#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2km6 s THR 4 N 0.00 3.52 0.19 2.03 -4.23 -1.26 -4.83 115.64 111.06 2km6 s THR 4 Ca 0.00 1.05 -0.11 0.00 -1.18 0.00 0.00 61.69 61.45 2km6 s THR 4 Cb 0.00 -3.48 0.12 0.00 1.34 0.00 0.00 72.50 70.48 2km6 s THR 4 CO 0.00 -0.11 1.75 0.28 -0.54 0.00 0.00 174.62 176.00 2km6 h SER 5 N 1.86 0.19 0.06 3.99 0.02 -2.07 0.33 113.55 117.95 2km6 h SER 5 Ca -0.49 0.07 -0.08 0.00 -0.84 0.00 0.00 61.79 60.44 2km6 h SER 5 Cb 1.23 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.81 2km6 h SER 5 CO 0.60 0.13 -0.26 -0.65 -1.14 0.00 0.00 176.83 175.50 2km6 h PRO 6 N 0.38 0.33 0.00 3.45 0.11 -2.03 -2.89 132.00 131.35 2km6 h PRO 6 Ca 0.27 -0.12 -0.06 0.00 0.11 0.00 0.00 66.00 66.21 2km6 h PRO 6 Cb 0.31 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.39 2km6 h PRO 6 CO -0.28 0.57 -0.39 1.96 -0.21 0.00 0.00 178.00 179.66 2km6 h GLN 7 N 0.29 0.00 0.09 1.05 1.08 -1.81 -3.21 115.11 112.61 2km6 h GLN 7 Ca 0.04 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.25 2km6 h GLN 7 Cb 0.63 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.02 2km6 h GLN 7 CO 0.05 0.24 -0.42 1.25 -0.95 0.00 0.00 178.83 178.99 2km6 h LEU 8 N 0.00 -1.26 0.00 1.46 7.12 -0.12 -1.79 115.31 120.72 2km6 h LEU 8 Ca -0.01 0.13 -0.04 0.00 0.13 0.00 0.00 57.88 58.09 2km6 h LEU 8 Cb 1.21 0.46 -0.01 0.00 -0.53 0.00 0.00 40.66 41.79 2km6 h LEU 8 CO 0.03 -0.44 -0.26 -0.08 -0.13 0.00 0.00 178.44 177.56 2km6 h GLU 9 N -0.59 0.00 0.15 1.25 4.81 -1.72 -3.35 114.58 115.13 2km6 h GLU 9 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2km6 h GLU 9 Cb 0.60 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 2km6 h GLU 9 CO -0.23 0.20 -0.12 2.35 -0.73 0.00 0.00 179.01 180.48 2km6 h TRP 10 N 0.00 -0.31 -0.78 0.92 7.01 -1.36 0.15 115.95 121.58 2km6 h TRP 10 Ca -0.01 -0.00 -0.03 0.00 2.11 0.00 0.00 58.89 60.97 2km6 h TRP 10 Cb 1.16 0.12 -0.04 0.00 -2.10 0.00 0.00 29.16 28.30 2km6 h TRP 10 CO 0.00 -0.19 0.38 1.15 -2.79 0.00 0.00 178.44 177.00 2km6 h THR 11 N -0.28 1.24 0.10 2.65 2.02 -1.49 0.26 112.91 117.41 2km6 h THR 11 Ca -0.00 -0.66 -0.00 0.00 0.77 0.00 0.00 66.41 66.51 2km6 h THR 11 Cb 0.25 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 66.90 2km6 h THR 11 CO -0.01 0.28 -0.05 -0.07 0.37 0.00 0.00 175.52 176.04 2km6 h LEU 12 N 1.10 -0.11 -0.67 2.58 4.07 -1.67 -2.70 115.31 117.90 2km6 h LEU 12 Ca 0.27 -0.26 0.02 0.00 0.08 0.00 0.00 57.88 57.99 2km6 h LEU 12 Cb 0.09 0.03 -0.04 0.00 1.08 0.00 0.00 40.66 41.82 2km6 h LEU 12 CO -0.04 0.21 0.43 0.06 -1.08 0.00 0.00 178.44 178.02 2km6 h GLN 13 N -0.45 0.82 -0.64 1.13 3.07 -0.37 -0.90 115.11 117.78 2km6 h GLN 13 Ca -0.01 -0.05 0.03 0.00 0.09 0.00 0.00 58.65 58.71 2km6 h GLN 13 Cb 0.37 -0.19 -0.04 0.00 0.08 0.00 0.00 27.48 27.71 2km6 h GLN 13 CO 0.02 0.54 0.42 1.15 0.09 0.00 0.00 178.83 181.06 2km6 h THR 14 N 0.85 1.08 -0.09 1.86 2.02 -0.91 0.73 112.91 118.46 2km6 h THR 14 Ca 0.26 -0.26 -0.09 0.00 0.77 0.00 0.00 66.41 67.10 2km6 h THR 14 Cb -0.02 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 66.66 2km6 h THR 14 CO -0.09 0.14 -0.28 -0.07 0.37 0.00 0.00 175.52 175.58 2km6 h LEU 15 N 0.75 0.40 -0.72 2.58 3.38 -1.04 -3.14 115.31 117.53 2km6 h LEU 15 Ca 0.26 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.62 2km6 h LEU 15 Cb 0.08 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2km6 h LEU 15 CO -0.07 0.94 0.00 -0.07 0.09 0.00 0.00 178.44 179.33 2km6 h LEU 16 N -0.11 0.00 -0.01 1.67 3.38 -0.15 -1.02 115.31 119.08 2km6 h LEU 16 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2km6 h LEU 16 Cb 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 2km6 h LEU 16 CO 0.06 0.00 -0.08 -0.62 0.09 0.00 0.00 178.44 177.89 2km6 n GLU 17 N -2.99 0.05 -0.10 1.13 1.02 0.25 -3.51 120.64 116.49 2km6 n GLU 17 Ca 0.02 -0.01 -0.18 0.00 -0.02 0.00 0.00 57.16 56.98 2km6 n GLU 17 Cb 0.40 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.24 2km6 n GLU 17 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2km6 n GLN 18 N -1.47 0.54 -3.28 3.49 6.02 -0.59 -4.83 117.38 117.25 2km6 n GLN 18 Ca 0.07 0.45 -0.42 0.00 -0.01 0.00 0.00 57.00 57.10 2km6 n GLN 18 Cb 0.33 -1.64 -0.08 0.00 1.02 0.00 0.00 30.24 29.87 2km6 n GLN 18 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.06 175.57 2km6 s LEU 19 N -7.88 4.46 0.27 1.08 0.05 -0.49 -4.77 118.68 111.40 2km6 s LEU 19 Ca -0.28 -0.19 0.00 0.00 0.05 0.00 0.00 54.13 53.71 2km6 s LEU 19 Cb 0.07 -2.51 0.00 0.00 -2.05 0.00 0.00 46.19 41.70 2km6 s LEU 19 CO 0.46 -0.48 0.00 -0.46 -0.55 0.00 0.00 176.35 175.32 2km6 n ASN 20 N 5.67 -2.46 -0.36 1.48 0.23 -1.26 -4.49 115.26 114.07 2km6 n ASN 20 Ca -0.06 0.57 -0.08 0.00 -0.53 0.00 0.00 54.58 54.48 2km6 n ASN 20 Cb 0.49 2.47 -0.05 0.00 -2.08 0.00 0.00 39.78 40.60 2km6 n ASN 20 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2km6 h GLU 21 N 0.00 -0.06 0.00 -3.83 4.57 -1.92 -0.50 114.58 112.84 2km6 h GLU 21 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2km6 h GLU 21 Cb 0.00 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 2km6 h GLU 21 CO 0.00 -0.04 0.00 -3.47 -1.18 0.00 0.00 179.01 174.32 2km6 n ASP 22 N -5.34 0.98 -0.07 1.04 2.03 -1.26 -4.73 116.55 109.19 2km6 n ASP 22 Ca 0.04 -1.41 -0.15 0.00 0.52 0.00 0.00 54.79 53.79 2km6 n ASP 22 Cb 0.32 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.58 2km6 n ASP 22 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2km6 n GLU 23 N -0.20 0.68 0.24 -0.67 -0.58 -0.98 -4.12 120.64 115.02 2km6 n GLU 23 Ca 0.00 0.16 0.17 0.00 -0.42 0.00 0.00 57.16 57.06 2km6 n GLU 23 Cb 0.29 -1.61 0.73 0.00 -0.57 0.00 0.00 31.44 30.28 2km6 n GLU 23 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2km6 h LEU 24 N 0.02 0.00 -1.34 -4.62 5.85 -1.33 -1.69 115.31 112.19 2km6 h LEU 24 Ca -0.49 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.22 2km6 h LEU 24 Cb 2.04 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 43.05 2km6 h LEU 24 CO 0.01 0.00 0.27 0.11 -0.34 0.00 0.00 178.44 178.49 2km6 h LYS 25 N 0.00 0.72 0.00 1.25 1.57 -1.77 -0.63 116.57 117.72 2km6 h LYS 25 Ca 0.00 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 2km6 h LYS 25 Cb 0.34 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2km6 h LYS 25 CO 0.00 0.54 -0.04 1.03 -0.57 0.00 0.00 179.45 180.41 2km6 h SER 26 N 0.72 0.03 -0.40 0.86 0.87 -1.55 -3.31 113.55 110.78 2km6 h SER 26 Ca 0.18 -0.86 0.08 0.00 -1.23 0.00 0.00 61.79 59.97 2km6 h SER 26 Cb 0.04 -0.01 -0.09 0.00 -0.44 0.00 0.00 62.40 61.90 2km6 h SER 26 CO -0.03 0.89 -0.26 0.15 -0.53 0.00 0.00 176.83 177.05 2km6 h PHE 27 N -0.82 -0.68 -0.24 2.24 3.04 -1.40 0.15 116.94 119.23 2km6 h PHE 27 Ca -0.01 0.05 0.00 0.00 3.98 0.00 0.00 57.97 62.00 2km6 h PHE 27 Cb 0.90 0.36 -0.01 0.00 2.56 0.00 0.00 35.95 39.75 2km6 h PHE 27 CO 0.23 -0.33 0.16 0.87 -2.02 0.00 0.00 178.31 177.21 2km6 h LYS 28 N -0.19 0.31 0.18 1.11 1.57 -1.28 -1.54 116.57 116.73 2km6 h LYS 28 Ca 0.19 -0.02 -0.31 0.00 -1.87 0.00 0.00 60.65 58.64 2km6 h LYS 28 Cb 0.49 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.74 2km6 h LYS 28 CO -0.51 0.20 -1.49 1.03 -0.57 0.00 0.00 179.45 178.12 2km6 h SER 29 N 0.32 0.59 -0.36 0.86 0.87 -1.09 -2.79 113.55 111.96 2km6 h SER 29 Ca 0.09 -0.92 -0.04 0.00 -1.23 0.00 0.00 61.79 59.69 2km6 h SER 29 Cb -0.03 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.71 2km6 h SER 29 CO -0.02 1.68 0.09 -0.07 -0.53 0.00 0.00 176.83 177.99 2km6 h LEU 30 N -0.05 0.61 -0.93 2.23 3.38 -0.50 0.14 115.31 120.19 2km6 h LEU 30 Ca -0.29 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.47 2km6 h LEU 30 Cb 1.97 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 42.55 2km6 h LEU 30 CO 0.17 0.62 -0.52 0.25 0.09 0.00 0.00 178.44 179.04 2km6 h LEU 31 N 0.64 0.03 0.00 1.67 5.85 -1.38 -2.82 115.31 119.30 2km6 h LEU 31 Ca 0.14 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.85 2km6 h LEU 31 Cb 0.26 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.28 2km6 h LEU 31 CO -0.00 0.55 -0.53 1.87 -0.34 0.00 0.00 178.44 179.98 2km6 n TRP 32 N -3.92 0.01 0.10 1.25 -0.00 -0.28 -3.85 117.44 110.76 2km6 n TRP 32 Ca -0.01 0.00 0.10 0.00 -0.00 0.00 0.00 57.50 57.59 2km6 n TRP 32 Cb 0.54 -0.25 -0.01 0.00 -0.00 0.00 0.00 31.31 31.59 2km6 n TRP 32 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2km6 h ALA 33 N 2.98 0.54 -2.30 5.87 0.00 -0.55 -3.47 119.26 122.34 2km6 h ALA 33 Ca 0.00 -0.13 -0.50 0.00 0.00 0.00 0.00 54.91 54.28 2km6 h ALA 33 Cb 0.51 0.04 0.04 0.00 0.00 0.00 0.00 17.79 18.38 2km6 h ALA 33 CO 0.00 0.14 0.35 -0.59 0.00 0.00 0.00 179.25 179.15 2km6 s PHE 34 N -3.29 3.56 -0.39 0.00 -0.12 -1.14 -4.93 117.98 111.67 2km6 s PHE 34 Ca -0.01 1.27 -0.27 0.00 -0.05 0.00 0.00 56.93 57.87 2km6 s PHE 34 Cb 0.09 -2.67 -0.06 0.00 -0.63 0.00 0.00 43.02 39.75 2km6 s PHE 34 CO 0.79 -0.51 2.35 -0.35 -0.05 0.00 0.00 175.22 177.45 2km6 n PRO 35 N -2.26 1.37 -2.55 1.99 -0.04 -1.26 -4.92 135.00 127.32 2km6 n PRO 35 Ca 0.05 0.19 -0.35 0.00 -0.04 0.00 0.00 63.50 63.35 2km6 n PRO 35 Cb 0.54 -3.36 -0.04 0.00 -0.04 0.00 0.00 33.50 30.60 2km6 n PRO 35 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2km6 s LEU 36 N 10.82 3.93 0.55 1.53 1.43 -1.26 -5.06 118.68 130.62 2km6 s LEU 36 Ca 0.99 1.96 0.06 0.00 -1.03 0.00 0.00 54.13 56.11 2km6 s LEU 36 Cb -0.24 -4.45 0.05 0.00 0.03 0.00 0.00 46.19 41.57 2km6 s LEU 36 CO 0.30 -0.70 0.45 -1.61 0.23 0.00 0.00 176.35 175.02 2km6 s GLU 37 N -3.02 2.26 0.12 1.70 2.02 -1.26 -4.79 118.70 115.73 2km6 s GLU 37 Ca 0.65 -1.98 -0.28 0.00 0.02 0.00 0.00 54.97 53.38 2km6 s GLU 37 Cb -0.18 -2.16 -0.08 0.00 0.10 0.00 0.00 34.13 31.81 2km6 s GLU 37 CO 0.22 -0.65 1.47 0.22 0.02 0.00 0.00 175.26 176.53 2km6 h ASP 38 N 0.68 -1.72 0.46 -0.19 3.58 -1.98 0.61 116.42 117.85 2km6 h ASP 38 Ca -0.36 0.24 -0.10 0.00 0.42 0.00 0.00 57.03 57.23 2km6 h ASP 38 Cb 1.30 0.73 -0.01 0.00 1.72 0.00 0.00 39.33 43.07 2km6 h ASP 38 CO 0.55 -0.28 -0.48 0.58 -2.88 0.00 0.00 179.24 176.73 2km6 h VAL 39 N -0.20 1.35 0.04 2.25 2.07 -1.96 -2.16 116.25 117.63 2km6 h VAL 39 Ca 0.09 -1.66 -0.23 0.00 0.82 0.00 0.00 66.70 65.73 2km6 h VAL 39 Cb 0.44 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 2km6 h VAL 39 CO -0.64 0.48 -1.06 -0.07 0.02 0.00 0.00 177.57 176.30 2km6 h LEU 40 N 0.03 0.14 -0.34 2.57 3.38 -1.62 -1.97 115.31 117.49 2km6 h LEU 40 Ca -0.00 -0.14 -0.19 0.00 0.09 0.00 0.00 57.88 57.63 2km6 h LEU 40 Cb 0.86 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 2km6 h LEU 40 CO 0.06 1.10 -0.82 -0.61 0.09 0.00 0.00 178.44 178.27 2km6 h GLN 41 N 0.03 0.31 -0.23 1.13 4.15 0.39 -2.66 115.11 118.22 2km6 h GLN 41 Ca -0.05 -0.29 0.00 0.00 0.77 0.00 0.00 58.65 59.08 2km6 h GLN 41 Cb 1.81 0.07 0.00 0.00 0.21 0.00 0.00 27.48 29.57 2km6 h GLN 41 CO 0.15 0.97 0.00 0.36 -1.93 0.00 0.00 178.83 178.38 2km6 n LYS 42 N -3.75 1.69 -1.65 1.69 2.85 -0.83 -4.88 118.16 113.27 2km6 n LYS 42 Ca -0.04 -1.05 -0.42 0.00 -1.05 0.00 0.00 58.31 55.74 2km6 n LYS 42 Cb 0.76 -1.31 -0.03 0.00 -0.65 0.00 0.00 35.03 33.80 2km6 n LYS 42 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 2km6 n THR 43 N 0.31 0.72 -1.54 0.58 -1.04 -0.74 -4.83 114.28 107.73 2km6 n THR 43 Ca 0.13 -0.18 -0.35 0.00 -2.04 0.00 0.00 64.05 61.62 2km6 n THR 43 Cb 0.28 -2.34 -0.06 0.00 -1.82 0.00 0.00 70.33 66.39 2km6 n THR 43 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2km6 n PRO 44 N 7.66 0.76 0.12 -2.82 -0.04 -1.26 -4.81 135.00 134.62 2km6 n PRO 44 Ca 0.21 -0.07 -0.00 0.00 -0.04 0.00 0.00 63.50 63.60 2km6 n PRO 44 Cb 0.41 -3.01 0.27 0.00 -0.04 0.00 0.00 33.50 31.13 2km6 n PRO 44 CO 0.00 0.00 0.00 2.35 -0.04 0.00 0.00 175.50 177.81 2km6 h TRP 45 N 17.38 0.18 -0.53 0.54 2.91 -1.95 -1.99 115.95 132.50 2km6 h TRP 45 Ca -0.18 -0.04 0.04 0.00 1.13 0.00 0.00 58.89 59.84 2km6 h TRP 45 Cb 1.26 -0.04 -0.03 0.00 -0.51 0.00 0.00 29.16 29.83 2km6 h TRP 45 CO 1.01 0.52 0.35 0.77 -1.03 0.00 0.00 178.44 180.06 2km6 h SER 46 N 0.14 0.49 0.15 2.65 0.02 -1.99 0.39 113.55 115.40 2km6 h SER 46 Ca 0.01 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 2km6 h SER 46 Cb 0.74 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.17 2km6 h SER 46 CO 0.06 0.33 -0.07 -0.33 -1.14 0.00 0.00 176.83 175.67 2km6 h GLU 47 N 0.56 -0.20 -0.22 3.45 4.39 -1.82 -3.17 114.58 117.58 2km6 h GLU 47 Ca 0.22 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.92 2km6 h GLU 47 Cb 0.15 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 2km6 h GLU 47 CO -0.06 0.21 0.12 -0.39 -1.16 0.00 0.00 179.01 177.73 2km6 h VAL 48 N -0.70 1.08 0.62 3.13 -1.51 -0.53 -2.21 116.25 116.13 2km6 h VAL 48 Ca -0.02 -0.20 -0.03 0.00 -1.23 0.00 0.00 66.70 65.22 2km6 h VAL 48 Cb 0.50 0.78 0.01 0.00 -2.13 0.00 0.00 31.29 30.45 2km6 h VAL 48 CO 0.03 0.08 -0.30 -0.08 -1.23 0.00 0.00 177.57 176.08 2km6 h GLU 49 N 0.31 -0.80 -0.71 5.19 4.22 -0.34 -2.94 114.58 119.51 2km6 h GLU 49 Ca 0.08 0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.57 2km6 h GLU 49 Cb 0.02 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2km6 h GLU 49 CO -0.01 -0.48 0.00 0.39 -2.18 0.00 0.00 179.01 176.72 2km6 n GLU 50 N -5.39 2.13 -4.38 1.92 1.02 -1.06 -4.81 120.64 110.07 2km6 n GLU 50 Ca -0.12 -1.02 -0.32 0.00 -0.02 0.00 0.00 57.16 55.68 2km6 n GLU 50 Cb 0.35 -1.62 -0.10 0.00 -0.02 0.00 0.00 31.44 30.06 2km6 n GLU 50 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2km6 s ALA 51 N -1.61 3.11 0.03 0.62 0.00 -0.86 -5.06 121.76 117.99 2km6 s ALA 51 Ca 0.18 -1.01 -0.00 0.00 0.00 0.00 0.00 51.96 51.12 2km6 s ALA 51 Cb 0.13 -1.19 -0.03 0.00 0.00 0.00 0.00 23.12 22.03 2km6 s ALA 51 CO 0.07 0.63 -0.03 0.16 0.00 0.00 0.00 175.76 176.59 2km6 s ASP 52 N -1.53 0.33 0.48 0.00 1.47 -1.26 -4.76 116.67 111.39 2km6 s ASP 52 Ca 0.18 -0.66 0.00 0.00 1.18 0.00 0.00 52.55 53.25 2km6 s ASP 52 Cb -0.11 0.13 0.00 0.00 -0.34 0.00 0.00 42.92 42.60 2km6 s ASP 52 CO 0.09 -0.40 0.00 0.61 0.68 0.00 0.00 175.17 176.15 2km6 n GLY 53 N 1.11 1.27 0.29 2.12 0.00 -1.23 -1.07 105.19 107.68 2km6 n GLY 53 Ca -0.21 0.64 -0.06 0.00 0.00 0.00 0.00 46.02 46.39 2km6 n GLY 53 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2km6 h LYS 54 N 0.00 0.97 -0.41 1.61 3.64 -1.83 -1.92 116.57 118.63 2km6 h LYS 54 Ca 0.00 -0.11 -0.04 0.00 -1.27 0.00 0.00 60.65 59.23 2km6 h LYS 54 Cb 0.00 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.61 2km6 h LYS 54 CO 0.00 0.73 0.11 0.87 -2.27 0.00 0.00 179.45 178.88 2km6 h LYS 55 N 0.96 0.61 -0.30 1.90 1.79 -1.49 -1.73 116.57 118.31 2km6 h LYS 55 Ca 0.25 -0.10 -0.15 0.00 -2.18 0.00 0.00 60.65 58.46 2km6 h LYS 55 Cb 0.03 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 30.58 2km6 h LYS 55 CO -0.04 0.56 -0.41 1.25 -1.08 0.00 0.00 179.45 179.73 2km6 h LEU 56 N 0.60 0.87 -1.23 2.94 5.85 -1.37 -2.60 115.31 120.37 2km6 h LEU 56 Ca 0.14 -0.50 0.06 0.00 0.84 0.00 0.00 57.88 58.41 2km6 h LEU 56 Cb 0.22 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.95 2km6 h LEU 56 CO -0.00 1.20 0.55 0.00 -0.34 0.00 0.00 178.44 179.84 2km6 h ALA 57 N 0.69 1.56 -0.12 1.25 0.00 -0.95 -0.82 119.26 120.87 2km6 h ALA 57 Ca 0.03 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 2km6 h ALA 57 Cb 1.00 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2km6 h ALA 57 CO 0.10 0.32 -0.29 1.49 0.00 0.00 0.00 179.25 180.87 2km6 h GLU 58 N 0.95 0.23 0.12 0.00 4.81 -1.07 -0.44 114.58 119.17 2km6 h GLU 58 Ca 0.35 -0.08 -0.29 0.00 -0.13 0.00 0.00 59.36 59.21 2km6 h GLU 58 Cb 0.18 -0.02 0.03 0.00 0.63 0.00 0.00 28.75 29.57 2km6 h GLU 58 CO -0.12 0.50 -1.23 0.82 -0.73 0.00 0.00 179.01 178.25 2km6 h ILE 59 N 0.20 1.29 -0.76 2.32 2.04 -0.83 -2.89 117.51 118.89 2km6 h ILE 59 Ca 0.03 -2.46 0.01 0.00 1.00 0.00 0.00 64.86 63.44 2km6 h ILE 59 Cb 0.62 2.72 -0.04 0.00 -0.74 0.00 0.00 36.82 39.38 2km6 h ILE 59 CO 0.04 0.75 0.50 -0.07 0.00 0.00 0.00 178.15 179.37 2km6 h LEU 60 N 0.24 0.88 0.00 1.44 -0.00 -0.75 -1.33 115.31 115.79 2km6 h LEU 60 Ca -0.19 -0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.67 2km6 h LEU 60 Cb 1.91 -0.22 0.00 0.00 -0.00 0.00 0.00 40.66 42.35 2km6 h LEU 60 CO 0.24 0.64 0.00 1.33 -0.00 0.00 0.00 178.44 180.64 2km6 n VAL 61 N -4.55 0.10 0.02 1.22 0.24 -0.22 -0.94 118.33 114.20 2km6 n VAL 61 Ca 0.07 0.03 -0.18 0.00 -2.04 0.00 0.00 64.34 62.22 2km6 n VAL 61 Cb 0.02 -0.59 -0.14 0.00 -1.47 0.00 0.00 33.84 31.66 2km6 n VAL 61 CO 0.00 0.00 0.00 -1.13 -2.14 0.00 0.00 176.83 173.56 2km6 h ASN 62 N 0.00 0.35 0.09 -1.34 -1.24 -1.03 -3.40 115.58 109.01 2km6 h ASN 62 Ca 0.00 -0.70 -0.36 0.00 0.71 0.00 0.00 56.30 55.95 2km6 h ASN 62 Cb 0.18 -0.11 -0.07 0.00 0.73 0.00 0.00 38.32 39.05 2km6 h ASN 62 CO 0.00 1.62 -2.27 0.35 -1.29 0.00 0.00 177.43 175.84 2km6 n THR 63 N -3.40 1.43 -4.40 -3.57 -2.24 -0.98 -4.96 114.28 96.16 2km6 n THR 63 Ca -0.26 -0.84 -0.27 0.00 -2.27 0.00 0.00 64.05 60.42 2km6 n THR 63 Cb 1.05 -0.60 -0.11 0.00 -2.10 0.00 0.00 70.33 68.58 2km6 n THR 63 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2km6 s SER 64 N -5.63 3.61 0.43 3.42 0.01 -0.11 -4.80 113.70 110.62 2km6 s SER 64 Ca -0.10 -0.83 -0.14 0.00 1.31 0.00 0.00 55.95 56.19 2km6 s SER 64 Cb 0.06 -0.35 -0.08 0.00 0.21 0.00 0.00 66.02 65.87 2km6 s SER 64 CO 0.82 0.11 0.86 -0.44 0.41 0.00 0.00 173.24 175.00 2km6 s SER 65 N -2.78 6.65 0.42 2.44 0.01 -1.26 -4.37 113.70 114.81 2km6 s SER 65 Ca 0.22 1.37 0.15 0.00 1.31 0.00 0.00 55.95 59.00 2km6 s SER 65 Cb -0.08 -2.42 1.03 0.00 0.21 0.00 0.00 66.02 64.76 2km6 s SER 65 CO 0.11 -0.42 1.90 1.05 0.41 0.00 0.00 173.24 176.29 2km6 h GLU 66 N 1.39 0.44 0.00 12.44 4.11 -1.94 0.22 114.58 131.24 2km6 h GLU 66 Ca -0.47 -0.03 -0.03 0.00 0.07 0.00 0.00 59.36 58.90 2km6 h GLU 66 Cb 1.18 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.33 2km6 h GLU 66 CO 0.63 0.29 -0.13 -0.97 0.07 0.00 0.00 179.01 178.90 2km6 h ASN 67 N 0.45 0.00 0.10 3.06 -0.73 -1.99 0.10 115.58 116.57 2km6 h ASN 67 Ca 0.40 0.00 -0.36 0.00 1.87 0.00 0.00 56.30 58.21 2km6 h ASN 67 Cb 0.90 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.47 2km6 h ASN 67 CO -0.14 0.13 -2.03 1.87 -0.37 0.00 0.00 177.43 176.88 2km6 n TRP 68 N -3.97 1.04 0.05 0.67 -0.00 -0.03 -4.22 117.44 110.98 2km6 n TRP 68 Ca -0.02 0.23 0.01 0.00 -0.00 0.00 0.00 57.50 57.72 2km6 n TRP 68 Cb 0.21 -1.13 0.33 0.00 -0.00 0.00 0.00 31.31 30.73 2km6 n TRP 68 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 177.69 178.51 2km6 h ILE 69 N -0.03 1.19 0.00 5.87 2.04 -0.92 -0.43 117.51 125.24 2km6 h ILE 69 Ca -0.45 -0.80 -0.00 0.00 1.00 0.00 0.00 64.86 64.61 2km6 h ILE 69 Cb 1.96 1.07 -0.00 0.00 -0.74 0.00 0.00 36.82 39.11 2km6 h ILE 69 CO 0.03 0.26 -0.01 0.08 0.00 0.00 0.00 178.15 178.52 2km6 h ARG 70 N 0.38 0.00 0.02 2.37 0.11 -1.16 0.14 114.38 116.25 2km6 h ARG 70 Ca 0.08 0.00 -0.32 0.00 0.10 0.00 0.00 59.98 59.84 2km6 h ARG 70 Cb 0.36 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.40 2km6 h ARG 70 CO 0.02 0.01 -1.78 -1.71 0.10 0.00 0.00 179.97 176.61 2km6 n ASN 71 N -3.19 1.94 0.12 0.08 5.15 -0.59 -4.25 115.26 114.52 2km6 n ASN 71 Ca -0.02 0.33 -0.14 0.00 -0.60 0.00 0.00 54.58 54.15 2km6 n ASN 71 Cb 0.13 -0.88 -0.07 0.00 -0.53 0.00 0.00 39.78 38.43 2km6 n ASN 71 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2km6 h ALA 72 N -0.49 -0.70 -0.56 5.20 0.00 -0.24 -0.36 119.26 122.11 2km6 h ALA 72 Ca -0.47 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2km6 h ALA 72 Cb 1.54 0.66 -0.03 0.00 0.00 0.00 0.00 17.79 19.96 2km6 h ALA 72 CO -0.21 -0.96 0.36 0.00 0.00 0.00 0.00 179.25 178.45 2km6 h THR 73 N -0.63 1.15 -0.39 0.00 1.03 -1.00 0.29 112.91 113.36 2km6 h THR 73 Ca 0.02 -0.30 0.01 0.00 -0.01 0.00 0.00 66.41 66.13 2km6 h THR 73 Cb 0.66 0.34 -0.02 0.00 -1.07 0.00 0.00 68.15 68.06 2km6 h THR 73 CO -0.23 0.15 0.26 0.58 -0.01 0.00 0.00 175.52 176.27 2km6 h VAL 74 N 0.76 1.09 -0.32 0.00 2.07 -1.68 0.13 116.25 118.31 2km6 h VAL 74 Ca 0.20 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 2km6 h VAL 74 Cb -0.07 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 2km6 h VAL 74 CO -0.04 0.10 0.16 -1.13 0.02 0.00 0.00 177.57 176.67 2km6 h ASN 75 N 0.52 0.41 -0.14 0.57 -1.24 -0.42 0.13 115.58 115.41 2km6 h ASN 75 Ca 0.15 -0.12 -0.00 0.00 0.71 0.00 0.00 56.30 57.04 2km6 h ASN 75 Cb -0.05 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 38.89 2km6 h ASN 75 CO -0.04 0.41 0.08 0.40 -1.29 0.00 0.00 177.43 177.00 2km6 h ILE 76 N 0.38 1.08 -0.40 2.57 1.08 0.02 0.17 117.51 122.41 2km6 h ILE 76 Ca 0.11 -0.20 -0.03 0.00 -0.39 0.00 0.00 64.86 64.35 2km6 h ILE 76 Cb 0.11 0.95 -0.02 0.00 -3.07 0.00 0.00 36.82 34.79 2km6 h ILE 76 CO -0.01 0.07 0.12 -0.07 -0.69 0.00 0.00 178.15 177.57 2km6 h LEU 77 N 0.15 0.52 -0.57 1.44 4.07 -0.57 0.09 115.31 120.44 2km6 h LEU 77 Ca 0.05 -0.06 -0.13 0.00 0.08 0.00 0.00 57.88 57.82 2km6 h LEU 77 Cb 0.04 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.64 2km6 h LEU 77 CO -0.01 0.50 -0.25 -0.33 -1.08 0.00 0.00 178.44 177.27 2km6 h GLU 78 N 0.56 0.88 0.00 1.13 5.08 -0.24 -0.81 114.58 121.19 2km6 h GLU 78 Ca 0.13 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 2km6 h GLU 78 Cb 0.17 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2km6 h GLU 78 CO -0.01 1.03 0.00 0.39 -1.00 0.00 0.00 179.01 179.42 2km6 n GLU 79 N -4.10 0.10 0.00 2.33 4.71 0.56 -1.07 120.64 123.18 2km6 n GLU 79 Ca -0.00 0.31 0.14 0.00 -0.01 0.00 0.00 57.16 57.59 2km6 n GLU 79 Cb 0.46 -1.69 0.46 0.00 -1.01 0.00 0.00 31.44 29.67 2km6 n GLU 79 CO 0.00 0.00 0.00 -1.33 0.09 0.00 0.00 177.13 175.89 2km6 n MET 80 N -1.88 1.27 -1.67 3.49 2.81 -0.08 -4.91 117.12 116.15 2km6 n MET 80 Ca 0.03 -0.73 -0.09 0.00 -1.81 0.00 0.00 57.70 55.09 2km6 n MET 80 Cb 0.22 -1.48 -0.02 0.00 -0.71 0.00 0.00 33.22 31.22 2km6 n MET 80 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2km6 n ASN 81 N -0.22 -3.74 -4.72 7.83 5.15 -0.23 -5.00 115.26 114.32 2km6 n ASN 81 Ca 0.16 0.13 -0.38 0.00 -0.60 0.00 0.00 54.58 53.89 2km6 n ASN 81 Cb 0.35 -2.48 -0.06 0.00 -0.53 0.00 0.00 39.78 37.06 2km6 n ASN 81 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2km6 s LEU 82 N -2.40 4.28 -0.01 1.20 1.43 -0.38 -4.97 118.68 117.84 2km6 s LEU 82 Ca 0.00 0.84 -0.01 0.00 -1.03 0.00 0.00 54.13 53.92 2km6 s LEU 82 Cb 0.00 -2.71 -0.00 0.00 0.03 0.00 0.00 46.19 43.50 2km6 s LEU 82 CO 0.00 -0.00 -0.02 0.35 0.23 0.00 0.00 176.35 176.91 2km6 n THR 83 N 3.65 0.15 -0.17 5.49 -2.24 -1.26 -4.31 114.28 115.60 2km6 n THR 83 Ca -0.07 0.31 -0.04 0.00 -2.27 0.00 0.00 64.05 61.98 2km6 n THR 83 Cb 0.52 -1.40 -0.04 0.00 -2.10 0.00 0.00 70.33 67.30 2km6 n THR 83 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2km6 n GLU 84 N -2.68 -0.18 0.16 -0.78 0.28 -1.26 0.23 120.64 116.42 2km6 n GLU 84 Ca -0.01 0.95 0.04 0.00 -0.16 0.00 0.00 57.16 57.98 2km6 n GLU 84 Cb 0.04 -1.41 0.19 0.00 1.43 0.00 0.00 31.44 31.69 2km6 n GLU 84 CO 0.00 0.00 0.00 1.37 -0.16 0.00 0.00 177.13 178.34 2km6 h LEU 85 N 0.00 0.00 -0.79 -1.84 -0.00 -2.00 -2.87 115.31 107.81 2km6 h LEU 85 Ca 0.06 0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 57.82 2km6 h LEU 85 Cb 0.16 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.81 2km6 h LEU 85 CO -0.38 0.45 -0.41 0.00 -0.00 0.00 0.00 178.44 178.11 2km6 h LYS 87 N 0.34 0.00 -0.07 0.00 1.57 -0.00 0.22 116.57 118.63 2km6 h LYS 87 Ca 0.03 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.73 2km6 h LYS 87 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.18 2km6 h LYS 87 CO 0.07 0.00 -0.28 1.98 -0.57 0.00 0.00 179.45 180.65 2km6 h MET 88 N 0.00 0.32 -0.38 3.15 4.05 -1.19 -2.71 114.93 118.17 2km6 h MET 88 Ca 0.00 -0.25 0.00 0.00 -0.28 0.00 0.00 59.70 59.17 2km6 h MET 88 Cb 0.50 0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.33 2km6 h MET 88 CO 0.00 0.88 0.25 0.00 0.23 0.00 0.00 176.91 178.27 2km6 h ALA 89 N 0.44 0.49 0.00 0.39 0.00 -0.91 -1.64 119.26 118.03 2km6 h ALA 89 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2km6 h ALA 89 Cb 0.93 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2km6 h ALA 89 CO 0.06 -0.04 0.00 1.63 0.00 0.00 0.00 179.25 180.90 2km6 n LYS 90 N -4.81 0.09 0.00 0.00 5.02 0.71 0.17 118.16 119.34 2km6 n LYS 90 Ca 0.00 0.22 0.04 0.00 -2.02 0.00 0.00 58.31 56.55 2km6 n LYS 90 Cb 0.03 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.54 2km6 n LYS 90 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2km6 n ALA 91 N -1.27 2.72 0.06 7.82 0.00 -0.66 -4.81 120.51 124.38 2km6 n ALA 91 Ca 0.03 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.08 2km6 n ALA 91 Cb 0.05 -0.27 0.00 0.00 0.00 0.00 0.00 19.45 19.22 2km6 n ALA 91 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2km6 n GLU 92 N -0.34 0.00 -2.89 0.00 1.02 0.04 -4.91 120.64 113.55 2km6 n GLU 92 Ca 0.03 0.00 -0.44 0.00 -0.02 0.00 0.00 57.16 56.73 2km6 n GLU 92 Cb 0.16 -0.16 -0.00 0.00 -0.02 0.00 0.00 31.44 31.42 2km6 n GLU 92 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 2km6 s MET 93 N -1.63 4.00 0.01 3.49 -1.94 0.13 -4.95 119.30 118.40 2km6 s MET 93 Ca 0.00 -2.35 0.04 0.00 -1.71 0.00 0.00 55.69 51.66 2km6 s MET 93 Cb 0.00 -5.11 -0.03 0.00 2.01 0.00 0.00 34.83 31.70 2km6 s MET 93 CO 0.00 -1.84 -0.08 -1.64 -0.01 0.00 0.00 175.02 171.45 2km6 s MET 94 N 2.16 2.50 -0.10 2.03 -1.94 -1.26 -4.42 119.30 118.27 2km6 s MET 94 Ca 0.43 -0.75 -0.30 0.00 -1.71 0.00 0.00 55.69 53.36 2km6 s MET 94 Cb -0.02 -2.47 -0.03 0.00 2.01 0.00 0.00 34.83 34.32 2km6 s MET 94 CO -0.01 0.60 1.31 -1.83 -0.01 0.00 0.00 175.02 175.08 2km6 s GLU 95 N -1.41 4.26 -0.35 2.03 -1.05 -1.26 -4.97 118.70 115.95 2km6 s GLU 95 Ca 0.17 1.76 -0.25 0.00 -0.15 0.00 0.00 54.97 56.50 2km6 s GLU 95 Cb -0.11 -3.71 0.01 0.00 -0.44 0.00 0.00 34.13 29.88 2km6 s GLU 95 CO 0.07 -0.64 0.86 0.34 0.95 0.00 0.00 175.26 176.84 2km6 s ASP 96 N 1.98 6.65 -0.18 0.83 2.15 -1.26 -4.75 116.67 122.09 2km6 s ASP 96 Ca 0.58 0.56 0.13 0.00 0.43 0.00 0.00 52.55 54.25 2km6 s ASP 96 Cb -0.25 -2.44 0.31 0.00 -0.30 0.00 0.00 42.92 40.25 2km6 s ASP 96 CO 0.20 -0.77 1.26 0.61 -0.17 0.00 0.00 175.17 176.30 2km6 n GLY 97 N 4.35 1.43 0.00 2.66 0.00 -1.26 -5.23 105.19 107.14 2km6 n GLY 97 Ca 0.05 -0.37 0.14 0.00 0.00 0.00 0.00 46.02 45.84 2km6 n GLY 97 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26