#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 4.34 0.00 1.12 -4.23 -1.26 -5.06 115.64 110.56 2km6 s THR 4 Ca 0.00 -0.20 -0.25 0.00 -1.18 0.00 0.00 61.69 60.06 2km6 s THR 4 Cb 0.00 -2.91 -0.17 0.00 1.34 0.00 0.00 72.50 70.76 2km6 s THR 4 CO 0.00 0.51 1.25 -1.28 -0.54 0.00 0.00 174.62 174.56 2km6 h SER 5 N 6.33 -0.21 -0.38 3.99 0.87 -2.06 -0.87 113.55 121.22 2km6 h SER 5 Ca -0.38 -0.27 -0.14 0.00 -1.23 0.00 0.00 61.79 59.77 2km6 h SER 5 Cb 1.18 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 63.18 2km6 h SER 5 CO 0.64 0.18 -0.29 -0.65 -0.53 0.00 0.00 176.83 176.18 2km6 h PRO 6 N -0.63 0.91 -0.07 2.24 0.11 -2.01 -3.11 132.00 129.44 2km6 h PRO 6 Ca -0.02 -0.42 -0.09 0.00 0.11 0.00 0.00 66.00 65.58 2km6 h PRO 6 Cb 0.46 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.54 2km6 h PRO 6 CO 0.04 1.07 -0.35 1.96 -0.21 0.00 0.00 178.00 180.51 2km6 h GLN 7 N 0.77 0.13 0.02 1.05 7.50 -1.98 -0.19 115.11 122.42 2km6 h GLN 7 Ca 0.09 -0.05 0.01 0.00 0.50 0.00 0.00 58.65 59.19 2km6 h GLN 7 Cb 0.86 -0.01 -0.03 0.00 0.05 0.00 0.00 27.48 28.35 2km6 h GLN 7 CO 0.08 0.47 -0.30 1.25 -1.50 0.00 0.00 178.83 178.83 2km6 h LEU 8 N 0.12 -0.91 -0.73 1.46 5.85 -1.08 0.15 115.31 120.17 2km6 h LEU 8 Ca 0.01 0.10 -0.14 0.00 0.84 0.00 0.00 57.88 58.70 2km6 h LEU 8 Cb 0.68 0.34 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 2km6 h LEU 8 CO 0.05 -0.30 -0.57 -0.08 -0.34 0.00 0.00 178.44 177.20 2km6 h GLU 9 N -0.39 0.19 -0.21 1.25 4.81 -1.59 -2.63 114.58 116.01 2km6 h GLU 9 Ca 0.00 -0.12 0.02 0.00 -0.13 0.00 0.00 59.36 59.13 2km6 h GLU 9 Cb 0.41 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 2km6 h GLU 9 CO -0.18 0.71 0.07 2.35 -0.73 0.00 0.00 179.01 181.22 2km6 h TRP 10 N 0.14 0.13 -0.52 0.92 7.01 -0.82 0.18 115.95 122.99 2km6 h TRP 10 Ca -0.00 0.01 -0.10 0.00 2.11 0.00 0.00 58.89 60.91 2km6 h TRP 10 Cb 1.05 -0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 28.06 2km6 h TRP 10 CO 0.02 0.06 -0.06 1.15 -2.79 0.00 0.00 178.44 176.82 2km6 h THR 11 N 0.17 1.26 0.12 2.65 2.02 -0.45 0.80 112.91 119.48 2km6 h THR 11 Ca 0.09 -1.16 -0.01 0.00 0.77 0.00 0.00 66.41 66.10 2km6 h THR 11 Cb 0.06 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 2km6 h THR 11 CO -0.10 0.41 -0.06 -0.07 0.37 0.00 0.00 175.52 176.08 2km6 h LEU 12 N 0.85 -0.13 -0.59 2.58 3.38 -1.19 -2.99 115.31 117.21 2km6 h LEU 12 Ca 0.15 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2km6 h LEU 12 Cb 0.58 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 2km6 h LEU 12 CO 0.04 -0.01 0.29 0.06 0.09 0.00 0.00 178.44 178.90 2km6 h GLN 13 N -0.25 0.85 -0.85 1.13 3.07 -0.31 -2.46 115.11 116.29 2km6 h GLN 13 Ca -0.02 -0.12 0.08 0.00 0.09 0.00 0.00 58.65 58.68 2km6 h GLN 13 Cb 0.20 -0.15 -0.06 0.00 0.08 0.00 0.00 27.48 27.55 2km6 h GLN 13 CO 0.03 0.69 0.55 1.15 0.09 0.00 0.00 178.83 181.34 2km6 h THR 14 N 0.80 1.00 -0.10 1.86 2.02 -0.78 0.66 112.91 118.37 2km6 h THR 14 Ca 0.20 -0.30 -0.05 0.00 0.77 0.00 0.00 66.41 67.04 2km6 h THR 14 Cb 0.12 0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 66.57 2km6 h THR 14 CO -0.03 0.16 -0.12 -0.07 0.37 0.00 0.00 175.52 175.83 2km6 h LEU 15 N 0.87 0.29 -0.97 2.58 3.38 -1.36 -2.99 115.31 117.11 2km6 h LEU 15 Ca 0.38 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2km6 h LEU 15 Cb 0.34 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2km6 h LEU 15 CO -0.15 0.73 0.00 -0.07 0.09 0.00 0.00 178.44 179.04 2km6 h LEU 16 N -0.15 0.00 0.00 1.67 3.38 -0.69 -0.50 115.31 119.02 2km6 h LEU 16 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2km6 h LEU 16 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2km6 h LEU 16 CO 0.03 0.00 -0.11 -0.33 0.09 0.00 0.00 178.44 178.12 2km6 h GLU 17 N 0.00 0.00 0.11 1.13 5.08 0.32 -3.22 114.58 118.00 2km6 h GLU 17 Ca 0.00 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 57.99 2km6 h GLU 17 Cb 0.55 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 2km6 h GLU 17 CO 0.00 0.00 -2.03 1.04 -1.00 0.00 0.00 179.01 177.02 2km6 n GLN 18 N -2.62 0.75 -3.77 2.33 6.02 -0.37 -4.78 117.38 114.94 2km6 n GLN 18 Ca 0.04 0.25 -0.37 0.00 -0.01 0.00 0.00 57.00 56.92 2km6 n GLN 18 Cb 0.48 -1.70 -0.13 0.00 1.02 0.00 0.00 30.24 29.92 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 -6.99 3.81 0.11 1.08 0.05 -0.34 -4.85 118.68 111.56 2km6 s LEU 19 Ca -0.23 -0.72 0.00 0.00 0.05 0.00 0.00 54.13 53.23 2km6 s LEU 19 Cb 0.07 -1.87 0.00 0.00 -2.05 0.00 0.00 46.19 42.34 2km6 s LEU 19 CO 0.76 -0.19 0.00 -0.46 -0.55 0.00 0.00 176.35 175.91 2km6 n ASN 20 N 4.86 -0.95 -0.15 1.48 0.23 -1.26 -4.45 115.26 115.03 2km6 n ASN 20 Ca -0.15 0.24 -0.04 0.00 -0.53 0.00 0.00 54.58 54.11 2km6 n ASN 20 Cb 0.48 1.17 -0.03 0.00 -2.08 0.00 0.00 39.78 39.32 2km6 n ASN 20 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 2km6 n GLU 21 N -2.65 -0.15 0.00 -3.83 2.13 -1.26 -0.82 120.64 114.05 2km6 n GLU 21 Ca 0.00 0.86 0.00 0.00 0.66 0.00 0.00 57.16 58.68 2km6 n GLU 21 Cb 0.00 -1.27 0.00 0.00 0.27 0.00 0.00 31.44 30.44 2km6 n GLU 21 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2km6 n ASP 22 N -3.80 0.86 0.06 4.31 2.03 -1.26 -4.75 116.55 114.00 2km6 n ASP 22 Ca 0.01 -1.21 -0.16 0.00 0.52 0.00 0.00 54.79 53.95 2km6 n ASP 22 Cb 0.09 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.35 2km6 n ASP 22 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2km6 h GLU 23 N 0.00 0.23 0.00 -0.67 4.39 -1.77 -3.25 114.58 113.51 2km6 h GLU 23 Ca 0.00 -0.39 -0.08 0.00 0.34 0.00 0.00 59.36 59.23 2km6 h GLU 23 Cb 0.33 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 2km6 h GLU 23 CO 0.00 1.08 -0.37 1.25 -1.16 0.00 0.00 179.01 179.82 2km6 h LEU 24 N 0.06 0.00 -0.71 1.33 5.85 -1.20 -2.46 115.31 118.19 2km6 h LEU 24 Ca -0.24 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.53 2km6 h LEU 24 Cb 2.01 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.98 2km6 h LEU 24 CO 0.15 0.37 0.42 0.11 -0.34 0.00 0.00 178.44 179.15 2km6 h LYS 25 N 0.00 0.76 0.02 1.25 1.57 -1.73 0.26 116.57 118.69 2km6 h LYS 25 Ca -0.00 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2km6 h LYS 25 Cb 0.78 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.92 2km6 h LYS 25 CO 0.05 0.50 -0.01 0.77 -0.57 0.00 0.00 179.45 180.19 2km6 h SER 26 N 0.78 -0.02 -0.30 0.86 0.02 -1.58 -2.86 113.55 110.44 2km6 h SER 26 Ca 0.31 -0.36 0.07 0.00 -0.84 0.00 0.00 61.79 60.97 2km6 h SER 26 Cb 0.15 0.01 -0.08 0.00 0.14 0.00 0.00 62.40 62.62 2km6 h SER 26 CO -0.16 0.35 -0.24 0.15 -1.14 0.00 0.00 176.83 175.79 2km6 h PHE 27 N -0.40 -0.62 -0.53 3.45 3.04 -1.03 0.18 116.94 121.03 2km6 h PHE 27 Ca -0.00 0.04 0.10 0.00 3.98 0.00 0.00 57.97 62.09 2km6 h PHE 27 Cb 0.38 0.32 -0.08 0.00 2.56 0.00 0.00 35.95 39.13 2km6 h PHE 27 CO 0.05 -0.31 0.07 0.87 -2.02 0.00 0.00 178.31 176.97 2km6 h LYS 28 N -0.21 0.19 0.05 1.11 1.57 -0.53 -0.06 116.57 118.70 2km6 h LYS 28 Ca 0.16 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2km6 h LYS 28 Cb 0.46 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.72 2km6 h LYS 28 CO -0.43 0.13 -0.03 0.77 -0.57 0.00 0.00 179.45 179.33 2km6 h SER 29 N 0.20 -0.06 -0.92 0.86 0.02 -1.12 -1.30 113.55 111.22 2km6 h SER 29 Ca 0.27 -0.29 0.03 0.00 -0.84 0.00 0.00 61.79 60.96 2km6 h SER 29 Cb 0.40 0.02 -0.05 0.00 0.14 0.00 0.00 62.40 62.90 2km6 h SER 29 CO -0.38 0.26 0.61 -0.07 -1.14 0.00 0.00 176.83 176.10 2km6 h LEU 30 N -0.39 1.01 -0.98 5.07 3.38 -0.36 0.33 115.31 123.37 2km6 h LEU 30 Ca -0.01 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 2km6 h LEU 30 Cb 0.35 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2km6 h LEU 30 CO 0.01 0.70 0.07 0.25 0.09 0.00 0.00 178.44 179.56 2km6 h LEU 31 N 1.17 0.76 0.00 1.67 5.85 -0.95 -2.21 115.31 121.60 2km6 h LEU 31 Ca 0.36 -0.16 -0.07 0.00 0.84 0.00 0.00 57.88 58.85 2km6 h LEU 31 Cb -0.01 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 2km6 h LEU 31 CO -0.11 0.79 -0.35 -0.25 -0.34 0.00 0.00 178.44 178.19 2km6 h TRP 32 N 0.77 0.00 0.00 1.25 2.91 0.01 -3.26 115.95 117.62 2km6 h TRP 32 Ca 0.16 0.00 -0.14 0.00 1.13 0.00 0.00 58.89 60.04 2km6 h TRP 32 Cb 0.37 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.00 2km6 h TRP 32 CO 0.02 0.33 -0.66 0.00 -1.03 0.00 0.00 178.44 177.10 2km6 h ALA 33 N 1.67 0.91 -2.23 2.65 0.00 0.19 -3.44 119.26 119.01 2km6 h ALA 33 Ca -0.00 -0.60 -0.48 0.00 0.00 0.00 0.00 54.91 53.83 2km6 h ALA 33 Cb 1.25 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.95 2km6 h ALA 33 CO 0.04 0.82 0.28 -0.59 0.00 0.00 0.00 179.25 179.80 2km6 s PHE 34 N -3.51 3.45 -0.21 0.00 -0.12 -0.96 -4.97 117.98 111.65 2km6 s PHE 34 Ca -0.01 1.32 -0.29 0.00 -0.05 0.00 0.00 56.93 57.91 2km6 s PHE 34 Cb 0.12 -2.67 -0.04 0.00 -0.63 0.00 0.00 43.02 39.80 2km6 s PHE 34 CO 0.77 -0.25 1.94 -1.25 -0.05 0.00 0.00 175.22 176.38 2km6 s PRO 35 N -3.91 3.48 0.12 1.99 0.04 -1.26 -4.96 135.00 130.50 2km6 s PRO 35 Ca 0.56 1.87 -0.30 0.00 0.04 0.00 0.00 61.00 63.18 2km6 s PRO 35 Cb -0.10 -4.22 -0.06 0.00 0.04 0.00 0.00 34.50 30.16 2km6 s PRO 35 CO 0.30 -1.69 1.01 -0.51 0.04 0.00 0.00 177.00 176.15 2km6 s LEU 36 N 6.69 4.48 0.00 -3.56 1.43 -1.26 -5.04 118.68 121.42 2km6 s LEU 36 Ca 0.87 1.88 0.00 0.00 -1.03 0.00 0.00 54.13 55.85 2km6 s LEU 36 Cb -0.30 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.33 2km6 s LEU 36 CO 0.34 -0.14 0.00 -0.62 0.23 0.00 0.00 176.35 176.16 2km6 n GLU 37 N 2.82 1.48 -1.59 1.70 1.02 -1.26 -4.53 120.64 120.27 2km6 n GLU 37 Ca 0.03 0.00 -0.47 0.00 -0.02 0.00 0.00 57.16 56.70 2km6 n GLU 37 Cb 0.48 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.87 2km6 n GLU 37 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2km6 n ASP 38 N -2.25 1.49 0.00 1.62 8.00 -1.26 -0.04 116.55 124.11 2km6 n ASP 38 Ca 0.00 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.65 2km6 n ASP 38 Cb 0.00 -1.26 0.00 0.00 -0.02 0.00 0.00 41.12 39.84 2km6 n ASP 38 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2km6 n VAL 39 N 1.15 0.00 0.19 2.53 0.31 -1.26 -4.49 118.33 116.76 2km6 n VAL 39 Ca 0.13 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.53 2km6 n VAL 39 Cb 0.28 0.00 0.35 0.00 -0.91 0.00 0.00 33.84 33.56 2km6 n VAL 39 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2km6 h LEU 40 N 0.00 0.00 -2.54 7.52 5.85 -1.65 -2.80 115.31 121.69 2km6 h LEU 40 Ca 0.00 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 2km6 h LEU 40 Cb 0.00 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 2km6 h LEU 40 CO 0.00 0.34 0.10 1.67 -0.34 0.00 0.00 178.44 180.21 2km6 n GLN 41 N -3.48 1.20 0.00 1.25 7.27 0.94 -2.41 117.38 122.15 2km6 n GLN 41 Ca -0.00 -0.44 0.00 0.00 0.07 0.00 0.00 57.00 56.63 2km6 n GLN 41 Cb 0.50 -1.17 0.00 0.00 2.41 0.00 0.00 30.24 31.98 2km6 n GLN 41 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 2km6 n LYS 42 N 0.53 2.40 -0.92 3.69 4.81 -1.06 -5.06 118.16 122.56 2km6 n LYS 42 Ca 0.09 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 57.16 2km6 n LYS 42 Cb 0.62 -0.60 -0.09 0.00 0.02 0.00 0.00 35.03 34.98 2km6 n LYS 42 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 2km6 n THR 43 N -0.61 0.00 -1.54 3.15 -1.04 -1.01 -4.73 114.28 108.50 2km6 n THR 43 Ca 0.00 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.70 2km6 n THR 43 Cb 0.06 -0.34 -0.06 0.00 -1.82 0.00 0.00 70.33 68.17 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 5.40 0.78 -0.14 -2.82 -0.04 -1.26 -4.82 135.00 132.09 2km6 n PRO 44 Ca 0.40 -0.19 0.04 0.00 -0.04 0.00 0.00 63.50 63.72 2km6 n PRO 44 Cb -0.01 -3.19 0.35 0.00 -0.04 0.00 0.00 33.50 30.60 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 16.96 0.74 -0.53 0.54 2.91 -1.98 -0.47 115.95 134.12 2km6 h TRP 45 Ca -0.16 0.02 0.06 0.00 1.13 0.00 0.00 58.89 59.94 2km6 h TRP 45 Cb 1.21 -0.25 -0.03 0.00 -0.51 0.00 0.00 29.16 29.58 2km6 h TRP 45 CO 1.04 0.43 0.35 1.03 -1.03 0.00 0.00 178.44 180.26 2km6 h SER 46 N 0.76 0.42 0.11 2.65 0.87 -1.99 0.35 113.55 116.72 2km6 h SER 46 Ca 0.26 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.60 2km6 h SER 46 Cb 0.09 -0.09 0.02 0.00 -0.44 0.00 0.00 62.40 61.98 2km6 h SER 46 CO -0.07 0.28 -0.94 -0.33 -0.53 0.00 0.00 176.83 175.23 2km6 h GLU 47 N 0.48 0.44 0.00 2.24 4.39 -1.54 -3.22 114.58 117.38 2km6 h GLU 47 Ca 0.23 -0.63 -0.05 0.00 0.34 0.00 0.00 59.36 59.25 2km6 h GLU 47 Cb 0.29 0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 2km6 h GLU 47 CO -0.06 1.27 -0.25 -0.39 -1.16 0.00 0.00 179.01 178.42 2km6 h VAL 48 N -0.07 1.08 0.61 3.13 -1.51 0.04 -2.66 116.25 116.87 2km6 h VAL 48 Ca -0.15 -0.89 -0.03 0.00 -1.23 0.00 0.00 66.70 64.40 2km6 h VAL 48 Cb 1.69 1.49 0.01 0.00 -2.13 0.00 0.00 31.29 32.34 2km6 h VAL 48 CO 0.18 0.25 -0.29 -0.08 -1.23 0.00 0.00 177.57 176.39 2km6 h GLU 49 N 0.00 -0.79 -0.18 5.19 4.22 -0.43 -3.25 114.58 119.34 2km6 h GLU 49 Ca -0.00 0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.49 2km6 h GLU 49 Cb 0.47 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.90 2km6 h GLU 49 CO 0.03 -0.52 0.00 0.39 -2.18 0.00 0.00 179.01 176.73 2km6 n GLU 50 N -5.32 1.43 -3.90 1.92 1.02 -1.19 -4.74 120.64 109.86 2km6 n GLU 50 Ca -0.10 -0.67 -0.32 0.00 -0.02 0.00 0.00 57.16 56.05 2km6 n GLU 50 Cb 0.32 -1.15 -0.04 0.00 -0.02 0.00 0.00 31.44 30.55 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 -1.75 3.97 0.04 0.62 0.00 -1.01 -5.09 121.76 118.54 2km6 s ALA 51 Ca 0.13 -0.79 0.02 0.00 0.00 0.00 0.00 51.96 51.33 2km6 s ALA 51 Cb 0.07 -1.87 -0.02 0.00 0.00 0.00 0.00 23.12 21.29 2km6 s ALA 51 CO 0.09 0.78 -0.08 0.16 0.00 0.00 0.00 175.76 176.71 2km6 s ASP 52 N -2.23 0.91 0.49 0.00 -4.77 -1.26 -4.71 116.67 105.09 2km6 s ASP 52 Ca 0.32 -0.49 0.00 0.00 -3.30 0.00 0.00 52.55 49.07 2km6 s ASP 52 Cb -0.13 0.01 0.00 0.00 -1.09 0.00 0.00 42.92 41.71 2km6 s ASP 52 CO 0.23 -0.15 0.00 0.61 0.70 0.00 0.00 175.17 176.56 2km6 n GLY 53 N 1.66 0.77 0.10 2.12 0.00 -1.22 -1.17 105.19 107.45 2km6 n GLY 53 Ca -0.21 0.72 -0.10 0.00 0.00 0.00 0.00 46.02 46.43 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 0.19 -0.79 1.61 3.11 -1.84 -2.17 116.57 116.68 2km6 h LYS 54 Ca 0.00 -0.01 0.02 0.00 -2.81 0.00 0.00 60.65 57.85 2km6 h LYS 54 Cb 0.00 -0.04 -0.04 0.00 -1.00 0.00 0.00 32.23 31.15 2km6 h LYS 54 CO 0.00 0.12 0.52 0.87 -2.81 0.00 0.00 179.45 178.16 2km6 h LYS 55 N 0.19 0.99 -0.47 1.90 1.79 -1.53 -1.13 116.57 118.31 2km6 h LYS 55 Ca 0.07 -0.06 -0.06 0.00 -2.18 0.00 0.00 60.65 58.42 2km6 h LYS 55 Cb 0.01 -0.22 -0.02 0.00 -1.58 0.00 0.00 32.23 30.42 2km6 h LYS 55 CO -0.04 0.65 0.05 1.25 -1.08 0.00 0.00 179.45 180.28 2km6 h LEU 56 N 1.02 0.77 -1.42 2.94 5.85 -1.45 -2.27 115.31 120.74 2km6 h LEU 56 Ca 0.30 -0.28 0.04 0.00 0.84 0.00 0.00 57.88 58.79 2km6 h LEU 56 Cb -0.03 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.76 2km6 h LEU 56 CO -0.08 0.85 0.43 0.00 -0.34 0.00 0.00 178.44 179.31 2km6 h ALA 57 N 0.95 1.69 0.00 1.25 0.00 -0.80 0.04 119.26 122.39 2km6 h ALA 57 Ca 0.14 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 2km6 h ALA 57 Cb 0.43 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2km6 h ALA 57 CO 0.01 0.23 -0.25 1.49 0.00 0.00 0.00 179.25 180.73 2km6 h GLU 58 N 0.73 0.00 0.09 0.00 4.81 -0.69 0.86 114.58 120.37 2km6 h GLU 58 Ca 0.27 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 59.19 2km6 h GLU 58 Cb 0.15 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 2km6 h GLU 58 CO -0.08 0.25 -1.65 0.82 -0.73 0.00 0.00 179.01 177.62 2km6 h ILE 59 N 0.00 0.99 -0.54 2.32 2.04 -0.60 -3.15 117.51 118.56 2km6 h ILE 59 Ca -0.00 -2.70 -0.06 0.00 1.00 0.00 0.00 64.86 63.10 2km6 h ILE 59 Cb 0.57 2.63 -0.02 0.00 -0.74 0.00 0.00 36.82 39.25 2km6 h ILE 59 CO 0.03 0.76 0.11 -0.07 0.00 0.00 0.00 178.15 178.99 2km6 h LEU 60 N 0.05 0.84 0.00 1.44 -0.00 -0.68 -2.61 115.31 114.34 2km6 h LEU 60 Ca -0.28 -0.25 0.00 0.00 -0.00 0.00 0.00 57.88 57.35 2km6 h LEU 60 Cb 2.01 -0.22 0.00 0.00 -0.00 0.00 0.00 40.66 42.45 2km6 h LEU 60 CO 0.13 0.87 0.00 0.55 -0.00 0.00 0.00 178.44 179.99 2km6 n VAL 61 N -4.39 0.52 0.10 1.22 3.14 0.26 -1.90 118.33 117.29 2km6 n VAL 61 Ca 0.02 0.13 0.11 0.00 -2.96 0.00 0.00 64.34 61.65 2km6 n VAL 61 Cb 0.25 -0.81 -0.02 0.00 -1.06 0.00 0.00 33.84 32.20 2km6 n VAL 61 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 2km6 n ASN 62 N -1.37 0.74 -0.02 6.55 5.15 -0.99 -4.64 115.26 120.68 2km6 n ASN 62 Ca 0.07 0.28 -0.03 0.00 -0.60 0.00 0.00 54.58 54.30 2km6 n ASN 62 Cb 0.18 0.64 -0.01 0.00 -0.53 0.00 0.00 39.78 40.06 2km6 n ASN 62 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 2km6 n THR 63 N -2.62 0.92 -2.82 -0.44 -2.24 -0.84 -5.06 114.28 101.18 2km6 n THR 63 Ca -0.00 0.27 -0.20 0.00 -2.27 0.00 0.00 64.05 61.85 2km6 n THR 63 Cb 0.55 -1.77 0.04 0.00 -2.10 0.00 0.00 70.33 67.05 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 -5.44 5.29 0.22 3.42 0.01 -0.80 -4.72 113.70 111.68 2km6 s SER 64 Ca -0.11 -0.31 0.03 0.00 1.31 0.00 0.00 55.95 56.87 2km6 s SER 64 Cb 0.01 -0.54 -0.03 0.00 0.21 0.00 0.00 66.02 65.67 2km6 s SER 64 CO 0.16 -1.11 0.37 -0.55 0.41 0.00 0.00 173.24 172.52 2km6 s SER 65 N -4.46 6.34 0.30 2.44 0.15 -1.26 -4.57 113.70 112.63 2km6 s SER 65 Ca 0.58 0.21 0.04 0.00 0.70 0.00 0.00 55.95 57.49 2km6 s SER 65 Cb -0.09 -1.93 0.78 0.00 -1.71 0.00 0.00 66.02 63.07 2km6 s SER 65 CO 0.37 -0.05 1.64 1.05 1.20 0.00 0.00 173.24 177.45 2km6 h GLU 66 N 1.59 0.21 -0.04 5.44 9.09 -1.95 0.14 114.58 129.05 2km6 h GLU 66 Ca -0.50 -0.01 -0.05 0.00 0.05 0.00 0.00 59.36 58.84 2km6 h GLU 66 Cb 1.21 -0.05 -0.01 0.00 -1.65 0.00 0.00 28.75 28.25 2km6 h GLU 66 CO 0.65 0.14 -0.24 -0.97 0.05 0.00 0.00 179.01 178.64 2km6 h ASN 67 N 0.21 0.06 0.14 3.06 -1.24 -1.95 -0.04 115.58 115.83 2km6 h ASN 67 Ca 0.59 -0.01 -0.36 0.00 0.71 0.00 0.00 56.30 57.23 2km6 h ASN 67 Cb 1.22 -0.01 -0.05 0.00 0.73 0.00 0.00 38.32 40.21 2km6 h ASN 67 CO -0.66 0.30 -2.16 1.87 -1.29 0.00 0.00 177.43 175.49 2km6 n TRP 68 N -4.24 0.59 -0.14 0.67 -0.00 -0.14 -4.06 117.44 110.13 2km6 n TRP 68 Ca -0.02 0.16 0.01 0.00 -0.00 0.00 0.00 57.50 57.65 2km6 n TRP 68 Cb 0.31 -1.09 0.28 0.00 -0.00 0.00 0.00 31.31 30.81 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 0.02 1.18 -0.99 5.87 2.04 -0.47 0.14 117.51 125.29 2km6 h ILE 69 Ca -0.47 -0.41 0.03 0.00 1.00 0.00 0.00 64.86 65.01 2km6 h ILE 69 Cb 2.04 0.33 -0.05 0.00 -0.74 0.00 0.00 36.82 38.39 2km6 h ILE 69 CO 0.02 0.19 0.65 0.08 0.00 0.00 0.00 178.15 179.10 2km6 h ARG 70 N 0.84 1.26 -0.18 2.37 0.11 -1.18 0.69 114.38 118.29 2km6 h ARG 70 Ca 0.22 -0.08 -0.08 0.00 0.10 0.00 0.00 59.98 60.15 2km6 h ARG 70 Cb -0.01 -0.28 -0.00 0.00 1.11 0.00 0.00 29.97 30.78 2km6 h ARG 70 CO -0.04 0.83 -0.18 -0.97 0.10 0.00 0.00 179.97 179.71 2km6 h ASN 71 N 1.29 0.48 0.22 0.08 -1.24 -1.27 -2.16 115.58 112.98 2km6 h ASN 71 Ca 0.38 -0.48 0.01 0.00 0.71 0.00 0.00 56.30 56.93 2km6 h ASN 71 Cb -0.07 -0.13 -0.04 0.00 0.73 0.00 0.00 38.32 38.81 2km6 h ASN 71 CO -0.10 0.85 -0.46 0.00 -1.29 0.00 0.00 177.43 176.43 2km6 h ALA 72 N 0.64 -0.89 -0.61 1.57 0.00 0.02 0.23 119.26 120.22 2km6 h ALA 72 Ca 0.03 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 2km6 h ALA 72 Cb 0.72 0.74 -0.03 0.00 0.00 0.00 0.00 17.79 19.22 2km6 h ALA 72 CO 0.04 -1.06 0.12 0.00 0.00 0.00 0.00 179.25 178.36 2km6 h THR 73 N -0.76 1.25 -0.01 0.00 1.03 -0.95 0.20 112.91 113.67 2km6 h THR 73 Ca -0.01 -0.95 -0.00 0.00 -0.01 0.00 0.00 66.41 65.45 2km6 h THR 73 Cb 0.74 0.65 -0.00 0.00 -1.07 0.00 0.00 68.15 68.47 2km6 h THR 73 CO -0.20 0.35 0.01 0.58 -0.01 0.00 0.00 175.52 176.25 2km6 h VAL 74 N 0.93 1.04 -0.23 0.00 2.07 -1.02 -1.85 116.25 117.18 2km6 h VAL 74 Ca 0.19 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.61 2km6 h VAL 74 Cb 0.38 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 2km6 h VAL 74 CO 0.01 0.03 0.12 -1.13 0.02 0.00 0.00 177.57 176.62 2km6 h ASN 75 N -0.03 0.30 -0.38 0.57 -0.00 -0.12 0.81 115.58 116.74 2km6 h ASN 75 Ca 0.00 -0.10 0.01 0.00 -0.00 0.00 0.00 56.30 56.22 2km6 h ASN 75 Cb 0.04 -0.08 -0.02 0.00 -0.00 0.00 0.00 38.32 38.26 2km6 h ASN 75 CO -0.00 0.31 0.23 0.40 -0.00 0.00 0.00 177.43 178.37 2km6 h ILE 76 N 0.26 1.07 -0.65 2.57 1.08 -0.56 0.23 117.51 121.51 2km6 h ILE 76 Ca 0.08 -0.16 -0.02 0.00 -0.39 0.00 0.00 64.86 64.36 2km6 h ILE 76 Cb 0.08 0.55 -0.03 0.00 -3.07 0.00 0.00 36.82 34.35 2km6 h ILE 76 CO -0.01 0.09 0.30 -0.07 -0.69 0.00 0.00 178.15 177.77 2km6 h LEU 77 N 0.48 0.83 -0.71 1.44 4.07 -1.07 0.86 115.31 121.21 2km6 h LEU 77 Ca 0.14 -0.09 -0.08 0.00 0.08 0.00 0.00 57.88 57.93 2km6 h LEU 77 Cb -0.03 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 41.48 2km6 h LEU 77 CO -0.05 0.71 0.10 -0.33 -1.08 0.00 0.00 178.44 177.79 2km6 h GLU 78 N 0.91 1.09 0.00 1.13 5.08 -0.07 0.42 114.58 123.14 2km6 h GLU 78 Ca 0.22 -0.29 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 2km6 h GLU 78 Cb 0.11 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 2km6 h GLU 78 CO -0.03 1.00 -0.18 0.93 -1.00 0.00 0.00 179.01 179.73 2km6 h GLU 79 N 1.02 0.00 -0.01 2.33 4.39 0.56 -0.22 114.58 122.65 2km6 h GLU 79 Ca 0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.90 2km6 h GLU 79 Cb 0.45 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 2km6 h GLU 79 CO 0.01 0.18 -0.04 -1.33 -1.16 0.00 0.00 179.01 176.68 2km6 n MET 80 N -3.90 1.24 -1.22 2.33 2.81 0.19 -4.89 117.12 113.66 2km6 n MET 80 Ca -0.02 -0.52 -0.08 0.00 -1.81 0.00 0.00 57.70 55.28 2km6 n MET 80 Cb 0.27 -1.49 -0.03 0.00 -0.71 0.00 0.00 33.22 31.26 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 -0.43 -4.41 -4.75 7.83 5.15 -0.10 -4.97 115.26 113.59 2km6 n ASN 81 Ca 0.19 0.19 -0.41 0.00 -0.60 0.00 0.00 54.58 53.96 2km6 n ASN 81 Cb 0.27 -2.59 -0.04 0.00 -0.53 0.00 0.00 39.78 36.89 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 -1.76 4.54 0.00 1.20 1.43 0.07 -4.96 118.68 119.21 2km6 s LEU 82 Ca 0.00 2.12 -0.00 0.00 -1.03 0.00 0.00 54.13 55.22 2km6 s LEU 82 Cb 0.00 -3.61 -0.00 0.00 0.03 0.00 0.00 46.19 42.61 2km6 s LEU 82 CO 0.00 -0.12 -0.01 0.35 0.23 0.00 0.00 176.35 176.80 2km6 n THR 83 N 1.80 0.14 -0.18 5.49 -2.24 -1.26 -4.39 114.28 113.64 2km6 n THR 83 Ca 0.00 0.14 -0.05 0.00 -2.27 0.00 0.00 64.05 61.87 2km6 n THR 83 Cb 0.46 -1.18 -0.04 0.00 -2.10 0.00 0.00 70.33 67.46 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 -2.63 -0.19 0.14 -0.78 0.28 -1.26 0.20 120.64 116.40 2km6 n GLU 84 Ca -0.00 0.93 0.02 0.00 -0.16 0.00 0.00 57.16 57.95 2km6 n GLU 84 Cb 0.01 -1.38 0.09 0.00 1.43 0.00 0.00 31.44 31.60 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 -0.60 -1.84 8.10 -1.99 -2.87 115.31 116.11 2km6 h LEU 85 Ca 0.07 0.00 -0.14 0.00 0.11 0.00 0.00 57.88 57.92 2km6 h LEU 85 Cb 0.18 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.39 2km6 h LEU 85 CO -0.41 0.52 -0.39 0.00 -4.11 0.00 0.00 178.44 174.06 2km6 h LYS 87 N 0.56 0.00 -0.17 0.00 1.57 -0.19 0.18 116.57 118.52 2km6 h LYS 87 Ca 0.05 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.72 2km6 h LYS 87 Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.23 2km6 h LYS 87 CO 0.08 0.29 -0.32 0.52 -0.57 0.00 0.00 179.45 179.45 2km6 h MET 88 N 0.00 0.52 -0.41 3.15 2.86 -1.07 -2.60 114.93 117.39 2km6 h MET 88 Ca -0.00 -0.33 0.00 0.00 -2.06 0.00 0.00 59.70 57.31 2km6 h MET 88 Cb 0.53 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.21 2km6 h MET 88 CO 0.04 0.94 0.27 0.00 1.06 0.00 0.00 176.91 179.21 2km6 h ALA 89 N 0.58 0.52 0.00 6.32 0.00 -0.29 -0.96 119.26 125.43 2km6 h ALA 89 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2km6 h ALA 89 Cb 0.91 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2km6 h ALA 89 CO 0.07 -0.03 0.00 1.63 0.00 0.00 0.00 179.25 180.92 2km6 n LYS 90 N -4.80 0.14 0.00 0.00 5.02 0.57 -0.06 118.16 119.02 2km6 n LYS 90 Ca 0.01 0.55 0.06 0.00 -2.02 0.00 0.00 58.31 56.90 2km6 n LYS 90 Cb 0.02 -1.88 0.02 0.00 -0.02 0.00 0.00 35.03 33.17 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 -1.74 2.74 0.05 7.82 0.00 -0.57 -4.62 120.51 124.19 2km6 n ALA 91 Ca -0.00 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.94 2km6 n ALA 91 Cb 0.09 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.16 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 0.07 0.00 -0.68 0.00 1.02 -0.47 -4.78 120.64 115.79 2km6 n GLU 92 Ca 0.05 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.12 2km6 n GLU 92 Cb 0.25 -0.44 0.01 0.00 -0.02 0.00 0.00 31.44 31.25 2km6 n GLU 92 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2km6 n MET 93 N -3.42 1.37 -3.49 3.49 2.81 0.91 -4.36 117.12 114.44 2km6 n MET 93 Ca 0.00 -0.70 -0.27 0.00 -1.81 0.00 0.00 57.70 54.92 2km6 n MET 93 Cb 0.06 -1.29 -0.10 0.00 -0.71 0.00 0.00 33.22 31.19 2km6 n MET 93 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 2km6 n MET 94 N 1.02 0.89 -0.70 0.03 2.81 -1.25 -4.77 117.12 115.13 2km6 n MET 94 Ca 0.14 -3.64 0.00 0.00 -1.81 0.00 0.00 57.70 52.39 2km6 n MET 94 Cb 0.54 -1.80 0.00 0.00 -0.71 0.00 0.00 33.22 31.25 2km6 n MET 94 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 2km6 n GLU 95 N 2.21 1.60 -3.77 0.03 0.00 -1.26 -4.98 120.64 114.47 2km6 n GLU 95 Ca 0.26 0.00 -0.14 0.00 0.00 0.00 0.00 57.16 57.28 2km6 n GLU 95 Cb 0.45 0.00 -0.15 0.00 0.00 0.00 0.00 31.44 31.74 2km6 n GLU 95 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 2km6 s ASP 96 N -1.00 0.01 0.01 -1.84 2.15 -1.26 -4.99 116.67 109.76 2km6 s ASP 96 Ca 0.00 0.12 0.00 0.00 0.43 0.00 0.00 52.55 53.10 2km6 s ASP 96 Cb 0.00 0.02 0.00 0.00 -0.30 0.00 0.00 42.92 42.64 2km6 s ASP 96 CO 0.00 -0.13 0.00 0.61 -0.17 0.00 0.00 175.17 175.48 2km6 n GLY 97 N 4.10 -0.40 0.00 2.66 0.00 -1.26 -4.73 105.19 105.56 2km6 n GLY 97 Ca -0.26 0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2km6 n GLY 97 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26