#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d1k s GLU 2 N 0.00 3.20 -0.05 1.45 2.56 -1.26 -4.95 118.70 119.65 3d1k s GLU 2 Ca 0.00 -0.43 0.05 0.00 0.00 0.00 0.00 54.97 54.59 3d1k s GLU 2 Cb 0.00 -2.84 -0.01 0.00 2.00 0.00 0.00 34.13 33.28 3d1k s GLU 2 CO 0.00 0.57 -0.20 -1.58 -0.56 0.00 0.00 175.26 173.49 3d1k s TRP 3 N -0.52 1.98 0.52 5.30 0.52 -1.26 -5.13 118.94 120.35 3d1k s TRP 3 Ca 0.09 -0.58 -0.08 0.00 0.02 0.00 0.00 56.10 55.55 3d1k s TRP 3 Cb -0.12 -1.32 -0.04 0.00 -1.15 0.00 0.00 33.47 30.84 3d1k s TRP 3 CO 0.02 -0.19 0.87 0.95 0.02 0.00 0.00 176.95 178.62 3d1k s THR 4 N -0.02 4.82 0.24 2.01 -4.23 -1.26 -4.94 115.64 112.26 3d1k s THR 4 Ca -0.04 0.48 -0.06 0.00 -1.18 0.00 0.00 61.69 60.89 3d1k s THR 4 Cb -0.12 -3.85 0.22 0.00 1.34 0.00 0.00 72.50 70.08 3d1k s THR 4 CO 0.03 -0.91 1.87 0.44 -0.54 0.00 0.00 174.62 175.51 3d1k h ASP 5 N 0.17 1.13 -0.70 3.99 3.45 -2.00 -1.11 116.42 121.34 3d1k h ASP 5 Ca -0.46 -0.09 -0.02 0.00 0.43 0.00 0.00 57.03 56.89 3d1k h ASP 5 Cb 1.20 -0.29 -0.03 0.00 -0.56 0.00 0.00 39.33 39.65 3d1k h ASP 5 CO 0.62 0.89 0.38 0.50 -1.57 0.00 0.00 179.24 180.06 3d1k h LYS 6 N 1.27 0.99 -0.64 3.56 3.64 -1.99 -0.78 116.57 122.62 3d1k h LYS 6 Ca 0.32 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 3d1k h LYS 6 Cb 0.00 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.60 3d1k h LYS 6 CO -0.05 0.75 0.36 0.93 -2.27 0.00 0.00 179.45 179.16 3d1k h GLU 7 N 0.97 0.89 -0.67 1.90 5.08 -1.80 0.24 114.58 121.19 3d1k h GLU 7 Ca 0.25 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.52 3d1k h GLU 7 Cb 0.05 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.09 3d1k h GLU 7 CO -0.04 0.66 0.43 0.00 -1.00 0.00 0.00 179.01 179.07 3d1k h ARG 8 N 0.87 0.85 -0.42 2.33 3.08 -0.79 -0.99 114.38 119.32 3d1k h ARG 8 Ca 0.23 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.18 3d1k h ARG 8 Cb 0.02 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 3d1k h ARG 8 CO -0.04 0.56 0.08 1.03 -1.07 0.00 0.00 179.97 180.53 3d1k h SER 9 N 0.88 0.65 -0.33 7.04 0.87 -0.68 -0.88 113.55 121.09 3d1k h SER 9 Ca 0.25 -0.25 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3d1k h SER 9 Cb -0.07 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.70 3d1k h SER 9 CO -0.07 0.74 0.20 0.40 -0.53 0.00 0.00 176.83 177.57 3d1k h ILE 10 N 0.54 1.11 -0.40 2.23 2.04 -0.65 -0.90 117.51 121.48 3d1k h ILE 10 Ca 0.13 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 3d1k h ILE 10 Cb 0.36 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 3d1k h ILE 10 CO 0.01 0.11 0.18 0.40 0.00 0.00 0.00 178.15 178.85 3d1k h ILE 11 N 0.43 1.18 -0.70 -0.67 1.08 -1.09 -0.73 117.51 117.01 3d1k h ILE 11 Ca 0.12 -0.53 0.03 0.00 -0.39 0.00 0.00 64.86 64.09 3d1k h ILE 11 Cb 0.01 0.79 -0.04 0.00 -3.07 0.00 0.00 36.82 34.50 3d1k h ILE 11 CO -0.02 0.20 0.44 -1.28 -0.69 0.00 0.00 178.15 176.79 3d1k h SER 12 N 0.50 0.71 -0.57 1.72 0.87 -0.99 -1.69 113.55 114.11 3d1k h SER 12 Ca 0.14 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.64 3d1k h SER 12 Cb 0.14 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 3d1k h SER 12 CO -0.02 0.49 0.15 -0.78 -0.53 0.00 0.00 176.83 176.14 3d1k h ASP 13 N 0.85 0.85 -0.17 6.23 -0.00 -0.86 -0.91 116.42 122.42 3d1k h ASP 13 Ca 0.28 -0.23 0.02 0.00 -0.00 0.00 0.00 57.03 57.10 3d1k h ASP 13 Cb 0.03 -0.23 -0.02 0.00 -0.00 0.00 0.00 39.33 39.11 3d1k h ASP 13 CO -0.11 0.86 0.04 0.40 -0.00 0.00 0.00 179.24 180.43 3d1k h ILE 14 N 0.81 0.94 0.00 2.25 2.04 -0.78 -2.66 117.51 120.11 3d1k h ILE 14 Ca 0.18 -0.04 -0.10 0.00 1.00 0.00 0.00 64.86 65.90 3d1k h ILE 14 Cb 0.33 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 3d1k h ILE 14 CO 0.00 0.02 -0.48 -0.26 0.00 0.00 0.00 178.15 177.43 3d1k h PHE 15 N 0.12 0.00 0.00 1.37 0.04 -1.05 -1.96 116.94 115.45 3d1k h PHE 15 Ca 0.07 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.78 3d1k h PHE 15 Cb 0.06 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.20 3d1k h PHE 15 CO -0.12 0.48 -0.30 0.77 -0.60 0.00 0.00 178.31 178.54 3d1k h SER 16 N 0.00 0.00 -0.23 2.17 0.02 -0.92 -2.90 113.55 111.69 3d1k h SER 16 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3d1k h SER 16 Cb 0.85 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.39 3d1k h SER 16 CO 0.06 0.30 0.00 1.41 -1.14 0.00 0.00 176.83 177.46 3d1k n HIS 17 N -3.84 0.29 -2.09 3.45 8.25 -1.02 -5.00 115.22 115.26 3d1k n HIS 17 Ca -0.01 -0.22 -0.42 0.00 -0.26 0.00 0.00 57.72 56.80 3d1k n HIS 17 Cb 0.38 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.45 3d1k n HIS 17 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 3d1k s MET 18 N -1.16 4.26 -0.76 -0.41 0.00 -0.76 -4.96 119.30 115.51 3d1k s MET 18 Ca 0.25 2.15 -0.18 0.00 0.00 0.00 0.00 55.69 57.91 3d1k s MET 18 Cb 0.15 -3.42 0.14 0.00 0.00 0.00 0.00 34.83 31.70 3d1k s MET 18 CO 0.21 -0.58 0.85 0.34 0.00 0.00 0.00 175.02 175.84 3d1k s ASP 19 N 1.67 6.47 0.39 1.11 -1.08 -1.26 -4.89 116.67 119.08 3d1k s ASP 19 Ca 0.68 -1.95 0.07 0.00 -0.52 0.00 0.00 52.55 50.82 3d1k s ASP 19 Cb -0.37 -2.31 0.81 0.00 -1.46 0.00 0.00 42.92 39.60 3d1k s ASP 19 CO 0.30 -0.96 2.02 1.88 0.52 0.00 0.00 175.17 178.93 3d1k h TYR 20 N 8.71 0.61 0.00 -5.34 0.05 -1.96 -0.34 116.97 118.69 3d1k h TYR 20 Ca -0.05 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.74 3d1k h TYR 20 Cb 1.06 -0.20 0.00 0.00 1.01 0.00 0.00 36.73 38.59 3d1k h TYR 20 CO 0.99 0.36 0.00 -0.25 -1.05 0.00 0.00 178.16 178.21 3d1k n ASP 21 N -4.47 0.64 -0.11 3.88 9.92 -1.26 -1.24 116.55 123.92 3d1k n ASP 21 Ca 0.06 0.67 -0.17 0.00 -0.53 0.00 0.00 54.79 54.82 3d1k n ASP 21 Cb 0.13 -0.80 -0.06 0.00 -0.64 0.00 0.00 41.12 39.75 3d1k n ASP 21 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 3d1k n ASP 22 N -2.22 1.93 -0.24 -2.24 -0.08 -0.63 -4.50 116.55 108.57 3d1k n ASP 22 Ca 0.02 0.36 -0.07 0.00 -1.51 0.00 0.00 54.79 53.59 3d1k n ASP 22 Cb 0.22 -0.79 0.05 0.00 2.34 0.00 0.00 41.12 42.94 3d1k n ASP 22 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 3d1k h ILE 23 N -1.00 1.26 0.57 5.18 1.08 -1.13 -2.92 117.51 120.55 3d1k h ILE 23 Ca -0.27 -1.02 -0.03 0.00 -0.39 0.00 0.00 64.86 63.15 3d1k h ILE 23 Cb 1.20 0.61 0.01 0.00 -3.07 0.00 0.00 36.82 35.56 3d1k h ILE 23 CO -0.16 0.39 -0.28 1.23 -0.69 0.00 0.00 178.15 178.64 3d1k h GLY 24 N 1.06 -0.80 0.95 5.37 0.00 -1.39 0.47 103.07 108.73 3d1k h GLY 24 Ca 0.21 0.30 0.02 0.00 0.00 0.00 0.00 47.33 47.86 3d1k h GLY 24 CO 0.01 -0.29 0.57 -2.55 0.00 0.00 0.00 176.54 174.28 3d1k h PRO 25 N -0.81 1.11 -0.47 4.80 0.11 -1.74 -2.35 132.00 132.66 3d1k h PRO 25 Ca -0.08 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 65.91 3d1k h PRO 25 Cb 0.61 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.45 3d1k h PRO 25 CO 0.13 0.73 0.08 0.87 -0.21 0.00 0.00 178.00 179.61 3d1k h LYS 26 N 1.14 0.77 -0.42 1.05 1.57 -1.29 -1.09 116.57 118.30 3d1k h LYS 26 Ca 0.33 -0.20 -0.04 0.00 -1.87 0.00 0.00 60.65 58.87 3d1k h LYS 26 Cb -0.08 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 3d1k h LYS 26 CO -0.09 0.78 0.10 0.00 -0.57 0.00 0.00 179.45 179.67 3d1k h ALA 27 N 0.96 0.55 -0.23 3.86 0.00 -0.70 -0.07 119.26 123.62 3d1k h ALA 27 Ca 0.14 -0.19 -0.19 0.00 0.00 0.00 0.00 54.91 54.67 3d1k h ALA 27 Cb 0.38 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3d1k h ALA 27 CO 0.01 0.23 -0.60 1.25 0.00 0.00 0.00 179.25 180.14 3d1k h LEU 28 N 0.54 0.93 -1.06 0.00 5.85 -1.40 -1.36 115.31 118.81 3d1k h LEU 28 Ca 0.13 -0.57 -0.06 0.00 0.84 0.00 0.00 57.88 58.23 3d1k h LEU 28 Cb 0.31 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 3d1k h LEU 28 CO 0.00 1.33 0.06 0.77 -0.34 0.00 0.00 178.44 180.26 3d1k h SER 29 N 0.57 0.69 -0.50 1.25 4.64 -1.14 -0.91 113.55 118.15 3d1k h SER 29 Ca -0.01 -0.14 -0.05 0.00 -0.47 0.00 0.00 61.79 61.13 3d1k h SER 29 Cb 1.22 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 63.10 3d1k h SER 29 CO 0.13 0.72 0.13 -0.09 -0.87 0.00 0.00 176.83 176.85 3d1k h ARG 30 N 0.70 0.80 -0.76 4.77 2.43 -0.83 -2.05 114.38 119.45 3d1k h ARG 30 Ca 0.15 -0.19 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 3d1k h ARG 30 Cb 0.34 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.75 3d1k h ARG 30 CO 0.01 0.77 0.39 0.00 -1.51 0.00 0.00 179.97 179.62 3d1k h LEU 32 N 1.07 0.00 0.09 0.00 3.38 -0.73 0.58 115.31 119.70 3d1k h LEU 32 Ca 0.26 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.96 3d1k h LEU 32 Cb 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3d1k h LEU 32 CO -0.04 0.19 -1.46 0.58 0.09 0.00 0.00 178.44 177.80 3d1k h VAL 33 N 0.00 0.94 -0.01 1.22 2.07 -0.77 -3.27 116.25 116.44 3d1k h VAL 33 Ca -0.00 -2.34 -0.18 0.00 0.82 0.00 0.00 66.70 65.00 3d1k h VAL 33 Cb 0.52 2.58 -0.01 0.00 -1.52 0.00 0.00 31.29 32.86 3d1k h VAL 33 CO 0.02 0.66 -0.82 0.58 0.02 0.00 0.00 177.57 178.03 3d1k h VAL 34 N -0.40 1.48 -2.12 2.57 2.07 -0.88 -3.35 116.25 115.63 3d1k h VAL 34 Ca -0.33 -2.52 -0.58 0.00 0.82 0.00 0.00 66.70 64.08 3d1k h VAL 34 Cb 1.70 2.39 -0.41 0.00 -1.52 0.00 0.00 31.29 33.44 3d1k h VAL 34 CO 0.00 0.73 -0.79 -1.22 0.02 0.00 0.00 177.57 176.32 3d1k n TYR 35 N -3.69 2.14 0.34 1.57 4.01 0.19 -4.98 117.16 116.74 3d1k n TYR 35 Ca -0.03 -3.93 0.08 0.00 -0.16 0.00 0.00 57.90 53.86 3d1k n TYR 35 Cb 0.77 -0.48 0.35 0.00 -0.31 0.00 0.00 39.34 39.67 3d1k n TYR 35 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3d1k n PRO 36 N 1.04 0.08 0.11 -0.72 -0.04 -1.23 -1.17 135.00 133.08 3d1k n PRO 36 Ca 0.27 0.40 0.10 0.00 -0.04 0.00 0.00 63.50 64.23 3d1k n PRO 36 Cb 0.46 -1.68 0.46 0.00 -0.04 0.00 0.00 33.50 32.70 3d1k n PRO 36 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3d1k n TRP 37 N -1.84 0.65 0.60 0.54 2.14 -1.26 -1.51 117.44 116.76 3d1k n TRP 37 Ca 0.02 0.27 0.11 0.00 2.07 0.00 0.00 57.50 59.97 3d1k n TRP 37 Cb 0.14 -0.94 0.45 0.00 -0.81 0.00 0.00 31.31 30.15 3d1k n TRP 37 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 3d1k n THR 38 N -2.11 0.65 0.25 -1.67 -2.24 -0.31 -3.18 114.28 105.67 3d1k n THR 38 Ca 0.01 0.07 0.09 0.00 -2.27 0.00 0.00 64.05 61.96 3d1k n THR 38 Cb 0.17 -0.85 0.64 0.00 -2.10 0.00 0.00 70.33 68.19 3d1k n THR 38 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 3d1k h GLN 39 N 0.00 0.00 0.00 -0.78 4.20 -1.48 -3.17 115.11 113.88 3d1k h GLN 39 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3d1k h GLN 39 Cb 0.45 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.23 3d1k h GLN 39 CO 0.00 0.13 0.00 2.89 -0.67 0.00 0.00 178.83 181.18 3d1k n ARG 40 N -4.03 0.15 0.05 1.46 1.85 -1.19 -1.03 116.66 113.91 3d1k n ARG 40 Ca -0.02 0.58 0.13 0.00 -1.00 0.00 0.00 57.85 57.53 3d1k n ARG 40 Cb 0.22 -1.92 0.31 0.00 -1.05 0.00 0.00 32.46 30.02 3d1k n ARG 40 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3d1k n TYR 41 N -2.22 0.43 -1.81 2.89 4.02 -1.20 -3.99 117.16 115.28 3d1k n TYR 41 Ca -0.00 0.12 0.05 0.00 -0.01 0.00 0.00 57.90 58.06 3d1k n TYR 41 Cb 0.08 -0.61 0.16 0.00 -0.02 0.00 0.00 39.34 38.96 3d1k n TYR 41 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 3d1k n PHE 42 N -1.91 0.05 0.30 -0.72 3.72 -0.20 -4.76 117.46 113.94 3d1k n PHE 42 Ca 0.05 -1.30 0.03 0.00 -0.05 0.00 0.00 57.45 56.18 3d1k n PHE 42 Cb 0.40 -0.23 0.15 0.00 -0.94 0.00 0.00 39.48 38.86 3d1k n PHE 42 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3d1k n SER 43 N -0.76 0.00 -0.57 4.37 3.41 -1.18 -1.39 113.62 117.50 3d1k n SER 43 Ca 0.17 0.04 0.07 0.00 -0.26 0.00 0.00 58.87 58.89 3d1k n SER 43 Cb 0.80 -0.17 0.07 0.00 -0.26 0.00 0.00 64.21 64.65 3d1k n SER 43 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3d1k n GLY 44 N -0.74 0.29 0.00 5.00 0.00 -1.26 -4.37 105.19 104.10 3d1k n GLY 44 Ca 0.03 -0.40 0.07 0.00 0.00 0.00 0.00 46.02 45.73 3d1k n GLY 44 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3d1k n PHE 45 N 0.76 0.00 -0.08 1.61 3.01 -0.48 -4.98 117.46 117.29 3d1k n PHE 45 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.55 3d1k n PHE 45 Cb 0.35 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.82 3d1k n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3d1k n GLY 46 N 0.33 -3.73 3.66 1.37 0.00 -1.26 -4.65 105.19 100.91 3d1k n GLY 46 Ca 0.11 -2.05 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 3d1k n GLY 46 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3d1k s ASN 47 N -0.92 6.68 0.00 1.61 0.01 -1.26 -4.92 114.94 116.14 3d1k s ASN 47 Ca 0.00 2.23 0.00 0.00 -0.71 0.00 0.00 52.86 54.38 3d1k s ASN 47 Cb 0.00 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 39.12 3d1k s ASN 47 CO 0.00 -0.91 0.30 0.18 -1.51 0.00 0.00 177.10 175.16 3d1k n LEU 48 N 6.95 0.00 0.20 0.60 7.99 -1.26 -4.61 117.00 126.87 3d1k n LEU 48 Ca 0.17 -0.06 0.10 0.00 -0.01 0.00 0.00 56.01 56.21 3d1k n LEU 48 Cb 0.43 0.00 0.14 0.00 -0.11 0.00 0.00 43.42 43.88 3d1k n LEU 48 CO 0.62 0.07 0.74 0.22 -1.51 0.00 0.00 177.39 177.53 3d1k h TYR 49 N 0.00 0.00 -1.78 -1.77 5.03 -1.94 -3.43 116.97 113.08 3d1k h TYR 49 Ca 0.00 0.00 -0.62 0.00 2.58 0.00 0.00 58.73 60.69 3d1k h TYR 49 Cb 0.85 0.00 -0.13 0.00 1.55 0.00 0.00 36.73 39.00 3d1k h TYR 49 CO 0.00 0.10 -0.61 1.21 -1.32 0.00 0.00 178.16 177.54 3d1k s ASN 50 N -6.26 3.76 0.29 -2.11 3.04 -1.26 -5.00 114.94 107.39 3d1k s ASN 50 Ca 0.06 -1.34 0.03 0.00 0.04 0.00 0.00 52.86 51.65 3d1k s ASN 50 Cb 0.06 -0.37 0.43 0.00 -1.54 0.00 0.00 41.25 39.82 3d1k s ASN 50 CO 0.69 -0.42 1.73 0.00 -3.04 0.00 0.00 177.10 176.05 3d1k h ALA 51 N 1.83 1.12 -0.42 1.71 0.00 -1.99 0.44 119.26 121.96 3d1k h ALA 51 Ca -0.43 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.04 3d1k h ALA 51 Cb 1.24 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 3d1k h ALA 51 CO 0.79 0.55 -0.13 0.93 0.00 0.00 0.00 179.25 181.38 3d1k h GLU 52 N 0.41 0.76 0.05 0.00 5.08 -1.99 -1.55 114.58 117.35 3d1k h GLU 52 Ca 0.06 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.16 3d1k h GLU 52 Cb 0.66 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 3d1k h GLU 52 CO 0.05 0.86 -0.08 0.78 -1.00 0.00 0.00 179.01 179.62 3d1k h GLY 53 N 0.97 -0.98 0.33 -3.84 0.00 -1.75 -2.52 103.07 95.29 3d1k h GLY 53 Ca 0.11 0.43 0.07 0.00 0.00 0.00 0.00 47.33 47.95 3d1k h GLY 53 CO 0.04 -0.35 -0.04 -2.22 0.00 0.00 0.00 176.54 173.97 3d1k h ILE 54 N -0.13 0.67 0.23 2.60 2.04 -0.15 -2.28 117.51 120.49 3d1k h ILE 54 Ca -0.01 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 3d1k h ILE 54 Cb 0.12 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 36.82 3d1k h ILE 54 CO -0.02 0.01 -0.14 0.24 0.00 0.00 0.00 178.15 178.23 3d1k h MET 55 N 0.05 -0.33 0.00 2.37 2.86 -1.21 -2.77 114.93 115.90 3d1k h MET 55 Ca 0.18 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 3d1k h MET 55 Cb 0.27 0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.00 3d1k h MET 55 CO -0.34 -0.22 0.00 -1.13 1.06 0.00 0.00 176.91 176.27 3d1k n SER 56 N -3.12 0.00 -4.69 1.22 3.41 -0.96 -4.81 113.62 104.67 3d1k n SER 56 Ca -0.04 -0.04 -0.42 0.00 -0.26 0.00 0.00 58.87 58.10 3d1k n SER 56 Cb 0.15 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 63.96 3d1k n SER 56 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3d1k s ASN 57 N -2.21 7.06 0.47 4.04 3.84 -0.86 -4.86 114.94 122.42 3d1k s ASN 57 Ca 0.08 1.84 0.25 0.00 0.21 0.00 0.00 52.86 55.24 3d1k s ASN 57 Cb 0.04 -2.56 1.15 0.00 -0.55 0.00 0.00 41.25 39.33 3d1k s ASN 57 CO 0.08 -0.57 1.93 0.00 -2.79 0.00 0.00 177.10 175.75 3d1k h ALA 58 N 7.38 1.13 -0.27 1.71 0.00 -1.91 -1.11 119.26 126.19 3d1k h ALA 58 Ca -0.35 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.29 3d1k h ALA 58 Cb 1.17 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3d1k h ALA 58 CO 0.87 0.23 -0.20 -0.91 0.00 0.00 0.00 179.25 179.24 3d1k h ASN 59 N 0.00 0.64 -0.77 0.00 2.35 -1.89 -0.63 115.58 115.29 3d1k h ASN 59 Ca -0.00 -0.45 -0.03 0.00 -0.55 0.00 0.00 56.30 55.27 3d1k h ASN 59 Cb 0.57 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.72 3d1k h ASN 59 CO 0.02 0.95 0.37 0.58 -1.65 0.00 0.00 177.43 177.71 3d1k h VAL 60 N 0.34 1.25 0.00 2.81 2.07 -1.76 -0.73 116.25 120.22 3d1k h VAL 60 Ca 0.05 -0.69 -0.00 0.00 0.82 0.00 0.00 66.70 66.88 3d1k h VAL 60 Cb 0.74 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 3d1k h VAL 60 CO 0.05 0.29 -0.00 0.00 0.02 0.00 0.00 177.57 177.93 3d1k h ALA 61 N 1.19 -0.00 -0.48 1.67 0.00 -1.12 0.84 119.26 121.36 3d1k h ALA 61 Ca 0.26 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 3d1k h ALA 61 Cb 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3d1k h ALA 61 CO -0.03 -0.46 0.19 0.00 0.00 0.00 0.00 179.25 178.94 3d1k h ALA 62 N 0.92 1.44 -0.09 0.00 0.00 -0.81 -1.71 119.26 119.01 3d1k h ALA 62 Ca -0.00 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.61 3d1k h ALA 62 Cb 0.08 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3d1k h ALA 62 CO 0.00 0.43 -0.68 1.25 0.00 0.00 0.00 179.25 180.25 3d1k h HIS 63 N 0.68 0.50 -0.26 0.00 2.76 -0.79 -1.73 115.15 116.31 3d1k h HIS 63 Ca 0.16 -0.21 -0.08 0.00 -2.20 0.00 0.00 60.37 58.04 3d1k h HIS 63 Cb 0.14 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.01 3d1k h HIS 63 CO 0.01 0.94 -0.20 0.78 -1.30 0.00 0.00 177.93 178.16 3d1k h GLY 64 N 1.32 0.50 0.98 5.26 0.00 -0.29 0.13 103.07 110.97 3d1k h GLY 64 Ca -0.02 -0.38 -0.07 0.00 0.00 0.00 0.00 47.33 46.87 3d1k h GLY 64 CO 0.11 0.35 0.02 -2.22 0.00 0.00 0.00 176.54 174.80 3d1k h ILE 65 N 0.42 1.26 -0.86 2.60 2.04 -1.18 -1.46 117.51 120.33 3d1k h ILE 65 Ca 0.07 -1.01 -0.01 0.00 1.00 0.00 0.00 64.86 64.91 3d1k h ILE 65 Cb 0.58 1.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.64 3d1k h ILE 65 CO 0.04 0.35 0.50 0.50 0.00 0.00 0.00 178.15 179.54 3d1k h LYS 66 N 0.64 1.18 -0.35 2.37 3.64 -0.73 -1.05 116.57 122.26 3d1k h LYS 66 Ca 0.13 -0.12 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 3d1k h LYS 66 Cb 0.47 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 3d1k h LYS 66 CO 0.02 0.84 0.15 0.28 -2.27 0.00 0.00 179.45 178.48 3d1k h VAL 67 N 1.19 1.18 -0.50 2.00 2.07 -0.76 -0.53 116.25 120.90 3d1k h VAL 67 Ca 0.31 -0.53 -0.08 0.00 0.82 0.00 0.00 66.70 67.22 3d1k h VAL 67 Cb -0.02 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 3d1k h VAL 67 CO -0.05 0.19 -0.01 0.25 0.02 0.00 0.00 177.57 177.96 3d1k h LEU 68 N 0.43 0.82 -1.48 2.57 5.85 -0.96 -0.14 115.31 122.39 3d1k h LEU 68 Ca 0.12 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 3d1k h LEU 68 Cb 0.16 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 40.96 3d1k h LEU 68 CO -0.01 0.89 -0.05 0.45 -0.34 0.00 0.00 178.44 179.38 3d1k h HIS 69 N 0.79 0.00 0.00 1.25 3.86 -0.99 -1.75 115.15 118.31 3d1k h HIS 69 Ca 0.15 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.36 3d1k h HIS 69 Cb 0.49 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.96 3d1k h HIS 69 CO 0.03 0.05 0.00 0.78 0.86 0.00 0.00 177.93 179.65 3d1k h GLY 70 N 1.91 0.00 2.00 2.45 0.00 0.66 -0.95 103.07 109.14 3d1k h GLY 70 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3d1k h GLY 70 CO 0.01 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.96 3d1k h LEU 71 N 0.00 0.00 -0.87 3.11 3.38 -1.19 -3.35 115.31 116.40 3d1k h LEU 71 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3d1k h LEU 71 Cb 0.33 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 3d1k h LEU 71 CO 0.00 0.00 0.57 0.44 0.09 0.00 0.00 178.44 179.54 3d1k h ASP 72 N 0.00 0.98 -0.58 -0.43 3.32 -1.30 -1.19 116.42 117.23 3d1k h ASP 72 Ca 0.00 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 3d1k h ASP 72 Cb 0.82 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.10 3d1k h ASP 72 CO 0.00 0.70 0.32 0.08 -1.72 0.00 0.00 179.24 178.62 3d1k h ARG 73 N 1.16 0.83 -0.15 3.56 0.11 -1.74 -1.18 114.38 116.97 3d1k h ARG 73 Ca 0.32 -0.09 -0.14 0.00 0.10 0.00 0.00 59.98 60.18 3d1k h ARG 73 Cb -0.10 -0.17 0.00 0.00 1.11 0.00 0.00 29.97 30.81 3d1k h ARG 73 CO -0.08 0.62 -0.44 0.78 0.10 0.00 0.00 179.97 180.95 3d1k h GLY 74 N 0.91 0.63 2.00 0.08 0.00 -1.48 -3.22 103.07 101.99 3d1k h GLY 74 Ca 0.21 -0.80 -0.06 0.00 0.00 0.00 0.00 47.33 46.68 3d1k h GLY 74 CO -0.03 0.72 -0.28 0.00 0.00 0.00 0.00 176.54 176.94 3d1k h MET 75 N 0.21 0.00 0.00 4.80 -0.00 -0.87 -2.30 114.93 116.78 3d1k h MET 75 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.69 3d1k h MET 75 Cb 1.06 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.66 3d1k h MET 75 CO 0.10 0.28 0.00 0.87 -0.00 0.00 0.00 176.91 178.16 3d1k h LYS 76 N 0.00 0.00 -1.29 -0.10 1.57 -1.26 -3.36 116.57 112.12 3d1k h LYS 76 Ca -0.00 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.46 3d1k h LYS 76 Cb 0.70 0.00 -0.24 0.00 0.08 0.00 0.00 32.23 32.77 3d1k h LYS 76 CO 0.04 0.00 -0.68 -1.71 -0.57 0.00 0.00 179.45 176.52 3d1k n ASN 77 N -2.48 -2.22 0.30 0.86 5.15 -0.91 -4.99 115.26 110.97 3d1k n ASN 77 Ca 0.04 -2.82 0.20 0.00 -0.60 0.00 0.00 54.58 51.40 3d1k n ASN 77 Cb 0.40 0.92 0.95 0.00 -0.53 0.00 0.00 39.78 41.52 3d1k n ASN 77 CO 0.00 0.00 0.00 0.24 1.40 0.00 0.00 177.26 178.90 3d1k h MET 78 N 4.90 0.00 0.00 1.20 2.86 -1.61 -0.49 114.93 121.79 3d1k h MET 78 Ca 0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 3d1k h MET 78 Cb 1.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.68 3d1k h MET 78 CO 0.21 0.00 0.00 -0.25 1.06 0.00 0.00 176.91 177.93 3d1k n ASP 79 N -3.02 0.00 -0.68 1.22 8.00 -1.26 -3.15 116.55 117.66 3d1k n ASP 79 Ca -0.01 0.05 0.06 0.00 0.71 0.00 0.00 54.79 55.60 3d1k n ASP 79 Cb 0.17 -0.33 0.16 0.00 -0.02 0.00 0.00 41.12 41.10 3d1k n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3d1k n ASN 80 N -1.33 1.61 -0.35 -2.24 5.15 -0.20 -4.83 115.26 113.07 3d1k n ASN 80 Ca 0.11 -3.37 0.02 0.00 -0.60 0.00 0.00 54.58 50.74 3d1k n ASN 80 Cb 0.22 -0.46 0.18 0.00 -0.53 0.00 0.00 39.78 39.19 3d1k n ASN 80 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 3d1k h ILE 81 N 2.18 1.12 -0.47 -1.44 2.04 -1.50 -1.07 117.51 118.37 3d1k h ILE 81 Ca -0.04 -0.41 0.05 0.00 1.00 0.00 0.00 64.86 65.46 3d1k h ILE 81 Cb 1.18 -0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 3d1k h ILE 81 CO 0.02 0.22 0.22 0.00 0.00 0.00 0.00 178.15 178.60 3d1k h ALA 82 N 1.45 0.59 -0.00 1.87 0.00 -1.88 -1.16 119.26 120.13 3d1k h ALA 82 Ca 0.41 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.35 3d1k h ALA 82 Cb 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3d1k h ALA 82 CO -0.14 -0.15 -0.24 -0.25 0.00 0.00 0.00 179.25 178.47 3d1k n ASP 83 N -4.93 0.40 0.16 0.00 8.00 -0.98 -3.84 116.55 115.37 3d1k n ASP 83 Ca 0.04 -0.19 0.13 0.00 0.71 0.00 0.00 54.79 55.48 3d1k n ASP 83 Cb 0.14 -0.04 0.33 0.00 -0.02 0.00 0.00 41.12 41.53 3d1k n ASP 83 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3d1k h ALA 84 N 3.22 1.00 -0.38 2.24 0.00 0.10 -3.30 119.26 122.14 3d1k h ALA 84 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3d1k h ALA 84 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3d1k h ALA 84 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.91 3d1k n TYR 85 N -2.64 0.78 -0.20 0.00 4.02 -1.19 -4.75 117.16 113.18 3d1k n TYR 85 Ca 0.04 -0.63 -0.02 0.00 -0.01 0.00 0.00 57.90 57.28 3d1k n TYR 85 Cb 0.45 -0.15 0.09 0.00 -0.02 0.00 0.00 39.34 39.71 3d1k n TYR 85 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 3d1k h THR 86 N 2.33 0.89 -0.27 -0.72 2.02 -1.74 0.12 112.91 115.54 3d1k h THR 86 Ca 0.00 -0.17 -0.14 0.00 0.77 0.00 0.00 66.41 66.86 3d1k h THR 86 Cb 1.06 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 3d1k h THR 86 CO 0.10 0.09 -0.41 0.44 0.37 0.00 0.00 175.52 176.11 3d1k h ASP 87 N 0.51 0.71 -0.23 4.18 3.32 -1.89 -1.27 116.42 121.74 3d1k h ASP 87 Ca 0.28 -0.32 -0.10 0.00 0.02 0.00 0.00 57.03 56.91 3d1k h ASP 87 Cb 0.25 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 3d1k h ASP 87 CO -0.22 1.03 -0.17 -0.07 -1.72 0.00 0.00 179.24 178.09 3d1k h LEU 88 N 0.54 0.66 -0.19 1.55 3.38 -1.71 -1.82 115.31 117.72 3d1k h LEU 88 Ca 0.04 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 3d1k h LEU 88 Cb 0.94 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 3d1k h LEU 88 CO 0.09 0.84 0.05 -1.28 0.09 0.00 0.00 178.44 178.23 3d1k h SER 89 N 0.60 0.30 -0.60 -0.43 0.87 -0.47 -1.75 113.55 112.06 3d1k h SER 89 Ca 0.10 -0.23 0.04 0.00 -1.23 0.00 0.00 61.79 60.46 3d1k h SER 89 Cb 0.63 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.46 3d1k h SER 89 CO 0.04 0.45 0.34 0.74 -0.53 0.00 0.00 176.83 177.88 3d1k h THR 90 N 0.13 1.02 0.23 2.23 2.02 -1.12 -0.29 112.91 117.12 3d1k h THR 90 Ca 0.06 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 67.00 3d1k h THR 90 Cb 0.27 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 3d1k h THR 90 CO 0.00 0.12 -0.11 0.25 0.37 0.00 0.00 175.52 176.15 3d1k h LEU 91 N 0.67 -0.27 -1.30 2.58 5.85 -1.18 0.57 115.31 122.23 3d1k h LEU 91 Ca 0.25 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.95 3d1k h LEU 91 Cb 0.09 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 3d1k h LEU 91 CO -0.14 -0.19 0.09 0.45 -0.34 0.00 0.00 178.44 178.32 3d1k h HIS 92 N -0.32 0.58 0.18 1.25 3.86 -1.17 0.28 115.15 119.81 3d1k h HIS 92 Ca -0.03 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.13 3d1k h HIS 92 Cb 0.24 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.54 3d1k h HIS 92 CO -0.06 0.50 -0.08 1.03 0.86 0.00 0.00 177.93 180.18 3d1k h SER 93 N 0.56 -0.20 0.76 2.45 0.87 -0.83 0.36 113.55 117.51 3d1k h SER 93 Ca 0.13 -0.07 -0.25 0.00 -1.23 0.00 0.00 61.79 60.38 3d1k h SER 93 Cb 0.22 0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.19 3d1k h SER 93 CO -0.00 0.30 -1.34 -0.33 -0.53 0.00 0.00 176.83 174.93 3d1k h GLU 94 N -1.05 0.00 0.04 2.24 5.08 -0.95 -2.70 114.58 117.24 3d1k h GLU 94 Ca -0.02 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.96 3d1k h GLU 94 Cb 0.26 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.46 3d1k h GLU 94 CO 0.04 0.73 -2.21 1.63 -1.00 0.00 0.00 179.01 178.20 3d1k n LYS 95 N -3.19 0.66 0.03 2.33 4.76 -0.56 -4.61 118.16 117.59 3d1k n LYS 95 Ca -0.08 0.25 0.11 0.00 -2.87 0.00 0.00 58.31 55.72 3d1k n LYS 95 Cb 0.99 -1.60 -0.02 0.00 -1.84 0.00 0.00 35.03 32.56 3d1k n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3d1k n LEU 96 N -3.64 0.56 -3.84 -0.35 4.77 -0.02 -4.98 117.00 109.51 3d1k n LEU 96 Ca -0.42 0.03 -0.28 0.00 -0.03 0.00 0.00 56.01 55.32 3d1k n LEU 96 Cb 0.95 -0.07 0.03 0.00 -2.33 0.00 0.00 43.42 42.01 3d1k n LEU 96 CO 0.26 -0.00 0.08 1.41 -1.33 0.00 0.00 177.39 177.81 3d1k n HIS 97 N -2.13 -2.28 -2.65 -1.77 8.25 -0.50 -4.92 115.22 109.21 3d1k n HIS 97 Ca 0.01 0.90 -0.42 0.00 -0.26 0.00 0.00 57.72 57.95 3d1k n HIS 97 Cb 0.48 -4.17 -0.03 0.00 1.12 0.00 0.00 29.99 27.39 3d1k n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3d1k s VAL 98 N -3.38 4.70 0.28 1.59 1.01 -0.00 -4.98 120.40 119.62 3d1k s VAL 98 Ca 0.51 1.97 -0.30 0.00 0.00 0.00 0.00 61.98 64.16 3d1k s VAL 98 Cb -0.25 -4.26 -0.10 0.00 0.00 0.00 0.00 36.38 31.76 3d1k s VAL 98 CO 0.82 0.04 1.44 -0.62 0.00 0.00 0.00 175.10 176.78 3d1k s ASP 99 N 1.13 6.61 0.55 3.32 3.68 -1.26 -4.74 116.67 125.96 3d1k s ASP 99 Ca 0.50 2.74 0.31 0.00 2.13 0.00 0.00 52.55 58.24 3d1k s ASP 99 Cb -0.20 -2.63 1.56 0.00 -1.45 0.00 0.00 42.92 40.20 3d1k s ASP 99 CO 0.21 -0.72 2.09 1.55 0.13 0.00 0.00 175.17 178.43 3d1k h PRO 100 N 4.56 0.00 0.00 4.34 0.13 -1.97 -1.44 132.00 137.63 3d1k h PRO 100 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3d1k h PRO 100 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3d1k h PRO 100 CO 0.75 0.08 0.00 -0.44 -0.23 0.00 0.00 178.00 178.16 3d1k h ASP 101 N 0.00 0.00 0.65 1.44 3.45 -2.02 -2.62 116.42 117.32 3d1k h ASP 101 Ca -0.00 0.00 -0.05 0.00 0.43 0.00 0.00 57.03 57.41 3d1k h ASP 101 Cb 0.34 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.10 3d1k h ASP 101 CO 0.01 0.00 -0.25 0.78 -1.57 0.00 0.00 179.24 178.21 3d1k h ASN 102 N 0.00 0.00 -0.93 6.45 2.35 -1.62 -2.97 115.58 118.85 3d1k h ASN 102 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3d1k h ASN 102 Cb 0.20 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.53 3d1k h ASN 102 CO 0.00 0.25 0.59 -0.26 -1.65 0.00 0.00 177.43 176.36 3d1k h PHE 103 N 0.00 1.19 -0.59 1.19 0.04 -1.66 -1.56 116.94 115.55 3d1k h PHE 103 Ca -0.00 0.01 -0.07 0.00 2.80 0.00 0.00 57.97 60.72 3d1k h PHE 103 Cb 0.64 -0.40 -0.03 0.00 2.20 0.00 0.00 35.95 38.37 3d1k h PHE 103 CO 0.00 0.77 0.11 -0.22 -0.60 0.00 0.00 178.31 178.37 3d1k h LYS 104 N 1.27 0.95 -0.14 1.51 3.64 -1.70 -0.24 116.57 121.85 3d1k h LYS 104 Ca 0.34 -0.23 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3d1k h LYS 104 Cb -0.10 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.58 3d1k h LYS 104 CO -0.07 0.87 0.07 -0.07 -2.27 0.00 0.00 179.45 177.99 3d1k h LEU 105 N 0.90 0.18 -0.88 5.20 3.38 -1.42 -0.46 115.31 122.19 3d1k h LEU 105 Ca 0.19 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 3d1k h LEU 105 Cb 0.38 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3d1k h LEU 105 CO 0.01 0.23 0.00 0.25 0.09 0.00 0.00 178.44 179.02 3d1k h LEU 106 N 0.12 0.79 -0.57 1.67 5.85 -1.15 -2.24 115.31 119.78 3d1k h LEU 106 Ca 0.05 -0.20 0.08 0.00 0.84 0.00 0.00 57.88 58.66 3d1k h LEU 106 Cb 0.09 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 40.84 3d1k h LEU 106 CO -0.01 0.86 0.21 -1.28 -0.34 0.00 0.00 178.44 177.89 3d1k h SER 107 N 0.77 0.22 -0.12 1.25 0.87 -0.63 0.04 113.55 115.95 3d1k h SER 107 Ca 0.15 0.07 -0.07 0.00 -1.23 0.00 0.00 61.79 60.70 3d1k h SER 107 Cb 0.46 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.45 3d1k h SER 107 CO 0.02 0.14 -0.14 0.44 -0.53 0.00 0.00 176.83 176.76 3d1k h ASP 108 N 0.40 0.47 -0.23 6.23 3.32 -0.77 -0.78 116.42 125.06 3d1k h ASP 108 Ca 0.28 -0.13 -0.11 0.00 0.02 0.00 0.00 57.03 57.09 3d1k h ASP 108 Cb 0.33 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3d1k h ASP 108 CO -0.28 0.64 -0.25 0.00 -1.72 0.00 0.00 179.24 177.63 3d1k h ILE 110 N 0.61 1.07 -0.58 0.00 2.04 -0.47 -0.40 117.51 119.78 3d1k h ILE 110 Ca 0.08 -0.16 0.01 0.00 1.00 0.00 0.00 64.86 65.79 3d1k h ILE 110 Cb 0.75 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 3d1k h ILE 110 CO 0.06 0.07 0.38 0.74 0.00 0.00 0.00 178.15 179.39 3d1k h THR 111 N 0.25 1.13 -0.34 -0.27 2.02 -0.93 -0.05 112.91 114.71 3d1k h THR 111 Ca 0.07 -0.26 -0.12 0.00 0.77 0.00 0.00 66.41 66.87 3d1k h THR 111 Cb 0.00 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 66.70 3d1k h THR 111 CO -0.01 0.14 -0.27 0.40 0.37 0.00 0.00 175.52 176.14 3d1k h ILE 112 N 0.76 1.28 -0.31 3.11 2.04 -0.77 0.28 117.51 123.90 3d1k h ILE 112 Ca 0.22 -1.39 -0.18 0.00 1.00 0.00 0.00 64.86 64.51 3d1k h ILE 112 Cb -0.06 1.31 -0.00 0.00 -0.74 0.00 0.00 36.82 37.33 3d1k h ILE 112 CO -0.06 0.45 -0.52 0.58 0.00 0.00 0.00 178.15 178.60 3d1k h VAL 113 N 0.61 1.27 -0.58 1.67 2.07 -0.82 -1.81 116.25 118.66 3d1k h VAL 113 Ca 0.08 -1.70 -0.07 0.00 0.82 0.00 0.00 66.70 65.83 3d1k h VAL 113 Cb 0.77 1.59 -0.03 0.00 -1.52 0.00 0.00 31.29 32.11 3d1k h VAL 113 CO 0.06 0.56 0.10 0.25 0.02 0.00 0.00 177.57 178.56 3d1k h LEU 114 N 0.69 0.89 -0.77 2.57 5.85 -0.78 -1.70 115.31 122.06 3d1k h LEU 114 Ca 0.02 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 3d1k h LEU 114 Cb 1.13 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.89 3d1k h LEU 114 CO 0.12 0.89 0.48 0.00 -0.34 0.00 0.00 178.44 179.58 3d1k h ALA 115 N 1.22 0.98 -0.43 1.25 0.00 -0.78 0.32 119.26 121.82 3d1k h ALA 115 Ca 0.18 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3d1k h ALA 115 Cb 0.38 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3d1k h ALA 115 CO 0.01 0.44 -0.01 0.00 0.00 0.00 0.00 179.25 179.69 3d1k h ALA 116 N 1.26 1.18 -0.15 0.00 0.00 -0.83 0.17 119.26 120.89 3d1k h ALA 116 Ca 0.28 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3d1k h ALA 116 Cb -0.06 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 3d1k h ALA 116 CO -0.05 0.53 -0.13 -0.22 0.00 0.00 0.00 179.25 179.38 3d1k h LYS 117 N 0.66 0.35 0.00 0.00 1.63 -0.72 -3.32 116.57 115.17 3d1k h LYS 117 Ca 0.13 -0.18 -0.10 0.00 -0.85 0.00 0.00 60.65 59.66 3d1k h LYS 117 Cb 0.42 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.04 3d1k h LYS 117 CO 0.02 0.72 -0.45 0.52 -3.45 0.00 0.00 179.45 176.81 3d1k h MET 118 N -0.02 0.00 0.00 1.90 2.86 -0.91 -3.49 114.93 115.27 3d1k h MET 118 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3d1k h MET 118 Cb 0.66 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.32 3d1k h MET 118 CO 0.03 0.45 0.00 0.41 1.06 0.00 0.00 176.91 178.87 3d1k n GLY 119 N 1.21 3.20 0.06 8.32 0.00 0.04 -1.36 105.19 116.65 3d1k n GLY 119 Ca 0.02 -0.20 0.06 0.00 0.00 0.00 0.00 46.02 45.90 3d1k n GLY 119 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3d1k n HIS 120 N 14.00 0.30 0.90 1.61 8.25 -1.26 -1.13 115.22 137.89 3d1k n HIS 120 Ca 0.00 0.14 0.13 0.00 -0.26 0.00 0.00 57.72 57.73 3d1k n HIS 120 Cb 0.00 -0.73 0.56 0.00 1.12 0.00 0.00 29.99 30.94 3d1k n HIS 120 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3d1k n ALA 121 N -1.61 2.20 -1.91 -1.41 0.00 -0.47 -4.11 120.51 113.20 3d1k n ALA 121 Ca 0.00 -0.09 -0.42 0.00 0.00 0.00 0.00 53.44 52.94 3d1k n ALA 121 Cb 0.06 -1.42 -0.00 0.00 0.00 0.00 0.00 19.45 18.09 3d1k n ALA 121 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3d1k n PHE 122 N -1.50 3.17 -1.14 0.00 7.35 -0.28 -4.89 117.46 120.18 3d1k n PHE 122 Ca 0.06 -2.92 -0.28 0.00 -0.76 0.00 0.00 57.45 53.55 3d1k n PHE 122 Cb 0.30 -2.31 0.18 0.00 0.35 0.00 0.00 39.48 38.01 3d1k n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3d1k s THR 123 N 1.91 2.01 0.21 -2.13 -4.23 -1.26 -4.66 115.64 107.50 3d1k s THR 123 Ca 0.47 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 60.90 3d1k s THR 123 Cb 0.13 -2.48 0.16 0.00 1.34 0.00 0.00 72.50 71.65 3d1k s THR 123 CO -0.06 -0.01 1.83 0.00 -0.54 0.00 0.00 174.62 175.85 3d1k h ALA 124 N -1.97 0.95 -0.31 3.99 0.00 -1.95 0.22 119.26 120.20 3d1k h ALA 124 Ca -0.55 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.28 3d1k h ALA 124 Cb 1.33 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 3d1k h ALA 124 CO 0.58 0.16 -0.10 1.49 0.00 0.00 0.00 179.25 181.37 3d1k h GLU 125 N 0.81 0.52 -0.19 0.00 4.81 -1.98 0.67 114.58 119.22 3d1k h GLU 125 Ca 0.31 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.36 3d1k h GLU 125 Cb 0.11 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 3d1k h GLU 125 CO -0.15 0.62 -0.00 1.15 -0.73 0.00 0.00 179.01 179.90 3d1k h THR 126 N 0.48 1.26 -0.78 0.32 2.02 -1.65 -2.09 112.91 112.46 3d1k h THR 126 Ca 0.09 -0.87 0.04 0.00 0.77 0.00 0.00 66.41 66.44 3d1k h THR 126 Cb 0.47 1.46 -0.05 0.00 -1.74 0.00 0.00 68.15 68.28 3d1k h THR 126 CO 0.03 0.26 0.49 -0.61 0.37 0.00 0.00 175.52 176.06 3d1k h GLN 127 N 0.09 0.92 -0.31 6.66 4.15 -0.31 -0.99 115.11 125.32 3d1k h GLN 127 Ca 0.05 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 3d1k h GLN 127 Cb 0.39 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 3d1k h GLN 127 CO 0.01 0.61 0.19 0.78 -1.93 0.00 0.00 178.83 178.48 3d1k h GLY 128 N 0.95 0.44 0.94 2.39 0.00 -0.71 0.65 103.07 107.72 3d1k h GLY 128 Ca 0.32 -0.18 -0.07 0.00 0.00 0.00 0.00 47.33 47.39 3d1k h GLY 128 CO -0.12 0.18 -0.06 0.00 0.00 0.00 0.00 176.54 176.53 3d1k h ALA 129 N 1.08 0.49 -0.49 3.60 0.00 -1.21 -1.10 119.26 121.62 3d1k h ALA 129 Ca 0.11 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 3d1k h ALA 129 Cb 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3d1k h ALA 129 CO -0.02 0.32 0.13 0.35 0.00 0.00 0.00 179.25 180.03 3d1k h PHE 130 N 0.47 0.81 -0.26 0.00 3.04 -1.03 -1.11 116.94 118.86 3d1k h PHE 130 Ca 0.09 -0.09 -0.08 0.00 3.98 0.00 0.00 57.97 61.87 3d1k h PHE 130 Cb 0.56 -0.23 -0.01 0.00 2.56 0.00 0.00 35.95 38.83 3d1k h PHE 130 CO 0.05 0.72 -0.18 1.96 -2.02 0.00 0.00 178.31 178.84 3d1k h GLN 131 N 0.67 0.46 -0.50 1.11 4.20 -0.85 -0.39 115.11 119.81 3d1k h GLN 131 Ca 0.16 -0.15 -0.05 0.00 0.06 0.00 0.00 58.65 58.67 3d1k h GLN 131 Cb 0.31 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 3d1k h GLN 131 CO -0.00 0.63 0.12 -0.22 -0.67 0.00 0.00 178.83 178.69 3d1k h LYS 132 N 0.42 0.81 0.06 1.46 3.64 -0.85 0.64 116.57 122.74 3d1k h LYS 132 Ca 0.07 -0.20 -0.00 0.00 -1.27 0.00 0.00 60.65 59.25 3d1k h LYS 132 Cb 0.56 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 3d1k h LYS 132 CO 0.04 0.78 -0.03 0.35 -2.27 0.00 0.00 179.45 178.32 3d1k h PHE 133 N 0.69 -0.07 -0.50 1.91 3.57 -0.91 -2.30 116.94 119.34 3d1k h PHE 133 Ca 0.16 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 3d1k h PHE 133 Cb 0.34 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 3d1k h PHE 133 CO 0.02 0.03 0.25 -0.07 -2.23 0.00 0.00 178.31 176.32 3d1k h LEU 134 N -0.16 0.61 -1.06 0.59 3.38 -0.95 -1.29 115.31 116.44 3d1k h LEU 134 Ca -0.01 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 3d1k h LEU 134 Cb 0.13 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3d1k h LEU 134 CO 0.01 0.51 -0.11 0.00 0.09 0.00 0.00 178.44 178.94 3d1k h ALA 135 N 1.59 1.21 -0.46 1.53 0.00 -0.66 0.16 119.26 122.64 3d1k h ALA 135 Ca 0.18 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 3d1k h ALA 135 Cb 0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3d1k h ALA 135 CO -0.03 0.51 -0.03 0.00 0.00 0.00 0.00 179.25 179.70 3d1k h ALA 136 N 1.38 0.62 -0.40 0.00 0.00 -0.81 0.19 119.26 120.25 3d1k h ALA 136 Ca 0.09 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 3d1k h ALA 136 Cb 0.50 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3d1k h ALA 136 CO 0.03 0.45 -0.11 0.28 0.00 0.00 0.00 179.25 179.90 3d1k h VAL 137 N 0.68 1.28 -0.84 0.00 2.07 -0.55 -1.39 116.25 117.50 3d1k h VAL 137 Ca 0.13 -1.20 0.01 0.00 0.82 0.00 0.00 66.70 66.45 3d1k h VAL 137 Cb 0.55 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 3d1k h VAL 137 CO 0.03 0.40 0.55 0.58 0.02 0.00 0.00 177.57 179.16 3d1k h VAL 138 N 0.59 1.21 -0.45 2.57 2.07 -0.54 0.44 116.25 122.13 3d1k h VAL 138 Ca 0.10 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 3d1k h VAL 138 Cb 0.64 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 3d1k h VAL 138 CO 0.04 0.21 0.24 -1.28 0.02 0.00 0.00 177.57 176.80 3d1k h SER 139 N 1.12 0.57 -0.20 0.57 0.87 -0.81 -2.37 113.55 113.31 3d1k h SER 139 Ca 0.31 -0.10 -0.07 0.00 -1.23 0.00 0.00 61.79 60.71 3d1k h SER 139 Cb -0.12 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.68 3d1k h SER 139 CO -0.07 0.50 -0.08 0.00 -0.53 0.00 0.00 176.83 176.65 3d1k h ALA 140 N 1.09 1.25 0.00 6.23 0.00 -0.64 -1.82 119.26 125.38 3d1k h ALA 140 Ca 0.16 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3d1k h ALA 140 Cb 0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3d1k h ALA 140 CO -0.02 0.49 -0.17 -0.07 0.00 0.00 0.00 179.25 179.48 3d1k h LEU 141 N 0.51 0.00 -0.70 0.00 3.38 -0.65 -2.28 115.31 115.57 3d1k h LEU 141 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3d1k h LEU 141 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3d1k h LEU 141 CO 0.02 0.17 -0.27 0.61 0.09 0.00 0.00 178.44 179.06 3d1k n GLY 142 N -0.15 -0.35 0.32 0.83 0.00 -0.81 -4.46 105.19 100.57 3d1k n GLY 142 Ca -0.01 -0.47 0.03 0.00 0.00 0.00 0.00 46.02 45.57 3d1k n GLY 142 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3d1k h LYS 143 N 1.71 0.87 -0.07 1.61 3.64 -0.74 -2.39 116.57 121.22 3d1k h LYS 143 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3d1k h LYS 143 Cb 0.58 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 3d1k h LYS 143 CO 0.00 0.58 0.00 1.04 -2.27 0.00 0.00 179.45 178.80 3d1k n GLN 144 N -4.67 1.39 -2.48 1.90 1.13 -1.26 -4.89 117.38 108.50 3d1k n GLN 144 Ca 0.14 -0.58 -0.33 0.00 -1.94 0.00 0.00 57.00 54.29 3d1k n GLN 144 Cb 0.25 -1.39 -0.03 0.00 0.11 0.00 0.00 30.24 29.18 3d1k n GLN 144 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 3d1k s TYR 145 N -1.92 3.08 -2.55 1.08 1.51 -0.90 -4.89 117.35 112.76 3d1k s TYR 145 Ca 0.34 1.56 0.28 0.00 -1.01 0.00 0.00 57.07 58.23 3d1k s TYR 145 Cb 0.17 -3.00 0.96 0.00 -0.11 0.00 0.00 41.96 39.98 3d1k s TYR 145 CO 0.27 -0.74 1.69 -2.39 -1.11 0.00 0.00 175.55 173.27