 -1.74 0.00 0.00 39.64 38.50 1d4k n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1d4k n GLY 94 N 1.20 -4.91 0.00 3.28 0.00 -0.93 -5.10 105.19 98.73 1d4k n GLY 94 Ca 0.15 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1d4k n GLY 94 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1d4k n THR 96 N 1.30 0.00 -3.70 2.61 -2.24 -1.26 -5.03 114.28 105.96 1d4k n THR 96 Ca 0.00 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.42 1d4k n THR 96 Cb 0.00 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.15 1d4k n THR 96 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1d4k s LEU 97 N 0.00 4.24 -0.00 3.22 1.43 -1.26 -5.09 118.68 121.22 1d4k s LEU 97 Ca 0.00 0.33 0.04 0.00 -1.03 0.00 0.00 54.13 53.46 1d4k s LEU 97 Cb 0.00 -2.16 -0.01 0.00 0.03 0.00 0.00 46.19 44.05 1d4k s LEU 97 CO 0.00 0.19 -0.12 0.20 0.23 0.00 0.00 176.35 176.85 1d4k s ASN 98 N 0.22 1.36 0.00 2.29 0.01 -1.26 -5.29 114.94 112.27 1d4k s ASN 98 Ca 0.11 -0.25 0.00 0.00 -0.71 0.00 0.00 52.86 52.01 1d4k s ASN 98 Cb -0.12 -0.14 0.00 0.00 0.41 0.00 0.00 41.25 41.41 1d4k s ASN 98 CO 0.00 0.12 0.00 2.22 -1.51 0.00 0.00 177.10 177.93