#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 5.15 0.13 1.12 -4.23 -1.26 -5.02 115.64 111.53 2km6 s THR 4 Ca 0.00 0.08 -0.17 0.00 -1.18 0.00 0.00 61.69 60.42 2km6 s THR 4 Cb 0.00 -3.26 -0.02 0.00 1.34 0.00 0.00 72.50 70.56 2km6 s THR 4 CO 0.00 0.56 1.75 -1.28 -0.54 0.00 0.00 174.62 175.11 2km6 h SER 5 N 5.55 0.42 -0.48 3.99 0.87 -2.05 -0.24 113.55 121.62 2km6 h SER 5 Ca -0.49 -0.08 0.07 0.00 -1.23 0.00 0.00 61.79 60.06 2km6 h SER 5 Cb 1.20 -0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 63.00 2km6 h SER 5 CO 0.62 0.38 0.16 1.55 -0.53 0.00 0.00 176.83 179.01 2km6 h PRO 6 N 0.43 0.32 -0.15 2.24 0.13 -1.99 0.66 132.00 133.65 2km6 h PRO 6 Ca 0.12 -0.02 -0.16 0.00 -0.87 0.00 0.00 66.00 65.07 2km6 h PRO 6 Cb 0.04 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.09 2km6 h PRO 6 CO -0.02 0.21 -0.58 1.96 -0.23 0.00 0.00 178.00 179.34 2km6 h GLN 7 N 0.33 0.49 0.59 0.86 7.50 -1.96 0.81 115.11 123.73 2km6 h GLN 7 Ca 0.23 -0.32 -0.02 0.00 0.50 0.00 0.00 58.65 59.04 2km6 h GLN 7 Cb 0.25 0.04 -0.02 0.00 0.05 0.00 0.00 27.48 27.81 2km6 h GLN 7 CO -0.25 0.93 -0.48 1.25 -1.50 0.00 0.00 178.83 178.78 2km6 h LEU 8 N 0.37 -1.28 -1.18 1.46 5.85 -0.64 0.14 115.31 120.03 2km6 h LEU 8 Ca 0.00 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 2km6 h LEU 8 Cb 1.11 0.41 -0.03 0.00 0.37 0.00 0.00 40.66 42.52 2km6 h LEU 8 CO 0.10 -0.68 0.22 -0.08 -0.34 0.00 0.00 178.44 177.67 2km6 h GLU 9 N -1.05 0.79 0.14 1.25 4.81 -0.79 -0.67 114.58 119.06 2km6 h GLU 9 Ca -0.07 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.03 2km6 h GLU 9 Cb 0.88 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.12 2km6 h GLU 9 CO -0.00 0.65 -0.07 2.35 -0.73 0.00 0.00 179.01 181.21 2km6 h TRP 10 N 0.78 -0.18 -0.86 0.92 7.01 -0.69 0.35 115.95 123.29 2km6 h TRP 10 Ca 0.19 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.18 2km6 h TRP 10 Cb 0.15 0.06 -0.04 0.00 -2.10 0.00 0.00 29.16 27.23 2km6 h TRP 10 CO 0.01 -0.11 0.52 1.15 -2.79 0.00 0.00 178.44 177.22 2km6 h THR 11 N -0.19 1.24 0.23 2.65 2.02 0.51 0.37 112.91 119.73 2km6 h THR 11 Ca -0.02 -0.53 -0.01 0.00 0.77 0.00 0.00 66.41 66.63 2km6 h THR 11 Cb 0.15 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.58 2km6 h THR 11 CO 0.03 0.25 -0.11 -0.07 0.37 0.00 0.00 175.52 175.99 2km6 h LEU 12 N 1.19 -0.26 -1.05 2.58 3.38 -0.99 -2.96 115.31 117.21 2km6 h LEU 12 Ca 0.31 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 58.15 2km6 h LEU 12 Cb -0.05 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 2km6 h LEU 12 CO -0.06 0.02 0.64 0.06 0.09 0.00 0.00 178.44 179.19 2km6 h GLN 13 N -0.54 1.23 -0.98 1.13 3.07 -0.44 -1.19 115.11 117.40 2km6 h GLN 13 Ca -0.03 -0.07 0.05 0.00 0.09 0.00 0.00 58.65 58.68 2km6 h GLN 13 Cb 0.40 -0.28 -0.06 0.00 0.08 0.00 0.00 27.48 27.62 2km6 h GLN 13 CO 0.05 0.81 0.64 1.15 0.09 0.00 0.00 178.83 181.57 2km6 h THR 14 N 1.27 1.14 -0.03 1.86 2.02 -0.89 0.52 112.91 118.81 2km6 h THR 14 Ca 0.37 -0.41 -0.03 0.00 0.77 0.00 0.00 66.41 67.11 2km6 h THR 14 Cb -0.06 -0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.19 2km6 h THR 14 CO -0.10 0.22 -0.11 -0.07 0.37 0.00 0.00 175.52 175.82 2km6 h LEU 15 N 1.20 0.14 -0.83 2.58 3.38 -1.20 -3.14 115.31 117.44 2km6 h LEU 15 Ca 0.40 -0.66 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2km6 h LEU 15 Cb 0.06 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2km6 h LEU 15 CO -0.13 0.78 0.00 -0.07 0.09 0.00 0.00 178.44 179.10 2km6 h LEU 16 N -0.48 0.00 0.00 1.67 4.07 -0.67 0.13 115.31 120.02 2km6 h LEU 16 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 2km6 h LEU 16 Cb 0.77 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.51 2km6 h LEU 16 CO 0.02 0.00 -0.32 -0.62 -1.08 0.00 0.00 178.44 176.44 2km6 n GLU 17 N -2.45 0.13 -0.10 1.13 1.02 0.18 -3.64 120.64 116.91 2km6 n GLU 17 Ca 0.02 0.06 -0.22 0.00 -0.02 0.00 0.00 57.16 57.00 2km6 n GLU 17 Cb 0.26 -1.61 -0.12 0.00 -0.02 0.00 0.00 31.44 29.95 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 -1.82 0.65 -3.51 3.49 6.02 -0.18 -4.80 117.38 117.22 2km6 n GLN 18 Ca 0.05 0.26 -0.41 0.00 -0.01 0.00 0.00 57.00 56.89 2km6 n GLN 18 Cb 0.38 -1.58 -0.10 0.00 1.02 0.00 0.00 30.24 29.96 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 4.68 0.34 1.08 0.05 0.26 -4.81 118.68 113.21 2km6 s LEU 19 Ca -0.33 -0.57 0.00 0.00 0.05 0.00 0.00 54.13 53.29 2km6 s LEU 19 Cb 0.10 -2.14 0.00 0.00 -2.05 0.00 0.00 46.19 42.10 2km6 s LEU 19 CO 0.60 -0.30 0.00 -0.46 -0.55 0.00 0.00 176.35 175.65 2km6 n ASN 20 N 5.12 -3.08 0.00 1.48 0.23 -1.26 -4.46 115.26 113.29 2km6 n ASN 20 Ca -0.12 0.68 0.00 0.00 -0.53 0.00 0.00 54.58 54.61 2km6 n ASN 20 Cb 0.49 2.99 0.00 0.00 -2.08 0.00 0.00 39.78 41.17 2km6 n ASN 20 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2km6 n GLU 21 N -3.20 0.00 -0.00 -3.83 -0.58 -1.26 -0.52 120.64 111.24 2km6 n GLU 21 Ca 0.00 0.29 0.00 0.00 -0.42 0.00 0.00 57.16 57.03 2km6 n GLU 21 Cb 0.00 -0.46 0.00 0.00 -0.57 0.00 0.00 31.44 30.41 2km6 n GLU 21 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2km6 n ASP 22 N -1.68 1.40 0.08 1.62 9.92 -1.26 -4.69 116.55 121.94 2km6 n ASP 22 Ca 0.00 -1.39 -0.20 0.00 -0.53 0.00 0.00 54.79 52.67 2km6 n ASP 22 Cb 0.00 -0.00 -0.11 0.00 -0.64 0.00 0.00 41.12 40.37 2km6 n ASP 22 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2km6 h GLU 23 N 0.02 0.59 0.00 -1.24 4.39 -1.62 -3.20 114.58 113.53 2km6 h GLU 23 Ca 0.00 -0.73 -0.10 0.00 0.34 0.00 0.00 59.36 58.87 2km6 h GLU 23 Cb 0.20 0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 2km6 h GLU 23 CO 0.00 1.32 -0.46 1.25 -1.16 0.00 0.00 179.01 179.96 2km6 h LEU 24 N 0.28 0.00 -1.31 1.33 5.85 -1.05 -2.18 115.31 118.24 2km6 h LEU 24 Ca -0.16 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.54 2km6 h LEU 24 Cb 1.82 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.83 2km6 h LEU 24 CO 0.22 0.46 0.16 0.11 -0.34 0.00 0.00 178.44 179.05 2km6 h LYS 25 N 0.00 0.63 0.07 1.25 1.57 -1.74 0.21 116.57 118.55 2km6 h LYS 25 Ca -0.00 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2km6 h LYS 25 Cb 0.84 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.04 2km6 h LYS 25 CO 0.06 0.54 -0.03 0.77 -0.57 0.00 0.00 179.45 180.21 2km6 h SER 26 N 0.62 -0.08 -0.68 0.86 0.02 -1.51 -3.19 113.55 109.60 2km6 h SER 26 Ca 0.15 -0.52 0.13 0.00 -0.84 0.00 0.00 61.79 60.71 2km6 h SER 26 Cb 0.16 0.02 -0.09 0.00 0.14 0.00 0.00 62.40 62.62 2km6 h SER 26 CO -0.01 0.52 0.20 0.15 -1.14 0.00 0.00 176.83 176.55 2km6 h PHE 27 N -0.72 0.33 -0.27 3.45 3.04 -0.85 0.37 116.94 122.29 2km6 h PHE 27 Ca -0.01 0.04 0.01 0.00 3.98 0.00 0.00 57.97 61.99 2km6 h PHE 27 Cb 0.59 -0.04 -0.02 0.00 2.56 0.00 0.00 35.95 39.04 2km6 h PHE 27 CO 0.12 -0.00 0.16 0.87 -2.02 0.00 0.00 178.31 177.44 2km6 h LYS 28 N 0.33 0.32 -0.00 1.11 1.57 -0.72 -1.57 116.57 117.62 2km6 h LYS 28 Ca 0.37 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 59.13 2km6 h LYS 28 Cb 0.56 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 2km6 h LYS 28 CO -0.42 0.21 0.00 0.77 -0.57 0.00 0.00 179.45 179.45 2km6 h SER 29 N 0.33 0.00 -0.80 0.86 0.02 -1.30 -2.24 113.55 110.43 2km6 h SER 29 Ca 0.10 -0.13 0.05 0.00 -0.84 0.00 0.00 61.79 60.97 2km6 h SER 29 Cb -0.02 -0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.47 2km6 h SER 29 CO -0.04 0.13 0.52 -0.07 -1.14 0.00 0.00 176.83 176.24 2km6 h LEU 30 N -0.13 0.79 -0.02 5.07 3.38 -0.83 0.10 115.31 123.68 2km6 h LEU 30 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2km6 h LEU 30 Cb 0.13 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2km6 h LEU 30 CO -0.00 0.52 -0.04 0.00 0.09 0.00 0.00 178.44 179.01 2km6 n LEU 31 N -4.47 0.06 -0.62 1.67 -0.00 -0.60 -1.91 117.00 111.14 2km6 n LEU 31 Ca 0.11 0.37 0.11 0.00 -0.00 0.00 0.00 56.01 56.60 2km6 n LEU 31 Cb 0.18 -0.40 0.03 0.00 -0.00 0.00 0.00 43.42 43.24 2km6 n LEU 31 CO 0.34 0.01 0.40 1.87 -0.00 0.00 0.00 177.39 180.01 2km6 n TRP 32 N -1.40 0.00 0.07 1.47 -0.00 0.18 -4.22 117.44 113.54 2km6 n TRP 32 Ca 0.10 0.00 0.07 0.00 -0.00 0.00 0.00 57.50 57.66 2km6 n TRP 32 Cb 0.31 -0.00 -0.04 0.00 -0.00 0.00 0.00 31.31 31.57 2km6 n TRP 32 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2km6 n ALA 33 N 0.35 2.30 -2.35 5.87 0.00 -0.22 -4.85 120.51 121.61 2km6 n ALA 33 Ca 0.11 -0.38 -0.30 0.00 0.00 0.00 0.00 53.44 52.87 2km6 n ALA 33 Cb 0.50 -1.02 -0.04 0.00 0.00 0.00 0.00 19.45 18.90 2km6 n ALA 33 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2km6 s PHE 34 N -3.20 3.46 -0.29 0.00 -0.12 -1.22 -5.00 117.98 111.63 2km6 s PHE 34 Ca -0.02 0.86 -0.28 0.00 -0.05 0.00 0.00 56.93 57.44 2km6 s PHE 34 Cb 0.09 -2.28 -0.03 0.00 -0.63 0.00 0.00 43.02 40.18 2km6 s PHE 34 CO 0.81 0.06 1.84 -1.25 -0.05 0.00 0.00 175.22 176.63 2km6 s PRO 35 N -3.57 3.39 0.37 1.99 0.04 -1.26 -4.94 135.00 131.02 2km6 s PRO 35 Ca 0.48 1.59 -0.27 0.00 0.04 0.00 0.00 61.00 62.84 2km6 s PRO 35 Cb -0.11 -4.20 -0.09 0.00 0.04 0.00 0.00 34.50 30.14 2km6 s PRO 35 CO 0.29 -1.79 1.28 -0.51 0.04 0.00 0.00 177.00 176.31 2km6 s LEU 36 N 6.79 4.32 0.82 -3.56 1.43 -1.26 -5.02 118.68 122.20 2km6 s LEU 36 Ca 0.82 2.61 -0.08 0.00 -1.03 0.00 0.00 54.13 56.45 2km6 s LEU 36 Cb -0.25 -3.80 0.15 0.00 0.03 0.00 0.00 46.19 42.32 2km6 s LEU 36 CO 0.34 -0.66 1.14 -1.61 0.23 0.00 0.00 176.35 175.78 2km6 s GLU 37 N -2.02 1.29 0.15 1.70 2.02 -1.26 -4.74 118.70 115.83 2km6 s GLU 37 Ca 0.53 -0.72 -0.22 0.00 0.02 0.00 0.00 54.97 54.58 2km6 s GLU 37 Cb -0.38 -2.11 0.04 0.00 0.10 0.00 0.00 34.13 31.79 2km6 s GLU 37 CO 0.49 -1.84 1.63 0.22 0.02 0.00 0.00 175.26 175.78 2km6 h ASP 38 N -1.01 -0.76 0.93 -0.19 3.58 -2.00 0.41 116.42 117.38 2km6 h ASP 38 Ca -0.41 0.14 -0.14 0.00 0.42 0.00 0.00 57.03 57.05 2km6 h ASP 38 Cb 1.26 0.37 -0.02 0.00 1.72 0.00 0.00 39.33 42.66 2km6 h ASP 38 CO 0.41 -0.27 -0.67 1.62 -2.88 0.00 0.00 179.24 177.46 2km6 h VAL 39 N -0.22 1.32 0.00 2.25 3.04 -1.94 -3.12 116.25 117.58 2km6 h VAL 39 Ca 0.15 -2.42 -0.06 0.00 -1.01 0.00 0.00 66.70 63.36 2km6 h VAL 39 Cb 0.45 2.37 -0.01 0.00 -2.01 0.00 0.00 31.29 32.09 2km6 h VAL 39 CO -0.41 0.65 -0.28 -0.07 -1.01 0.00 0.00 177.57 176.46 2km6 h LEU 40 N 0.00 0.00 -0.11 3.16 -0.00 -1.44 -1.56 115.31 115.36 2km6 h LEU 40 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 2km6 h LEU 40 Cb 1.32 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.98 2km6 h LEU 40 CO 0.09 0.28 0.00 1.67 -0.00 0.00 0.00 178.44 180.47 2km6 n GLN 41 N -3.76 0.07 0.13 1.13 7.27 -0.01 -2.16 117.38 120.06 2km6 n GLN 41 Ca -0.01 0.19 0.02 0.00 0.07 0.00 0.00 57.00 57.27 2km6 n GLN 41 Cb 0.38 -1.60 0.02 0.00 2.41 0.00 0.00 30.24 31.45 2km6 n GLN 41 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 2km6 h LYS 42 N 0.00 0.00 -6.01 3.69 3.64 -1.40 -3.46 116.57 113.02 2km6 h LYS 42 Ca 0.00 0.00 -0.73 0.00 -1.27 0.00 0.00 60.65 58.65 2km6 h LYS 42 Cb 0.42 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 2km6 h LYS 42 CO 0.00 0.48 1.29 2.41 -2.27 0.00 0.00 179.45 181.36 2km6 n THR 43 N -3.20 0.12 -2.04 1.00 -1.04 -0.92 -4.80 114.28 103.39 2km6 n THR 43 Ca 0.01 -0.12 -0.38 0.00 -2.04 0.00 0.00 64.05 61.53 2km6 n THR 43 Cb 0.74 -1.07 -0.03 0.00 -1.82 0.00 0.00 70.33 68.14 2km6 n THR 43 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2km6 s PRO 44 N 5.68 2.63 0.34 -2.82 0.04 -1.26 -4.83 135.00 134.78 2km6 s PRO 44 Ca 1.12 0.56 0.04 0.00 0.04 0.00 0.00 61.00 62.77 2km6 s PRO 44 Cb -1.18 -4.41 0.61 0.00 0.04 0.00 0.00 34.50 29.56 2km6 s PRO 44 CO 0.59 -2.76 1.90 2.35 0.04 0.00 0.00 177.00 179.13 2km6 h TRP 45 N 14.79 0.59 -0.34 0.56 2.91 -1.97 -0.02 115.95 132.46 2km6 h TRP 45 Ca -0.25 -0.04 0.08 0.00 1.13 0.00 0.00 58.89 59.81 2km6 h TRP 45 Cb 1.16 -0.18 -0.02 0.00 -0.51 0.00 0.00 29.16 29.61 2km6 h TRP 45 CO 1.05 0.53 0.24 0.77 -1.03 0.00 0.00 178.44 180.00 2km6 h SER 46 N 0.56 0.10 0.15 2.65 0.02 -2.00 0.32 113.55 115.36 2km6 h SER 46 Ca 0.13 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.82 2km6 h SER 46 Cb 0.25 -0.02 0.01 0.00 0.14 0.00 0.00 62.40 62.79 2km6 h SER 46 CO 0.00 0.06 -1.23 -0.33 -1.14 0.00 0.00 176.83 174.20 2km6 h GLU 47 N 0.11 0.32 -0.01 3.45 4.39 -1.63 -3.33 114.58 117.89 2km6 h GLU 47 Ca 0.16 -0.55 -0.01 0.00 0.34 0.00 0.00 59.36 59.29 2km6 h GLU 47 Cb 0.48 0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 29.34 2km6 h GLU 47 CO -0.02 1.26 -0.06 -0.39 -1.16 0.00 0.00 179.01 178.65 2km6 h VAL 48 N -0.23 1.05 0.04 3.13 -1.51 0.17 -2.10 116.25 116.80 2km6 h VAL 48 Ca -0.24 -0.22 0.01 0.00 -1.23 0.00 0.00 66.70 65.03 2km6 h VAL 48 Cb 1.81 1.11 -0.02 0.00 -2.13 0.00 0.00 31.29 32.05 2km6 h VAL 48 CO 0.14 0.06 -0.11 -0.33 -1.23 0.00 0.00 177.57 176.10 2km6 h GLU 49 N 0.01 -0.20 -0.64 5.19 5.08 -0.53 -2.84 114.58 120.64 2km6 h GLU 49 Ca 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2km6 h GLU 49 Cb 0.11 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2km6 h GLU 49 CO 0.01 -0.14 0.00 0.39 -1.00 0.00 0.00 179.01 178.27 2km6 n GLU 50 N -5.24 3.82 -4.56 2.33 1.02 -0.96 -4.85 120.64 112.21 2km6 n GLU 50 Ca -0.06 -2.70 -0.34 0.00 -0.02 0.00 0.00 57.16 54.04 2km6 n GLU 50 Cb 0.16 -1.95 -0.11 0.00 -0.02 0.00 0.00 31.44 29.51 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 -2.05 3.01 0.08 0.62 0.00 -0.83 -5.08 121.76 117.51 2km6 s ALA 51 Ca 0.48 -0.86 0.05 0.00 0.00 0.00 0.00 51.96 51.63 2km6 s ALA 51 Cb 0.32 -1.33 -0.03 0.00 0.00 0.00 0.00 23.12 22.09 2km6 s ALA 51 CO 0.20 0.49 -0.15 0.16 0.00 0.00 0.00 175.76 176.46 2km6 s ASP 52 N -0.52 1.74 1.16 0.00 1.47 -1.26 -4.60 116.67 114.66 2km6 s ASP 52 Ca 0.08 -0.63 0.00 0.00 1.18 0.00 0.00 52.55 53.18 2km6 s ASP 52 Cb -0.12 -0.06 0.00 0.00 -0.34 0.00 0.00 42.92 42.41 2km6 s ASP 52 CO 0.02 -0.07 0.00 0.61 0.68 0.00 0.00 175.17 176.41 2km6 n GLY 53 N 1.23 1.39 0.34 2.12 0.00 -1.24 -1.03 105.19 108.00 2km6 n GLY 53 Ca -0.21 0.51 -0.02 0.00 0.00 0.00 0.00 46.02 46.30 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 1.06 -0.68 1.61 3.64 -1.81 -1.58 116.57 118.81 2km6 h LYS 54 Ca 0.00 -0.13 -0.06 0.00 -1.27 0.00 0.00 60.65 59.20 2km6 h LYS 54 Cb 0.00 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.59 2km6 h LYS 54 CO 0.00 0.79 0.21 0.87 -2.27 0.00 0.00 179.45 179.05 2km6 h LYS 55 N 1.06 1.05 -0.52 1.90 1.79 -1.45 0.41 116.57 120.81 2km6 h LYS 55 Ca 0.26 -0.22 -0.10 0.00 -2.18 0.00 0.00 60.65 58.41 2km6 h LYS 55 Cb 0.06 -0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 30.54 2km6 h LYS 55 CO -0.04 0.90 -0.08 1.25 -1.08 0.00 0.00 179.45 180.40 2km6 h LEU 56 N 1.01 0.98 -1.30 2.94 5.85 -1.41 -2.05 115.31 121.32 2km6 h LEU 56 Ca 0.22 -0.34 0.03 0.00 0.84 0.00 0.00 57.88 58.62 2km6 h LEU 56 Cb 0.29 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 2km6 h LEU 56 CO -0.01 1.09 0.49 0.00 -0.34 0.00 0.00 178.44 179.67 2km6 h ALA 57 N 0.92 1.54 0.00 1.25 0.00 -0.64 0.10 119.26 122.43 2km6 h ALA 57 Ca 0.14 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 2km6 h ALA 57 Cb 0.64 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2km6 h ALA 57 CO 0.04 0.39 -0.27 1.49 0.00 0.00 0.00 179.25 180.91 2km6 h GLU 58 N 0.93 0.00 0.13 0.00 4.81 -0.44 -0.39 114.58 119.62 2km6 h GLU 58 Ca 0.29 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 59.21 2km6 h GLU 58 Cb 0.01 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 2km6 h GLU 58 CO -0.08 0.27 -1.54 0.82 -0.73 0.00 0.00 179.01 177.74 2km6 h ILE 59 N 0.00 1.14 -0.59 2.32 2.04 -0.44 -3.15 117.51 118.84 2km6 h ILE 59 Ca -0.00 -2.77 -0.01 0.00 1.00 0.00 0.00 64.86 63.07 2km6 h ILE 59 Cb 0.59 2.77 -0.03 0.00 -0.74 0.00 0.00 36.82 39.41 2km6 h ILE 59 CO 0.03 0.82 0.32 -0.07 0.00 0.00 0.00 178.15 179.25 2km6 h LEU 60 N 0.07 0.75 -0.43 1.44 -0.00 -0.26 -2.31 115.31 114.57 2km6 h LEU 60 Ca -0.25 -0.10 0.00 0.00 -0.00 0.00 0.00 57.88 57.53 2km6 h LEU 60 Cb 2.03 -0.19 0.00 0.00 -0.00 0.00 0.00 40.66 42.50 2km6 h LEU 60 CO 0.17 0.63 0.00 0.55 -0.00 0.00 0.00 178.44 179.79 2km6 n VAL 61 N -4.57 0.76 -0.10 1.22 3.14 -0.21 -0.75 118.33 117.82 2km6 n VAL 61 Ca 0.04 0.10 -0.14 0.00 -2.96 0.00 0.00 64.34 61.38 2km6 n VAL 61 Cb 0.09 -0.98 -0.03 0.00 -1.06 0.00 0.00 33.84 31.86 2km6 n VAL 61 CO 0.00 0.00 0.00 -1.13 -6.46 0.00 0.00 176.83 169.24 2km6 h ASN 62 N 0.00 0.95 0.00 6.55 -0.73 -1.36 -3.37 115.58 117.61 2km6 h ASN 62 Ca 0.00 -0.49 -0.25 0.00 1.87 0.00 0.00 56.30 57.43 2km6 h ASN 62 Cb 0.44 -0.27 -0.05 0.00 0.27 0.00 0.00 38.32 38.72 2km6 h ASN 62 CO 0.00 1.25 -1.93 0.35 -0.37 0.00 0.00 177.43 176.73 2km6 n THR 63 N -4.09 0.93 -4.03 -3.57 -2.24 -1.08 -5.02 114.28 95.19 2km6 n THR 63 Ca -0.03 -0.45 -0.31 0.00 -2.27 0.00 0.00 64.05 60.98 2km6 n THR 63 Cb 0.56 -0.89 -0.06 0.00 -2.10 0.00 0.00 70.33 67.83 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 -5.17 5.76 0.49 3.42 0.01 0.07 -4.71 113.70 113.58 2km6 s SER 64 Ca -0.15 0.09 -0.18 0.00 1.31 0.00 0.00 55.95 57.02 2km6 s SER 64 Cb 0.05 -1.63 -0.09 0.00 0.21 0.00 0.00 66.02 64.56 2km6 s SER 64 CO 0.45 0.20 0.97 -0.55 0.41 0.00 0.00 173.24 174.72 2km6 s SER 65 N -2.27 6.72 0.27 2.44 0.15 -1.26 -4.46 113.70 115.29 2km6 s SER 65 Ca 0.29 1.60 0.00 0.00 0.70 0.00 0.00 55.95 58.54 2km6 s SER 65 Cb -0.12 -2.51 0.56 0.00 -1.71 0.00 0.00 66.02 62.24 2km6 s SER 65 CO 0.22 -0.52 1.79 1.05 1.20 0.00 0.00 173.24 176.98 2km6 h GLU 66 N 1.22 0.73 0.00 5.44 4.11 -1.96 0.86 114.58 124.98 2km6 h GLU 66 Ca -0.47 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 58.91 2km6 h GLU 66 Cb 1.18 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.27 2km6 h GLU 66 CO 0.61 0.49 0.00 -0.97 0.07 0.00 0.00 179.01 179.21 2km6 h ASN 67 N 0.76 0.00 0.00 3.06 -1.24 -1.97 -1.52 115.58 114.67 2km6 h ASN 67 Ca 0.49 0.00 -0.23 0.00 0.71 0.00 0.00 56.30 57.27 2km6 h ASN 67 Cb 0.63 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.65 2km6 h ASN 67 CO -0.33 0.00 -1.29 1.87 -1.29 0.00 0.00 177.43 176.39 2km6 n TRP 68 N -2.45 0.94 -0.11 0.67 -0.00 -0.08 -4.26 117.44 112.16 2km6 n TRP 68 Ca 0.02 0.41 0.01 0.00 -0.00 0.00 0.00 57.50 57.95 2km6 n TRP 68 Cb 0.29 -1.07 0.31 0.00 -0.00 0.00 0.00 31.31 30.84 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 -1.00 1.16 -0.41 5.87 2.04 -0.69 -1.35 117.51 123.14 2km6 h ILE 69 Ca -0.35 -0.38 0.01 0.00 1.00 0.00 0.00 64.86 65.14 2km6 h ILE 69 Cb 1.27 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 2km6 h ILE 69 CO -0.21 0.17 0.27 0.08 0.00 0.00 0.00 178.15 178.47 2km6 h ARG 70 N 0.78 0.52 0.02 2.37 0.11 -1.48 0.26 114.38 116.97 2km6 h ARG 70 Ca 0.20 -0.03 -0.09 0.00 0.10 0.00 0.00 59.98 60.16 2km6 h ARG 70 Cb -0.01 -0.12 0.01 0.00 1.11 0.00 0.00 29.97 30.96 2km6 h ARG 70 CO -0.04 0.35 -0.37 -0.97 0.10 0.00 0.00 179.97 179.04 2km6 h ASN 71 N 0.54 0.28 0.36 0.08 -1.24 -1.47 -3.29 115.58 110.84 2km6 h ASN 71 Ca 0.15 -0.84 -0.00 0.00 0.71 0.00 0.00 56.30 56.32 2km6 h ASN 71 Cb -0.04 -0.09 -0.03 0.00 0.73 0.00 0.00 38.32 38.89 2km6 h ASN 71 CO -0.03 1.09 -0.40 0.00 -1.29 0.00 0.00 177.43 176.80 2km6 h ALA 72 N 0.20 -0.85 -0.32 1.57 0.00 -0.40 -0.78 119.26 118.67 2km6 h ALA 72 Ca -0.05 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 2km6 h ALA 72 Cb 1.17 0.59 -0.02 0.00 0.00 0.00 0.00 17.79 19.53 2km6 h ALA 72 CO 0.07 -1.02 0.09 0.00 0.00 0.00 0.00 179.25 178.39 2km6 h THR 73 N -0.79 1.15 0.05 0.00 1.03 -0.69 0.15 112.91 113.80 2km6 h THR 73 Ca -0.03 -0.51 -0.00 0.00 -0.01 0.00 0.00 66.41 65.86 2km6 h THR 73 Cb 0.72 0.81 0.00 0.00 -1.07 0.00 0.00 68.15 68.61 2km6 h THR 73 CO -0.09 0.19 -0.02 0.58 -0.01 0.00 0.00 175.52 176.16 2km6 h VAL 74 N 0.46 1.25 -0.78 0.00 2.07 -1.57 -1.89 116.25 115.79 2km6 h VAL 74 Ca 0.11 -1.02 0.08 0.00 0.82 0.00 0.00 66.70 66.69 2km6 h VAL 74 Cb 0.16 1.93 -0.07 0.00 -1.52 0.00 0.00 31.29 31.79 2km6 h VAL 74 CO -0.01 0.26 0.44 -1.13 0.02 0.00 0.00 177.57 177.15 2km6 h ASN 75 N -0.52 0.63 -0.56 0.57 -0.00 -0.46 0.32 115.58 115.56 2km6 h ASN 75 Ca -0.01 0.04 -0.05 0.00 -0.00 0.00 0.00 56.30 56.29 2km6 h ASN 75 Cb 0.47 -0.08 -0.02 0.00 -0.00 0.00 0.00 38.32 38.68 2km6 h ASN 75 CO 0.01 0.38 0.16 0.40 -0.00 0.00 0.00 177.43 178.37 2km6 h ILE 76 N 0.76 1.24 -0.13 2.57 1.08 -0.71 -1.12 117.51 121.20 2km6 h ILE 76 Ca 0.37 -0.84 -0.13 0.00 -0.39 0.00 0.00 64.86 63.87 2km6 h ILE 76 Cb 0.31 0.72 -0.01 0.00 -3.07 0.00 0.00 36.82 34.77 2km6 h ILE 76 CO -0.23 0.31 -0.48 -0.07 -0.69 0.00 0.00 178.15 176.99 2km6 h LEU 77 N 0.79 0.35 -1.29 1.44 3.38 -0.34 -1.60 115.31 118.03 2km6 h LEU 77 Ca 0.18 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2km6 h LEU 77 Cb 0.31 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 2km6 h LEU 77 CO -0.00 0.78 0.40 -0.33 0.09 0.00 0.00 178.44 179.38 2km6 h GLU 78 N 0.26 0.88 0.00 1.13 4.39 -0.15 0.20 114.58 121.29 2km6 h GLU 78 Ca 0.01 -0.07 -0.11 0.00 0.34 0.00 0.00 59.36 59.53 2km6 h GLU 78 Cb 0.95 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 29.39 2km6 h GLU 78 CO 0.08 0.61 -0.53 1.49 -1.16 0.00 0.00 179.01 179.50 2km6 h GLU 79 N 0.90 0.00 -0.00 2.33 4.57 -0.53 -1.98 114.58 119.86 2km6 h GLU 79 Ca 0.24 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.42 2km6 h GLU 79 Cb -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.54 2km6 h GLU 79 CO -0.05 0.53 -0.10 -1.33 -1.18 0.00 0.00 179.01 176.89 2km6 n MET 80 N -3.61 0.71 -2.35 1.92 2.81 -0.54 -4.90 117.12 111.16 2km6 n MET 80 Ca -0.00 -0.23 -0.14 0.00 -1.81 0.00 0.00 57.70 55.52 2km6 n MET 80 Cb 0.60 -1.50 -0.00 0.00 -0.71 0.00 0.00 33.22 31.61 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 -0.95 -4.28 -4.72 7.83 5.15 -0.34 -4.98 115.26 112.98 2km6 n ASN 81 Ca 0.15 -0.04 -0.41 0.00 -0.60 0.00 0.00 54.58 53.67 2km6 n ASN 81 Cb 0.27 -3.40 -0.04 0.00 -0.53 0.00 0.00 39.78 36.09 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 -4.03 4.44 0.07 1.20 1.43 0.56 -4.91 118.68 117.43 2km6 s LEU 82 Ca 0.04 1.76 -0.01 0.00 -1.03 0.00 0.00 54.13 54.89 2km6 s LEU 82 Cb -0.02 -3.58 -0.00 0.00 0.03 0.00 0.00 46.19 42.62 2km6 s LEU 82 CO 0.04 -0.17 -0.02 0.35 0.23 0.00 0.00 176.35 176.79 2km6 n THR 83 N 3.26 1.06 -0.23 5.49 -2.24 -1.26 -4.50 114.28 115.86 2km6 n THR 83 Ca 0.04 0.33 -0.06 0.00 -2.27 0.00 0.00 64.05 62.09 2km6 n THR 83 Cb 0.50 -1.61 -0.06 0.00 -2.10 0.00 0.00 70.33 67.06 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 -3.47 -0.24 0.05 -0.78 0.00 -1.26 0.08 120.64 115.01 2km6 n GLU 84 Ca -0.01 1.21 0.12 0.00 0.00 0.00 0.00 57.16 58.48 2km6 n GLU 84 Cb 0.11 -1.79 0.07 0.00 0.00 0.00 0.00 31.44 29.82 2km6 n GLU 84 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.13 178.60 2km6 n LEU 85 N -4.26 0.66 0.09 -1.84 -0.00 -1.26 -3.93 117.00 106.46 2km6 n LEU 85 Ca 0.01 0.13 -0.03 0.00 -0.00 0.00 0.00 56.01 56.12 2km6 n LEU 85 Cb 0.14 -0.12 0.19 0.00 -0.00 0.00 0.00 43.42 43.63 2km6 n LEU 85 CO -0.09 -0.03 0.59 0.00 -0.00 0.00 0.00 177.39 177.86 2km6 h LYS 87 N 0.20 0.00 -0.09 0.00 1.57 -0.47 0.14 116.57 117.92 2km6 h LYS 87 Ca 0.01 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.56 2km6 h LYS 87 Cb 0.91 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.23 2km6 h LYS 87 CO 0.07 0.15 -0.86 1.98 -0.57 0.00 0.00 179.45 180.22 2km6 h MET 88 N 0.00 0.68 -0.47 3.15 4.05 -1.38 -2.28 114.93 118.68 2km6 h MET 88 Ca -0.00 -0.62 -0.12 0.00 -0.28 0.00 0.00 59.70 58.68 2km6 h MET 88 Cb 0.48 0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 31.42 2km6 h MET 88 CO 0.02 1.22 -0.19 0.00 0.23 0.00 0.00 176.91 178.19 2km6 h ALA 89 N 0.58 0.78 0.00 0.39 0.00 -0.59 0.27 119.26 120.70 2km6 h ALA 89 Ca -0.07 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2km6 h ALA 89 Cb 1.49 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2km6 h ALA 89 CO 0.17 0.66 0.00 0.87 0.00 0.00 0.00 179.25 180.95 2km6 h LYS 90 N 0.81 0.00 0.00 0.00 1.57 -0.70 0.17 116.57 118.42 2km6 h LYS 90 Ca 0.11 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.85 2km6 h LYS 90 Cb 0.74 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 2km6 h LYS 90 CO 0.06 0.00 -0.75 0.00 -0.57 0.00 0.00 179.45 178.19 2km6 n ALA 91 N -1.95 0.59 0.07 3.86 0.00 -0.83 -4.26 120.51 117.98 2km6 n ALA 91 Ca 0.00 -0.52 -0.04 0.00 0.00 0.00 0.00 53.44 52.88 2km6 n ALA 91 Cb 0.20 -0.05 -0.02 0.00 0.00 0.00 0.00 19.45 19.58 2km6 n ALA 91 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2km6 h GLU 92 N -1.00 -0.26 0.00 0.00 4.39 -0.43 -3.34 114.58 113.93 2km6 h GLU 92 Ca -0.07 0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 2km6 h GLU 92 Cb 0.72 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.43 2km6 h GLU 92 CO -0.04 -0.18 -0.09 0.52 -1.16 0.00 0.00 179.01 178.07 2km6 h MET 93 N -1.05 0.00 -5.12 2.33 2.86 -0.86 -3.32 114.93 109.77 2km6 h MET 93 Ca -0.03 0.00 -0.72 0.00 -2.06 0.00 0.00 59.70 56.89 2km6 h MET 93 Cb 0.21 0.00 -0.15 0.00 0.06 0.00 0.00 31.60 31.73 2km6 h MET 93 CO 0.05 0.09 1.62 -1.64 1.06 0.00 0.00 176.91 178.09 2km6 s MET 94 N -3.61 4.05 -1.34 1.72 -1.94 -0.64 -4.78 119.30 112.76 2km6 s MET 94 Ca 0.02 -2.38 -0.16 0.00 -1.71 0.00 0.00 55.69 51.46 2km6 s MET 94 Cb 0.09 -5.22 0.03 0.00 2.01 0.00 0.00 34.83 31.74 2km6 s MET 94 CO 0.59 -1.93 2.03 -1.91 -0.01 0.00 0.00 175.02 173.79 2km6 n GLU 95 N 6.56 2.80 -3.71 2.03 2.13 -1.25 -4.75 120.64 124.45 2km6 n GLU 95 Ca 0.40 -2.76 -0.10 0.00 0.66 0.00 0.00 57.16 55.37 2km6 n GLU 95 Cb 0.44 -3.35 -0.05 0.00 0.27 0.00 0.00 31.44 28.75 2km6 n GLU 95 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2km6 s ASP 96 N 3.84 -0.14 0.00 4.31 1.01 -1.26 -5.05 116.67 119.38 2km6 s ASP 96 Ca 0.51 -0.43 0.00 0.00 0.71 0.00 0.00 52.55 53.34 2km6 s ASP 96 Cb 0.10 0.45 0.00 0.00 1.01 0.00 0.00 42.92 44.48 2km6 s ASP 96 CO -0.01 -0.84 0.00 0.61 0.21 0.00 0.00 175.17 175.15 2km6 n GLY 97 N -0.19 1.26 0.25 0.21 0.00 -1.26 -5.13 105.19 100.34 2km6 n GLY 97 Ca -0.15 -1.75 0.03 0.00 0.00 0.00 0.00 46.02 44.15 2km6 n GLY 97 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26