#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 4.20 0.13 2.03 -4.23 -1.26 -5.03 115.64 111.48 2km6 s THR 4 Ca 0.00 -0.25 -0.24 0.00 -1.18 0.00 0.00 61.69 60.02 2km6 s THR 4 Cb 0.00 -2.86 -0.04 0.00 1.34 0.00 0.00 72.50 70.94 2km6 s THR 4 CO 0.00 0.48 1.65 0.28 -0.54 0.00 0.00 174.62 176.49 2km6 h SER 5 N 6.68 -0.66 -0.65 3.99 0.02 -2.04 0.16 113.55 121.05 2km6 h SER 5 Ca -0.33 0.10 -0.06 0.00 -0.84 0.00 0.00 61.79 60.66 2km6 h SER 5 Cb 1.18 0.29 -0.03 0.00 0.14 0.00 0.00 62.40 63.98 2km6 h SER 5 CO 0.66 -0.28 0.18 -0.65 -1.14 0.00 0.00 176.83 175.59 2km6 h PRO 6 N -0.32 1.05 -0.04 3.45 0.11 -1.98 -0.91 132.00 133.36 2km6 h PRO 6 Ca 0.08 -0.23 -0.25 0.00 0.11 0.00 0.00 66.00 65.71 2km6 h PRO 6 Cb 0.43 -0.15 0.01 0.00 0.11 0.00 0.00 31.00 31.40 2km6 h PRO 6 CO -0.24 0.92 -0.95 1.96 -0.21 0.00 0.00 178.00 179.47 2km6 h GLN 7 N 1.00 0.66 0.61 1.05 7.50 -1.93 0.83 115.11 124.82 2km6 h GLN 7 Ca 0.21 -0.66 -0.02 0.00 0.50 0.00 0.00 58.65 58.69 2km6 h GLN 7 Cb 0.33 0.17 -0.01 0.00 0.05 0.00 0.00 27.48 28.02 2km6 h GLN 7 CO -0.00 1.25 -0.44 1.25 -1.50 0.00 0.00 178.83 179.40 2km6 h LEU 8 N 0.39 -1.13 -1.19 1.46 5.85 -0.54 0.22 115.31 120.38 2km6 h LEU 8 Ca -0.10 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 2km6 h LEU 8 Cb 1.59 0.35 -0.03 0.00 0.37 0.00 0.00 40.66 42.94 2km6 h LEU 8 CO 0.18 -0.64 0.36 -0.08 -0.34 0.00 0.00 178.44 177.92 2km6 h GLU 9 N -1.00 0.92 -0.15 1.25 4.81 -1.19 0.17 114.58 119.39 2km6 h GLU 9 Ca -0.07 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.06 2km6 h GLU 9 Cb 0.83 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 2km6 h GLU 9 CO 0.03 0.68 0.09 2.35 -0.73 0.00 0.00 179.01 181.44 2km6 h TRP 10 N 0.93 0.20 -0.53 0.92 7.01 -0.57 0.22 115.95 124.13 2km6 h TRP 10 Ca 0.24 0.00 -0.06 0.00 2.11 0.00 0.00 58.89 61.17 2km6 h TRP 10 Cb 0.03 -0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 27.01 2km6 h TRP 10 CO 0.01 0.16 0.08 1.15 -2.79 0.00 0.00 178.44 177.05 2km6 h THR 11 N 0.17 1.25 0.42 2.65 2.02 0.37 0.48 112.91 120.28 2km6 h THR 11 Ca 0.05 -0.96 -0.01 0.00 0.77 0.00 0.00 66.41 66.26 2km6 h THR 11 Cb 0.02 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 2km6 h THR 11 CO -0.01 0.35 -0.29 -0.07 0.37 0.00 0.00 175.52 175.87 2km6 h LEU 12 N 0.76 -0.74 -0.51 2.58 3.38 -0.81 -2.73 115.31 117.25 2km6 h LEU 12 Ca 0.16 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.20 2km6 h LEU 12 Cb 0.41 0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 2km6 h LEU 12 CO 0.01 -0.45 0.31 0.06 0.09 0.00 0.00 178.44 178.47 2km6 h GLN 13 N -0.69 0.60 -0.40 1.13 3.07 -0.37 -1.71 115.11 116.74 2km6 h GLN 13 Ca -0.04 -0.04 0.05 0.00 0.09 0.00 0.00 58.65 58.71 2km6 h GLN 13 Cb 0.58 -0.14 -0.02 0.00 0.08 0.00 0.00 27.48 27.99 2km6 h GLN 13 CO 0.02 0.40 0.27 1.15 0.09 0.00 0.00 178.83 180.76 2km6 h THR 14 N 0.62 0.98 0.21 1.86 2.02 -0.80 0.44 112.91 118.24 2km6 h THR 14 Ca 0.20 -0.12 -0.28 0.00 0.77 0.00 0.00 66.41 66.98 2km6 h THR 14 Cb -0.00 0.61 0.03 0.00 -1.74 0.00 0.00 68.15 67.05 2km6 h THR 14 CO -0.08 0.06 -1.22 -0.07 0.37 0.00 0.00 175.52 174.58 2km6 h LEU 15 N 0.35 0.71 -0.79 2.58 3.38 -1.14 -3.27 115.31 117.12 2km6 h LEU 15 Ca 0.17 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.21 2km6 h LEU 15 Cb 0.25 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2km6 h LEU 15 CO -0.04 1.59 0.00 -0.07 0.09 0.00 0.00 178.44 180.01 2km6 h LEU 16 N -0.05 0.00 -0.56 1.67 3.38 -0.30 -0.14 115.31 119.32 2km6 h LEU 16 Ca -0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2km6 h LEU 16 Cb 1.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.72 2km6 h LEU 16 CO 0.23 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 178.14 2km6 n GLU 17 N -2.62 1.38 -0.08 1.13 1.02 0.14 -3.74 120.64 117.87 2km6 n GLU 17 Ca 0.02 -0.55 -0.17 0.00 -0.02 0.00 0.00 57.16 56.44 2km6 n GLU 17 Cb 0.32 -1.45 -0.06 0.00 -0.02 0.00 0.00 31.44 30.22 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 -0.30 0.38 -3.21 3.49 6.02 -0.20 -4.89 117.38 118.66 2km6 n GLN 18 Ca 0.20 0.16 -0.42 0.00 -0.01 0.00 0.00 57.00 56.93 2km6 n GLN 18 Cb 0.24 -1.14 -0.08 0.00 1.02 0.00 0.00 30.24 30.28 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 -7.08 4.53 0.00 1.08 0.05 -0.38 -4.69 118.68 112.18 2km6 s LEU 19 Ca -0.24 -0.29 0.00 0.00 0.05 0.00 0.00 54.13 53.64 2km6 s LEU 19 Cb 0.09 -2.59 0.00 0.00 -2.05 0.00 0.00 46.19 41.63 2km6 s LEU 19 CO 0.31 -0.62 0.00 -0.46 -0.55 0.00 0.00 176.35 175.04 2km6 n ASN 20 N 5.91 0.00 0.00 1.48 0.23 -1.26 -4.45 115.26 117.17 2km6 n ASN 20 Ca -0.04 0.00 -0.00 0.00 -0.53 0.00 0.00 54.58 54.00 2km6 n ASN 20 Cb 0.48 0.03 -0.00 0.00 -2.08 0.00 0.00 39.78 38.20 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 -0.02 0.00 -3.83 4.81 -1.92 -3.12 114.58 110.50 2km6 h GLU 21 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2km6 h GLU 21 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2km6 h GLU 21 CO 0.00 -0.01 0.00 -0.25 -0.73 0.00 0.00 179.01 178.02 2km6 n ASP 22 N -2.62 1.38 0.06 1.04 8.00 -1.26 -4.69 116.55 118.45 2km6 n ASP 22 Ca -0.00 -1.39 -0.16 0.00 0.71 0.00 0.00 54.79 53.95 2km6 n ASP 22 Cb 0.01 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 40.97 2km6 n ASP 22 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2km6 h GLU 23 N 0.00 0.23 0.00 -1.24 4.39 -1.90 -3.31 114.58 112.76 2km6 h GLU 23 Ca 0.00 -0.39 -0.11 0.00 0.34 0.00 0.00 59.36 59.21 2km6 h GLU 23 Cb 0.20 0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.98 2km6 h GLU 23 CO 0.00 1.08 -0.50 1.25 -1.16 0.00 0.00 179.01 179.68 2km6 h LEU 24 N 0.06 0.00 -0.48 1.33 5.85 -1.76 -1.51 115.31 118.80 2km6 h LEU 24 Ca -0.24 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.51 2km6 h LEU 24 Cb 2.01 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 43.00 2km6 h LEU 24 CO 0.16 0.50 0.27 0.11 -0.34 0.00 0.00 178.44 179.13 2km6 h LYS 25 N 0.00 0.51 0.46 1.25 1.57 -1.80 0.24 116.57 118.80 2km6 h LYS 25 Ca -0.01 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 2km6 h LYS 25 Cb 0.89 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.09 2km6 h LYS 25 CO 0.07 0.34 -0.22 0.77 -0.57 0.00 0.00 179.45 179.83 2km6 h SER 26 N 0.53 -0.52 -0.52 0.86 0.02 -1.56 -2.63 113.55 109.74 2km6 h SER 26 Ca 0.20 -0.06 0.10 0.00 -0.84 0.00 0.00 61.79 61.19 2km6 h SER 26 Cb 0.06 0.13 -0.08 0.00 0.14 0.00 0.00 62.40 62.65 2km6 h SER 26 CO -0.11 -0.25 0.04 0.15 -1.14 0.00 0.00 176.83 175.52 2km6 h PHE 27 N -0.78 0.03 -0.87 3.45 3.04 -0.84 0.18 116.94 121.15 2km6 h PHE 27 Ca -0.06 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 61.91 2km6 h PHE 27 Cb 0.55 0.06 -0.04 0.00 2.56 0.00 0.00 35.95 39.08 2km6 h PHE 27 CO -0.01 -0.09 0.50 0.87 -2.02 0.00 0.00 178.31 177.56 2km6 h LYS 28 N 0.16 1.21 -0.23 1.11 1.57 -0.57 -1.79 116.57 118.04 2km6 h LYS 28 Ca 0.26 -0.13 -0.19 0.00 -1.87 0.00 0.00 60.65 58.73 2km6 h LYS 28 Cb 0.39 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.46 2km6 h LYS 28 CO -0.40 0.87 -0.60 1.03 -0.57 0.00 0.00 179.45 179.78 2km6 h SER 29 N 1.22 0.85 0.16 0.86 0.87 -0.78 -2.66 113.55 114.07 2km6 h SER 29 Ca 0.31 -0.48 -0.10 0.00 -1.23 0.00 0.00 61.79 60.29 2km6 h SER 29 Cb 0.00 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.71 2km6 h SER 29 CO -0.05 1.25 -0.35 -0.07 -0.53 0.00 0.00 176.83 177.08 2km6 h LEU 30 N 0.56 0.27 -0.00 2.23 3.38 -0.41 -0.37 115.31 120.97 2km6 h LEU 30 Ca -0.00 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2km6 h LEU 30 Cb 1.20 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2km6 h LEU 30 CO 0.12 0.61 0.00 0.00 0.09 0.00 0.00 178.44 179.27 2km6 n LEU 31 N -4.08 0.82 0.02 1.67 -0.00 -0.70 -2.19 117.00 112.55 2km6 n LEU 31 Ca -0.01 0.58 0.12 0.00 -0.00 0.00 0.00 56.01 56.69 2km6 n LEU 31 Cb 0.44 -0.32 0.13 0.00 -0.00 0.00 0.00 43.42 43.67 2km6 n LEU 31 CO 0.41 -0.18 0.25 1.87 -0.00 0.00 0.00 177.39 179.73 2km6 n TRP 32 N -2.27 0.17 0.07 1.47 -0.00 -0.54 -4.02 117.44 112.32 2km6 n TRP 32 Ca 0.06 0.05 -0.03 0.00 -0.00 0.00 0.00 57.50 57.57 2km6 n TRP 32 Cb 0.43 -0.35 -0.07 0.00 -0.00 0.00 0.00 31.31 31.32 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 2.78 0.57 -2.37 5.87 0.00 -0.61 -3.46 119.26 122.04 2km6 h ALA 33 Ca 0.00 -0.85 -0.50 0.00 0.00 0.00 0.00 54.91 53.56 2km6 h ALA 33 Cb 0.61 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2km6 h ALA 33 CO 0.00 1.06 0.04 -0.59 0.00 0.00 0.00 179.25 179.75 2km6 s PHE 34 N -2.81 3.42 -0.11 0.00 -0.12 -1.21 -5.01 117.98 112.14 2km6 s PHE 34 Ca 0.00 1.04 -0.29 0.00 -0.05 0.00 0.00 56.93 57.63 2km6 s PHE 34 Cb 0.09 -2.41 -0.05 0.00 -0.63 0.00 0.00 43.02 40.02 2km6 s PHE 34 CO 0.80 0.08 1.70 -1.25 -0.05 0.00 0.00 175.22 176.50 2km6 s PRO 35 N -3.26 3.98 0.71 1.99 0.04 -1.26 -4.97 135.00 132.23 2km6 s PRO 35 Ca 0.51 2.04 -0.13 0.00 0.04 0.00 0.00 61.00 63.45 2km6 s PRO 35 Cb -0.10 -4.04 0.03 0.00 0.04 0.00 0.00 34.50 30.42 2km6 s PRO 35 CO 0.23 -1.09 1.12 -0.51 0.04 0.00 0.00 177.00 176.79 2km6 s LEU 36 N 4.75 3.26 0.00 -3.56 1.43 -1.26 -5.06 118.68 118.24 2km6 s LEU 36 Ca 0.76 1.99 0.00 0.00 -1.03 0.00 0.00 54.13 55.85 2km6 s LEU 36 Cb -0.31 -4.55 0.00 0.00 0.03 0.00 0.00 46.19 41.36 2km6 s LEU 36 CO 0.31 -1.87 0.02 -0.62 0.23 0.00 0.00 176.35 174.41 2km6 n GLU 37 N -2.84 1.61 -1.55 1.70 1.02 -1.26 -4.99 120.64 114.34 2km6 n GLU 37 Ca 0.10 -0.23 -0.44 0.00 -0.02 0.00 0.00 57.16 56.58 2km6 n GLU 37 Cb 0.52 0.04 -0.01 0.00 -0.02 0.00 0.00 31.44 31.97 2km6 n GLU 37 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2km6 n ASP 38 N -1.65 0.67 0.00 1.62 5.75 -1.26 -2.01 116.55 119.67 2km6 n ASP 38 Ca -0.01 1.11 0.00 0.00 -0.01 0.00 0.00 54.79 55.88 2km6 n ASP 38 Cb 0.04 -1.23 0.00 0.00 -1.03 0.00 0.00 41.12 38.90 2km6 n ASP 38 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 2km6 n VAL 39 N -0.09 0.00 0.52 2.12 0.31 -1.26 -4.75 118.33 115.18 2km6 n VAL 39 Ca 0.11 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.56 2km6 n VAL 39 Cb 0.34 0.00 0.30 0.00 -0.91 0.00 0.00 33.84 33.57 2km6 n VAL 39 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2km6 h LEU 40 N 0.00 0.00 -7.95 7.52 3.38 -1.73 -3.41 115.31 113.13 2km6 h LEU 40 Ca 0.00 -0.04 -0.52 0.00 0.09 0.00 0.00 57.88 57.40 2km6 h LEU 40 Cb 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.68 2km6 h LEU 40 CO 0.00 0.02 1.65 -1.10 0.09 0.00 0.00 178.44 179.10 2km6 s GLN 41 N -3.14 3.33 0.00 1.13 1.11 -1.25 -1.71 119.66 119.13 2km6 s GLN 41 Ca 0.09 -1.52 0.00 0.00 0.01 0.00 0.00 55.36 53.94 2km6 s GLN 41 Cb 0.11 -5.39 0.00 0.00 -1.01 0.00 0.00 33.01 26.72 2km6 s GLN 41 CO 0.64 -2.94 0.00 0.36 0.01 0.00 0.00 175.29 173.36 2km6 n LYS 42 N 8.43 0.00 -0.66 2.91 2.85 -1.26 -5.12 118.16 125.31 2km6 n LYS 42 Ca 0.45 0.00 -0.17 0.00 -1.05 0.00 0.00 58.31 57.54 2km6 n LYS 42 Cb 0.47 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.78 2km6 n LYS 42 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2km6 n THR 43 N 0.00 0.00 -1.86 0.58 -2.24 -0.69 -4.78 114.28 105.28 2km6 n THR 43 Ca 0.00 -0.02 -0.22 0.00 -2.27 0.00 0.00 64.05 61.54 2km6 n THR 43 Cb 0.00 -0.20 -0.07 0.00 -2.10 0.00 0.00 70.33 67.97 2km6 n THR 43 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2km6 s PRO 44 N 3.87 2.10 0.40 -0.78 0.04 -1.26 -4.82 135.00 134.55 2km6 s PRO 44 Ca 0.60 -0.24 0.08 0.00 0.04 0.00 0.00 61.00 61.49 2km6 s PRO 44 Cb -0.54 -5.00 0.86 0.00 0.04 0.00 0.00 34.50 29.86 2km6 s PRO 44 CO 0.22 -4.05 2.00 2.35 0.04 0.00 0.00 177.00 177.56 2km6 h TRP 45 N 11.46 0.58 -0.04 0.56 2.91 -1.98 -1.67 115.95 127.77 2km6 h TRP 45 Ca 0.08 0.01 -0.03 0.00 1.13 0.00 0.00 58.89 60.08 2km6 h TRP 45 Cb 0.99 -0.19 -0.01 0.00 -0.51 0.00 0.00 29.16 29.44 2km6 h TRP 45 CO 1.18 0.32 -0.13 0.77 -1.03 0.00 0.00 178.44 179.55 2km6 h SER 46 N 0.59 0.05 0.64 2.65 0.02 -1.99 0.46 113.55 115.98 2km6 h SER 46 Ca 0.24 -0.01 -0.23 0.00 -0.84 0.00 0.00 61.79 60.95 2km6 h SER 46 Cb 0.21 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 2km6 h SER 46 CO -0.07 0.19 -1.05 -0.33 -1.14 0.00 0.00 176.83 174.43 2km6 h GLU 47 N 0.05 0.22 0.00 3.45 5.08 -1.73 -2.93 114.58 118.72 2km6 h GLU 47 Ca 0.01 -0.31 -0.08 0.00 -1.00 0.00 0.00 59.36 57.99 2km6 h GLU 47 Cb 0.26 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2km6 h GLU 47 CO 0.02 1.09 -0.36 -0.39 -1.00 0.00 0.00 179.01 178.36 2km6 h VAL 48 N 0.09 0.75 -0.08 3.13 -1.51 -0.61 -2.99 116.25 115.03 2km6 h VAL 48 Ca -0.08 -1.60 -0.02 0.00 -1.23 0.00 0.00 66.70 63.77 2km6 h VAL 48 Cb 1.75 2.03 -0.00 0.00 -2.13 0.00 0.00 31.29 32.94 2km6 h VAL 48 CO 0.17 0.35 -0.04 -0.08 -1.23 0.00 0.00 177.57 176.74 2km6 h GLU 49 N 0.00 0.17 -0.10 5.19 4.22 -0.05 -2.98 114.58 121.04 2km6 h GLU 49 Ca -0.00 -0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.36 2km6 h GLU 49 Cb 1.00 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.25 2km6 h GLU 49 CO 0.05 0.53 0.00 0.39 -2.18 0.00 0.00 179.01 177.80 2km6 n GLU 50 N -4.76 1.44 -4.10 1.92 1.02 -1.11 -4.78 120.64 110.26 2km6 n GLU 50 Ca -0.07 -0.66 -0.36 0.00 -0.02 0.00 0.00 57.16 56.06 2km6 n GLU 50 Cb 0.26 -1.36 -0.08 0.00 -0.02 0.00 0.00 31.44 30.24 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 -1.88 3.54 0.04 0.62 0.00 -1.13 -5.05 121.76 117.91 2km6 s ALA 51 Ca 0.31 -0.73 0.03 0.00 0.00 0.00 0.00 51.96 51.57 2km6 s ALA 51 Cb 0.16 -1.77 -0.02 0.00 0.00 0.00 0.00 23.12 21.49 2km6 s ALA 51 CO 0.25 0.51 -0.10 0.16 0.00 0.00 0.00 175.76 176.57 2km6 s ASP 52 N -0.66 1.20 1.01 0.00 -4.77 -1.26 -4.63 116.67 107.56 2km6 s ASP 52 Ca 0.12 -0.48 0.00 0.00 -3.30 0.00 0.00 52.55 48.89 2km6 s ASP 52 Cb -0.12 -0.03 0.00 0.00 -1.09 0.00 0.00 42.92 41.68 2km6 s ASP 52 CO 0.02 -0.08 0.00 0.61 0.70 0.00 0.00 175.17 176.42 2km6 n GLY 53 N 1.74 1.28 0.37 2.12 0.00 -1.25 -1.26 105.19 108.21 2km6 n GLY 53 Ca -0.20 0.55 -0.01 0.00 0.00 0.00 0.00 46.02 46.37 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 1.23 -0.29 1.61 3.64 -1.82 -2.06 116.57 118.88 2km6 h LYS 54 Ca 0.00 -0.07 -0.11 0.00 -1.27 0.00 0.00 60.65 59.19 2km6 h LYS 54 Cb 0.00 -0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 31.53 2km6 h LYS 54 CO 0.00 0.81 -0.29 0.87 -2.27 0.00 0.00 179.45 178.58 2km6 h LYS 55 N 1.26 0.60 -0.54 1.90 1.79 -1.55 -2.57 116.57 117.47 2km6 h LYS 55 Ca 0.36 -0.25 -0.09 0.00 -2.18 0.00 0.00 60.65 58.49 2km6 h LYS 55 Cb -0.09 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.52 2km6 h LYS 55 CO -0.09 0.82 -0.03 1.25 -1.08 0.00 0.00 179.45 180.32 2km6 h LEU 56 N 0.52 0.96 -1.33 2.94 5.85 -1.46 -2.48 115.31 120.30 2km6 h LEU 56 Ca 0.07 -0.32 0.04 0.00 0.84 0.00 0.00 57.88 58.51 2km6 h LEU 56 Cb 0.76 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 2km6 h LEU 56 CO 0.06 1.05 0.48 0.00 -0.34 0.00 0.00 178.44 179.69 2km6 h ALA 57 N 0.94 1.60 0.00 1.25 0.00 -1.26 0.06 119.26 121.86 2km6 h ALA 57 Ca 0.15 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 2km6 h ALA 57 Cb 0.58 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2km6 h ALA 57 CO 0.03 0.31 -0.34 1.49 0.00 0.00 0.00 179.25 180.74 2km6 h GLU 58 N 0.86 0.00 0.00 0.00 4.81 -1.06 -1.43 114.58 117.76 2km6 h GLU 58 Ca 0.30 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.30 2km6 h GLU 58 Cb 0.11 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 2km6 h GLU 58 CO -0.09 0.34 -1.29 0.82 -0.73 0.00 0.00 179.01 178.06 2km6 h ILE 59 N 0.00 1.16 -0.65 2.32 2.04 -0.70 -2.98 117.51 118.70 2km6 h ILE 59 Ca -0.00 -2.87 -0.02 0.00 1.00 0.00 0.00 64.86 62.97 2km6 h ILE 59 Cb 0.63 2.55 -0.03 0.00 -0.74 0.00 0.00 36.82 39.23 2km6 h ILE 59 CO 0.04 0.66 0.34 -0.07 0.00 0.00 0.00 178.15 179.13 2km6 h LEU 60 N 0.00 0.82 -0.22 1.44 -0.00 -0.36 -2.34 115.31 114.65 2km6 h LEU 60 Ca -0.14 -0.11 0.00 0.00 -0.00 0.00 0.00 57.88 57.64 2km6 h LEU 60 Cb 1.81 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 42.26 2km6 h LEU 60 CO 0.09 0.70 0.00 1.33 -0.00 0.00 0.00 178.44 180.56 2km6 n VAL 61 N -4.52 0.62 -0.10 1.22 0.24 -0.61 -1.46 118.33 113.73 2km6 n VAL 61 Ca 0.05 -0.02 -0.13 0.00 -2.04 0.00 0.00 64.34 62.20 2km6 n VAL 61 Cb 0.10 -0.80 -0.04 0.00 -1.47 0.00 0.00 33.84 31.63 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 0.84 0.00 -1.34 -1.24 -1.25 -3.41 115.58 109.18 2km6 h ASN 62 Ca 0.00 -0.48 -0.00 0.00 0.71 0.00 0.00 56.30 56.53 2km6 h ASN 62 Cb 0.53 -0.24 -0.00 0.00 0.73 0.00 0.00 38.32 39.34 2km6 h ASN 62 CO 0.00 1.15 -0.61 0.35 -1.29 0.00 0.00 177.43 177.03 2km6 n THR 63 N -4.18 1.39 -2.13 -3.57 -2.24 -1.17 -5.03 114.28 97.35 2km6 n THR 63 Ca -0.04 0.24 -0.40 0.00 -2.27 0.00 0.00 64.05 61.59 2km6 n THR 63 Cb 0.51 -2.04 -0.01 0.00 -2.10 0.00 0.00 70.33 66.69 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 -5.95 6.54 0.25 3.42 0.01 -0.53 -4.84 113.70 112.59 2km6 s SER 64 Ca -0.17 2.60 -0.30 0.00 1.31 0.00 0.00 55.95 59.40 2km6 s SER 64 Cb 0.02 -2.64 -0.09 0.00 0.21 0.00 0.00 66.02 63.52 2km6 s SER 64 CO 0.26 -0.69 1.25 -0.44 0.41 0.00 0.00 173.24 174.03 2km6 s SER 65 N -0.72 6.96 0.27 2.44 0.01 -1.26 -4.57 113.70 116.84 2km6 s SER 65 Ca 0.54 2.43 0.00 0.00 1.31 0.00 0.00 55.95 60.23 2km6 s SER 65 Cb -0.37 -2.62 0.55 0.00 0.21 0.00 0.00 66.02 63.78 2km6 s SER 65 CO 0.48 -0.43 1.81 1.05 0.41 0.00 0.00 173.24 176.56 2km6 h GLU 66 N 4.53 0.84 0.00 12.44 4.11 -1.93 0.12 114.58 134.69 2km6 h GLU 66 Ca -0.46 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 58.92 2km6 h GLU 66 Cb 1.22 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.28 2km6 h GLU 66 CO 0.72 0.56 0.00 -1.71 0.07 0.00 0.00 179.01 178.64 2km6 n ASN 67 N -4.70 0.80 0.04 3.06 5.15 -1.26 -2.28 115.26 116.06 2km6 n ASN 67 Ca 0.18 0.61 -0.22 0.00 -0.60 0.00 0.00 54.58 54.56 2km6 n ASN 67 Cb 0.38 -0.81 -0.14 0.00 -0.53 0.00 0.00 39.78 38.68 2km6 n ASN 67 CO 0.00 0.00 0.00 -0.25 1.40 0.00 0.00 177.26 178.41 2km6 h TRP 68 N 0.00 0.56 -0.95 1.20 7.01 -1.24 -3.37 115.95 119.16 2km6 h TRP 68 Ca 0.00 -0.41 0.00 0.00 2.11 0.00 0.00 58.89 60.60 2km6 h TRP 68 Cb 0.61 -0.02 -0.05 0.00 -2.10 0.00 0.00 29.16 27.60 2km6 h TRP 68 CO 0.00 1.54 0.61 0.82 -2.79 0.00 0.00 178.44 178.63 2km6 h ILE 69 N -0.20 1.25 -0.89 2.65 2.04 -0.58 -1.08 117.51 120.70 2km6 h ILE 69 Ca -0.28 -0.48 0.16 0.00 1.00 0.00 0.00 64.86 65.26 2km6 h ILE 69 Cb 1.84 -0.14 -0.10 0.00 -0.74 0.00 0.00 36.82 37.69 2km6 h ILE 69 CO 0.11 0.25 0.47 0.08 0.00 0.00 0.00 178.15 179.06 2km6 h ARG 70 N 1.30 0.62 0.12 2.37 0.11 -1.61 0.26 114.38 117.55 2km6 h ARG 70 Ca 0.35 -0.04 -0.32 0.00 0.10 0.00 0.00 59.98 60.07 2km6 h ARG 70 Cb -0.12 -0.14 -0.01 0.00 1.11 0.00 0.00 29.97 30.81 2km6 h ARG 70 CO -0.07 0.41 -1.68 -0.97 0.10 0.00 0.00 179.97 177.76 2km6 h ASN 71 N 0.64 0.41 0.01 0.08 -1.24 -1.49 -3.32 115.58 110.66 2km6 h ASN 71 Ca 0.50 -0.64 0.03 0.00 0.71 0.00 0.00 56.30 56.89 2km6 h ASN 71 Cb 0.74 -0.13 -0.04 0.00 0.73 0.00 0.00 38.32 39.62 2km6 h ASN 71 CO -0.38 1.55 -0.24 0.00 -1.29 0.00 0.00 177.43 177.07 2km6 h ALA 72 N 0.39 -0.32 -0.33 1.57 0.00 0.08 -0.13 119.26 120.52 2km6 h ALA 72 Ca -0.30 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 2km6 h ALA 72 Cb 2.04 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 20.22 2km6 h ALA 72 CO 0.15 -0.74 -0.06 0.00 0.00 0.00 0.00 179.25 178.60 2km6 h THR 73 N -0.37 1.21 -0.39 0.00 1.03 -1.17 -2.00 112.91 111.22 2km6 h THR 73 Ca 0.06 -0.90 -0.09 0.00 -0.01 0.00 0.00 66.41 65.47 2km6 h THR 73 Cb 0.45 1.03 -0.01 0.00 -1.07 0.00 0.00 68.15 68.55 2km6 h THR 73 CO -0.21 0.30 -0.10 0.58 -0.01 0.00 0.00 175.52 176.09 2km6 h VAL 74 N 0.50 1.28 -0.68 0.00 2.07 -1.49 -0.28 116.25 117.64 2km6 h VAL 74 Ca 0.10 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.44 2km6 h VAL 74 Cb 0.41 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 2km6 h VAL 74 CO 0.02 0.39 0.44 -1.13 0.02 0.00 0.00 177.57 177.31 2km6 h ASN 75 N 0.56 0.80 -0.59 0.57 -1.24 -0.66 0.27 115.58 115.29 2km6 h ASN 75 Ca 0.10 -0.04 -0.05 0.00 0.71 0.00 0.00 56.30 57.03 2km6 h ASN 75 Cb 0.62 -0.20 -0.03 0.00 0.73 0.00 0.00 38.32 39.44 2km6 h ASN 75 CO 0.04 0.60 0.19 0.40 -1.29 0.00 0.00 177.43 177.37 2km6 h ILE 76 N 0.93 1.24 -0.72 2.57 1.08 -1.08 0.17 117.51 121.70 2km6 h ILE 76 Ca 0.25 -0.81 0.01 0.00 -0.39 0.00 0.00 64.86 63.92 2km6 h ILE 76 Cb -0.08 0.65 -0.04 0.00 -3.07 0.00 0.00 36.82 34.29 2km6 h ILE 76 CO -0.05 0.31 0.48 -0.07 -0.69 0.00 0.00 178.15 178.12 2km6 h LEU 77 N 0.84 0.82 -1.16 1.44 3.38 -0.40 -0.72 115.31 119.52 2km6 h LEU 77 Ca 0.19 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 2km6 h LEU 77 Cb 0.28 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 2km6 h LEU 77 CO -0.01 0.59 0.32 -0.33 0.09 0.00 0.00 178.44 179.10 2km6 h GLU 78 N 0.97 0.91 0.00 1.13 5.08 0.07 -1.38 114.58 121.37 2km6 h GLU 78 Ca 0.27 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 2km6 h GLU 78 Cb -0.10 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 28.98 2km6 h GLU 78 CO -0.06 0.70 -0.08 0.93 -1.00 0.00 0.00 179.01 179.50 2km6 h GLU 79 N 0.91 0.00 -0.01 2.33 4.39 0.27 -2.26 114.58 120.21 2km6 h GLU 79 Ca 0.23 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.93 2km6 h GLU 79 Cb 0.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 2km6 h GLU 79 CO -0.03 0.08 -0.23 -1.33 -1.16 0.00 0.00 179.01 176.34 2km6 n MET 80 N -3.22 1.14 -1.46 2.33 2.81 -0.37 -4.92 117.12 113.43 2km6 n MET 80 Ca 0.00 -0.74 -0.11 0.00 -1.81 0.00 0.00 57.70 55.04 2km6 n MET 80 Cb 0.33 -1.48 -0.04 0.00 -0.71 0.00 0.00 33.22 31.31 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 -0.29 -4.22 -4.74 7.83 5.15 -0.85 -4.99 115.26 113.15 2km6 n ASN 81 Ca 0.13 0.23 -0.41 0.00 -0.60 0.00 0.00 54.58 53.93 2km6 n ASN 81 Cb 0.38 -2.82 -0.05 0.00 -0.53 0.00 0.00 39.78 36.76 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 -2.63 4.53 0.02 1.20 1.43 -0.61 -4.94 118.68 117.67 2km6 s LEU 82 Ca 0.00 1.94 -0.02 0.00 -1.03 0.00 0.00 54.13 55.02 2km6 s LEU 82 Cb 0.00 -3.60 -0.01 0.00 0.03 0.00 0.00 46.19 42.61 2km6 s LEU 82 CO 0.00 -0.07 -0.05 0.35 0.23 0.00 0.00 176.35 176.81 2km6 n THR 83 N 2.29 0.82 -0.09 5.49 -2.24 -1.26 -4.48 114.28 114.82 2km6 n THR 83 Ca 0.01 0.18 -0.07 0.00 -2.27 0.00 0.00 64.05 61.91 2km6 n THR 83 Cb 0.48 -1.64 -0.05 0.00 -2.10 0.00 0.00 70.33 67.02 2km6 n THR 83 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 2km6 h GLU 84 N -0.15 -0.17 0.00 -0.78 9.09 -1.99 0.52 114.58 121.11 2km6 h GLU 84 Ca -0.05 0.01 -0.05 0.00 0.05 0.00 0.00 59.36 59.32 2km6 h GLU 84 Cb 0.56 0.04 -0.01 0.00 -1.65 0.00 0.00 28.75 27.69 2km6 h GLU 84 CO -0.03 -0.11 -0.26 1.37 0.05 0.00 0.00 179.01 180.03 2km6 h LEU 85 N -0.18 0.00 -0.49 3.06 -0.00 -1.99 -2.68 115.31 113.04 2km6 h LEU 85 Ca 0.04 0.00 -0.13 0.00 -0.00 0.00 0.00 57.88 57.79 2km6 h LEU 85 Cb 0.29 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.93 2km6 h LEU 85 CO -0.32 0.26 -0.19 0.00 -0.00 0.00 0.00 178.44 178.19 2km6 h LYS 87 N 0.86 0.00 -0.36 0.00 1.57 0.04 0.12 116.57 118.80 2km6 h LYS 87 Ca 0.12 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.77 2km6 h LYS 87 Cb 0.77 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 2km6 h LYS 87 CO 0.06 0.19 -0.28 1.98 -0.57 0.00 0.00 179.45 180.83 2km6 h MET 88 N 0.00 0.76 -0.17 3.15 4.05 -1.01 -1.56 114.93 120.15 2km6 h MET 88 Ca -0.00 -0.34 -0.17 0.00 -0.28 0.00 0.00 59.70 58.92 2km6 h MET 88 Cb 0.79 -0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 31.56 2km6 h MET 88 CO 0.02 0.95 -0.59 0.00 0.23 0.00 0.00 176.91 177.53 2km6 h ALA 89 N 1.03 0.66 0.00 0.39 0.00 -0.18 -2.63 119.26 118.53 2km6 h ALA 89 Ca 0.08 -0.53 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 2km6 h ALA 89 Cb 0.80 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 2km6 h ALA 89 CO 0.07 0.70 -0.02 0.87 0.00 0.00 0.00 179.25 180.87 2km6 h LYS 90 N 0.42 0.00 0.00 0.00 1.79 -0.43 0.29 116.57 118.64 2km6 h LYS 90 Ca -0.00 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.31 2km6 h LYS 90 Cb 1.14 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.76 2km6 h LYS 90 CO 0.11 0.02 -1.23 0.00 -1.08 0.00 0.00 179.45 177.27 2km6 h ALA 91 N 1.98 0.65 0.00 3.86 0.00 -0.98 -3.38 119.26 121.39 2km6 h ALA 91 Ca -0.00 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.10 2km6 h ALA 91 Cb 0.04 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2km6 h ALA 91 CO 0.00 0.91 -0.10 0.39 0.00 0.00 0.00 179.25 180.45 2km6 n GLU 92 N -2.99 0.05 -0.00 0.00 -0.58 -0.75 -4.82 120.64 111.55 2km6 n GLU 92 Ca -0.07 0.02 -0.17 0.00 -0.42 0.00 0.00 57.16 56.52 2km6 n GLU 92 Cb 0.84 -0.37 -0.11 0.00 -0.57 0.00 0.00 31.44 31.22 2km6 n GLU 92 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 2km6 h MET 93 N -0.10 0.32 0.00 3.49 2.86 -1.04 -3.50 114.93 116.96 2km6 h MET 93 Ca 0.00 -0.35 0.18 0.00 -2.06 0.00 0.00 59.70 57.46 2km6 h MET 93 Cb 0.10 0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.82 2km6 h MET 93 CO 0.00 1.05 -0.23 -1.33 1.06 0.00 0.00 176.91 177.46 2km6 n MET 94 N -4.31 -1.30 -0.99 1.72 2.81 0.73 -4.81 117.12 110.97 2km6 n MET 94 Ca -0.10 0.86 -0.14 0.00 -1.81 0.00 0.00 57.70 56.50 2km6 n MET 94 Cb 0.62 -1.59 0.10 0.00 -0.71 0.00 0.00 33.22 31.64 2km6 n MET 94 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2km6 n GLU 95 N -2.73 -0.57 0.40 0.03 4.71 -1.26 -3.39 120.64 117.83 2km6 n GLU 95 Ca 0.00 -1.04 -0.16 0.00 -0.01 0.00 0.00 57.16 55.96 2km6 n GLU 95 Cb 0.29 -0.65 -0.07 0.00 -1.01 0.00 0.00 31.44 30.00 2km6 n GLU 95 CO 0.00 0.00 0.00 0.22 0.09 0.00 0.00 177.13 177.44 2km6 h ASP 96 N -0.82 -0.87 0.00 1.62 1.82 -1.90 -3.46 116.42 112.82 2km6 h ASP 96 Ca -0.21 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.46 2km6 h ASP 96 Cb 0.58 0.22 0.00 0.00 0.68 0.00 0.00 39.33 40.82 2km6 h ASP 96 CO 0.15 -0.54 0.00 0.61 -1.61 0.00 0.00 179.24 177.85 2km6 n GLY 97 N -1.00 0.05 0.57 -0.78 0.00 -1.26 -5.14 105.19 97.62 2km6 n GLY 97 Ca -0.13 -0.26 0.14 0.00 0.00 0.00 0.00 46.02 45.76 2km6 n GLY 97 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26