#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 3.59 0.20 1.12 -4.23 -1.26 -5.01 115.64 110.04 2km6 s THR 4 Ca 0.00 -0.47 -0.12 0.00 -1.18 0.00 0.00 61.69 59.92 2km6 s THR 4 Cb 0.00 -2.54 0.15 0.00 1.34 0.00 0.00 72.50 71.45 2km6 s THR 4 CO 0.00 0.51 1.69 0.77 -0.54 0.00 0.00 174.62 177.06 2km6 h SER 5 N 6.58 -0.10 0.63 3.99 4.64 -2.05 0.41 113.55 127.65 2km6 h SER 5 Ca -0.31 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 2km6 h SER 5 Cb 1.20 0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 2km6 h SER 5 CO 0.60 -0.03 0.00 -0.81 -0.87 0.00 0.00 176.83 175.71 2km6 n PRO 6 N -5.18 0.17 -0.10 4.77 -0.04 -1.26 -1.90 135.00 131.47 2km6 n PRO 6 Ca 0.07 0.44 -0.17 0.00 -0.04 0.00 0.00 63.50 63.80 2km6 n PRO 6 Cb 0.30 -1.85 -0.13 0.00 -0.04 0.00 0.00 33.50 31.78 2km6 n PRO 6 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2km6 n GLN 7 N -2.18 0.67 0.43 0.54 3.00 -0.31 -3.87 117.38 115.67 2km6 n GLN 7 Ca 0.02 0.15 -0.17 0.00 -0.01 0.00 0.00 57.00 56.98 2km6 n GLN 7 Cb 0.20 -1.56 -0.08 0.00 0.00 0.00 0.00 30.24 28.80 2km6 n GLN 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 2km6 h LEU 8 N 0.01 -1.00 -1.42 1.08 7.12 0.07 0.16 115.31 121.33 2km6 h LEU 8 Ca -0.54 0.04 -0.06 0.00 0.13 0.00 0.00 57.88 57.45 2km6 h LEU 8 Cb 1.98 0.27 -0.01 0.00 -0.53 0.00 0.00 40.66 42.37 2km6 h LEU 8 CO -0.04 -0.69 -0.29 -0.08 -0.13 0.00 0.00 178.44 177.22 2km6 h GLU 9 N -1.12 0.00 -0.42 1.25 4.81 -1.62 -1.98 114.58 115.49 2km6 h GLU 9 Ca -0.11 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.12 2km6 h GLU 9 Cb 0.87 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.23 2km6 h GLU 9 CO 0.17 0.29 0.25 2.35 -0.73 0.00 0.00 179.01 181.34 2km6 h TRP 10 N 0.00 0.56 -0.45 0.92 7.01 -1.59 0.61 115.95 123.02 2km6 h TRP 10 Ca -0.00 -0.00 -0.05 0.00 2.11 0.00 0.00 58.89 60.95 2km6 h TRP 10 Cb 0.52 -0.18 -0.02 0.00 -2.10 0.00 0.00 29.16 27.38 2km6 h TRP 10 CO 0.00 0.40 0.10 1.15 -2.79 0.00 0.00 178.44 177.30 2km6 h THR 11 N 0.56 1.24 -0.17 2.65 2.02 0.07 0.23 112.91 119.51 2km6 h THR 11 Ca 0.15 -0.83 -0.01 0.00 0.77 0.00 0.00 66.41 66.49 2km6 h THR 11 Cb 0.01 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 2km6 h THR 11 CO -0.03 0.29 0.06 -0.07 0.37 0.00 0.00 175.52 176.15 2km6 h LEU 12 N 0.60 0.23 -0.75 2.58 3.38 -1.36 -2.97 115.31 117.02 2km6 h LEU 12 Ca 0.14 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 2km6 h LEU 12 Cb 0.34 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 2km6 h LEU 12 CO 0.00 0.35 0.32 0.06 0.09 0.00 0.00 178.44 179.26 2km6 h GLN 13 N 0.10 1.11 -0.08 1.13 3.07 -0.57 -2.06 115.11 117.81 2km6 h GLN 13 Ca 0.05 -0.19 0.02 0.00 0.09 0.00 0.00 58.65 58.63 2km6 h GLN 13 Cb 0.19 -0.19 -0.00 0.00 0.08 0.00 0.00 27.48 27.56 2km6 h GLN 13 CO -0.00 0.90 0.06 1.15 0.09 0.00 0.00 178.83 181.02 2km6 h THR 14 N 1.07 0.88 0.01 1.86 2.02 -0.81 0.81 112.91 118.76 2km6 h THR 14 Ca 0.25 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.41 2km6 h THR 14 Cb 0.19 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 2km6 h THR 14 CO -0.02 0.00 -0.10 -0.07 0.37 0.00 0.00 175.52 175.70 2km6 h LEU 15 N 0.00 0.07 -0.92 2.58 3.38 -1.29 -3.27 115.31 115.86 2km6 h LEU 15 Ca 0.04 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 57.12 2km6 h LEU 15 Cb 0.16 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2km6 h LEU 15 CO -0.00 0.95 0.00 -0.07 0.09 0.00 0.00 178.44 179.41 2km6 h LEU 16 N -0.80 0.00 0.00 1.67 3.38 -0.56 -0.76 115.31 118.24 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 0.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 2km6 h LEU 16 CO 0.02 0.00 -0.05 -0.62 0.09 0.00 0.00 178.44 177.88 2km6 n GLU 17 N -2.87 0.03 -0.13 1.13 1.02 0.27 -3.27 120.64 116.83 2km6 n GLU 17 Ca 0.02 0.03 -0.27 0.00 -0.02 0.00 0.00 57.16 56.92 2km6 n GLU 17 Cb 0.35 -1.54 -0.10 0.00 -0.02 0.00 0.00 31.44 30.12 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 -1.60 0.58 -3.30 3.49 6.02 -0.52 -4.83 117.38 117.23 2km6 n GLN 18 Ca 0.07 0.37 -0.42 0.00 -0.01 0.00 0.00 57.00 57.00 2km6 n GLN 18 Cb 0.35 -1.58 -0.08 0.00 1.02 0.00 0.00 30.24 29.95 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 -7.64 4.61 0.19 1.08 0.05 -0.41 -4.72 118.68 111.84 2km6 s LEU 19 Ca -0.35 -0.39 0.00 0.00 0.05 0.00 0.00 54.13 53.44 2km6 s LEU 19 Cb 0.12 -2.46 0.00 0.00 -2.05 0.00 0.00 46.19 41.80 2km6 s LEU 19 CO 0.52 -0.53 0.00 -0.46 -0.55 0.00 0.00 176.35 175.33 2km6 n ASN 20 N 5.66 -1.69 -0.33 1.48 0.23 -1.26 -4.44 115.26 114.91 2km6 n ASN 20 Ca -0.06 0.43 -0.09 0.00 -0.53 0.00 0.00 54.58 54.32 2km6 n ASN 20 Cb 0.48 1.80 -0.06 0.00 -2.08 0.00 0.00 39.78 39.92 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 -0.10 0.00 -3.83 4.81 -1.92 -1.06 114.58 112.48 2km6 h GLU 21 Ca 0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2km6 h GLU 21 Cb 0.00 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.40 2km6 h GLU 21 CO 0.00 -0.07 0.00 -0.25 -0.73 0.00 0.00 179.01 177.96 2km6 n ASP 22 N -5.34 1.11 -0.04 1.04 8.00 -1.26 -4.76 116.55 115.30 2km6 n ASP 22 Ca 0.03 -1.42 -0.13 0.00 0.71 0.00 0.00 54.79 53.98 2km6 n ASP 22 Cb 0.31 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.27 2km6 n ASP 22 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2km6 n GLU 23 N -0.21 0.68 0.21 -1.24 -0.58 -0.96 -4.01 120.64 114.52 2km6 n GLU 23 Ca 0.00 0.22 0.06 0.00 -0.42 0.00 0.00 57.16 57.02 2km6 n GLU 23 Cb 0.23 -1.69 0.47 0.00 -0.57 0.00 0.00 31.44 29.87 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 -0.56 -4.62 5.85 -1.42 -2.06 115.31 112.51 2km6 h LEU 24 Ca -0.40 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.37 2km6 h LEU 24 Cb 2.05 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 43.04 2km6 h LEU 24 CO 0.06 0.28 0.30 0.11 -0.34 0.00 0.00 178.44 178.84 2km6 h LYS 25 N 0.00 0.55 0.17 1.25 1.57 -1.76 0.18 116.57 118.53 2km6 h LYS 25 Ca -0.00 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2km6 h LYS 25 Cb 0.58 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2km6 h LYS 25 CO 0.04 0.36 -0.08 0.77 -0.57 0.00 0.00 179.45 179.97 2km6 h SER 26 N 0.57 -0.19 -0.56 0.86 0.02 -1.57 -3.11 113.55 109.57 2km6 h SER 26 Ca 0.25 -0.21 0.11 0.00 -0.84 0.00 0.00 61.79 61.10 2km6 h SER 26 Cb 0.15 0.05 -0.10 0.00 0.14 0.00 0.00 62.40 62.64 2km6 h SER 26 CO -0.16 0.12 -0.05 0.15 -1.14 0.00 0.00 176.83 175.74 2km6 h PHE 27 N -0.52 -0.13 -0.83 3.45 3.04 -0.92 -0.44 116.94 120.59 2km6 h PHE 27 Ca -0.02 0.04 0.11 0.00 3.98 0.00 0.00 57.97 62.08 2km6 h PHE 27 Cb 0.40 0.14 -0.08 0.00 2.56 0.00 0.00 35.95 38.97 2km6 h PHE 27 CO 0.02 -0.18 0.46 0.87 -2.02 0.00 0.00 178.31 177.46 2km6 h LYS 28 N 0.07 0.73 -0.00 1.11 1.57 -0.68 -0.21 116.57 119.16 2km6 h LYS 28 Ca 0.28 -0.04 -0.18 0.00 -1.87 0.00 0.00 60.65 58.84 2km6 h LYS 28 Cb 0.44 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 2km6 h LYS 28 CO -0.51 0.48 -0.81 1.03 -0.57 0.00 0.00 179.45 179.07 2km6 h SER 29 N 0.75 0.10 0.03 0.86 0.87 -1.13 -2.97 113.55 112.06 2km6 h SER 29 Ca 0.42 -0.08 -0.24 0.00 -1.23 0.00 0.00 61.79 60.66 2km6 h SER 29 Cb 0.44 -0.03 0.02 0.00 -0.44 0.00 0.00 62.40 62.40 2km6 h SER 29 CO -0.28 0.86 -0.97 -0.07 -0.53 0.00 0.00 176.83 175.85 2km6 h LEU 30 N 0.04 0.80 -0.11 2.23 3.38 0.16 -1.11 115.31 120.71 2km6 h LEU 30 Ca -0.02 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 57.18 2km6 h LEU 30 Cb 1.42 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2km6 h LEU 30 CO 0.11 1.47 0.00 0.17 0.09 0.00 0.00 178.44 180.28 2km6 h LEU 31 N 0.22 0.00 0.00 1.67 -0.00 -1.17 -2.35 115.31 113.68 2km6 h LEU 31 Ca -0.13 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.69 2km6 h LEU 31 Cb 1.65 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 42.30 2km6 h LEU 31 CO 0.19 0.00 -0.42 -0.50 -0.00 0.00 0.00 178.44 177.71 2km6 h TRP 32 N 0.00 0.00 -0.06 0.17 6.55 -1.47 -3.35 115.95 117.80 2km6 h TRP 32 Ca 0.00 0.00 -0.04 0.00 0.95 0.00 0.00 58.89 59.80 2km6 h TRP 32 Cb 0.82 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.12 2km6 h TRP 32 CO 0.00 0.26 -0.14 0.00 -1.05 0.00 0.00 178.44 177.51 2km6 h ALA 33 N 1.74 0.09 -2.47 1.49 0.00 -0.65 -3.45 119.26 116.02 2km6 h ALA 33 Ca -0.01 -0.35 -0.49 0.00 0.00 0.00 0.00 54.91 54.05 2km6 h ALA 33 Cb 1.21 -0.01 0.05 0.00 0.00 0.00 0.00 17.79 19.04 2km6 h ALA 33 CO 0.03 -0.00 0.41 -0.59 0.00 0.00 0.00 179.25 179.10 2km6 s PHE 34 N -3.86 2.81 -0.30 0.00 -0.12 -1.14 -4.90 117.98 110.47 2km6 s PHE 34 Ca -0.15 1.56 -0.28 0.00 -0.05 0.00 0.00 56.93 58.00 2km6 s PHE 34 Cb 0.03 -3.18 -0.04 0.00 -0.63 0.00 0.00 43.02 39.20 2km6 s PHE 34 CO 0.73 -1.26 2.07 -1.25 -0.05 0.00 0.00 175.22 175.46 2km6 s PRO 35 N -3.34 3.09 0.43 1.99 0.04 -1.26 -4.94 135.00 131.00 2km6 s PRO 35 Ca 0.70 1.70 -0.23 0.00 0.04 0.00 0.00 61.00 63.20 2km6 s PRO 35 Cb -0.20 -4.33 -0.08 0.00 0.04 0.00 0.00 34.50 29.92 2km6 s PRO 35 CO 0.25 -2.15 1.07 -0.51 0.04 0.00 0.00 177.00 175.71 2km6 s LEU 36 N 8.17 4.05 0.00 -3.56 1.43 -1.26 -5.04 118.68 122.47 2km6 s LEU 36 Ca 0.91 2.08 -0.02 0.00 -1.03 0.00 0.00 54.13 56.07 2km6 s LEU 36 Cb -0.27 -4.27 0.08 0.00 0.03 0.00 0.00 46.19 41.76 2km6 s LEU 36 CO 0.33 -0.65 0.52 -0.62 0.23 0.00 0.00 176.35 176.16 2km6 n GLU 37 N -0.35 0.06 -0.11 1.70 1.02 -1.26 -4.73 120.64 116.97 2km6 n GLU 37 Ca 0.06 -1.24 -0.06 0.00 -0.02 0.00 0.00 57.16 55.90 2km6 n GLU 37 Cb 0.50 -0.40 -0.05 0.00 -0.02 0.00 0.00 31.44 31.47 2km6 n GLU 37 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 2km6 h ASP 38 N -0.42 -0.94 -0.08 1.62 2.03 -2.01 -0.83 116.42 115.79 2km6 h ASP 38 Ca -0.17 0.13 -0.11 0.00 -0.73 0.00 0.00 57.03 56.15 2km6 h ASP 38 Cb 0.59 0.40 -0.01 0.00 -0.83 0.00 0.00 39.33 39.47 2km6 h ASP 38 CO 0.17 -0.16 -0.30 0.58 -1.03 0.00 0.00 179.24 178.49 2km6 h VAL 39 N -0.13 1.28 0.00 4.15 2.07 -1.94 -2.94 116.25 118.74 2km6 h VAL 39 Ca 0.05 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.18 2km6 h VAL 39 Cb 0.25 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 2km6 h VAL 39 CO -0.34 0.44 0.00 0.18 0.02 0.00 0.00 177.57 177.87 2km6 n LEU 40 N -4.09 0.00 0.12 2.57 7.99 -0.78 -1.09 117.00 121.72 2km6 n LEU 40 Ca -0.01 0.38 0.12 0.00 -0.01 0.00 0.00 56.01 56.50 2km6 n LEU 40 Cb 0.45 -0.38 0.46 0.00 -0.11 0.00 0.00 43.42 43.84 2km6 n LEU 40 CO 0.43 -0.17 0.87 0.00 -1.51 0.00 0.00 177.39 177.01 2km6 n GLN 41 N -1.38 0.22 -3.47 3.23 1.13 -0.39 -4.20 117.38 112.52 2km6 n GLN 41 Ca 0.06 0.34 -0.43 0.00 -1.94 0.00 0.00 57.00 55.04 2km6 n GLN 41 Cb 0.15 -1.84 -0.08 0.00 0.11 0.00 0.00 30.24 28.58 2km6 n GLN 41 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 2km6 s LYS 42 N -3.24 2.74 -0.29 -1.09 2.20 -0.25 -5.01 119.74 114.80 2km6 s LYS 42 Ca 0.07 -1.59 -0.07 0.00 -0.36 0.00 0.00 55.97 54.01 2km6 s LYS 42 Cb 0.10 -4.03 0.14 0.00 -1.51 0.00 0.00 37.83 32.54 2km6 s LYS 42 CO 0.47 -1.13 0.60 -0.08 -0.36 0.00 0.00 175.35 174.85 2km6 s THR 43 N 1.50 -0.95 -0.80 3.43 -1.32 -1.26 -4.92 115.64 111.32 2km6 s THR 43 Ca 0.04 0.01 -0.25 0.00 -1.21 0.00 0.00 61.69 60.28 2km6 s THR 43 Cb -0.26 -0.96 -0.01 0.00 -1.51 0.00 0.00 72.50 69.76 2km6 s THR 43 CO 0.02 0.00 1.73 -2.16 -2.21 0.00 0.00 174.62 172.00 2km6 s PRO 44 N 2.85 2.85 0.36 7.08 0.04 -1.26 -4.84 135.00 142.08 2km6 s PRO 44 Ca 0.02 -0.12 0.04 0.00 0.04 0.00 0.00 61.00 60.98 2km6 s PRO 44 Cb -0.13 -4.74 0.70 0.00 0.04 0.00 0.00 34.50 30.37 2km6 s PRO 44 CO -0.19 -2.77 1.99 2.35 0.04 0.00 0.00 177.00 178.42 2km6 h TRP 45 N 12.07 0.77 -0.60 0.56 2.91 -1.99 -0.93 115.95 128.73 2km6 h TRP 45 Ca -0.07 0.02 0.10 0.00 1.13 0.00 0.00 58.89 60.07 2km6 h TRP 45 Cb 1.07 -0.26 -0.04 0.00 -0.51 0.00 0.00 29.16 29.42 2km6 h TRP 45 CO 1.16 0.45 0.40 0.77 -1.03 0.00 0.00 178.44 180.18 2km6 h SER 46 N 0.79 0.37 0.21 2.65 0.02 -2.00 0.27 113.55 115.87 2km6 h SER 46 Ca 0.27 0.01 -0.33 0.00 -0.84 0.00 0.00 61.79 60.89 2km6 h SER 46 Cb 0.07 -0.07 0.02 0.00 0.14 0.00 0.00 62.40 62.57 2km6 h SER 46 CO -0.07 0.23 -1.58 -0.33 -1.14 0.00 0.00 176.83 173.93 2km6 h GLU 47 N 0.41 0.44 0.00 3.45 5.08 -1.64 -3.26 114.58 119.06 2km6 h GLU 47 Ca 0.28 -0.76 -0.02 0.00 -1.00 0.00 0.00 59.36 57.86 2km6 h GLU 47 Cb 0.53 0.28 -0.00 0.00 0.50 0.00 0.00 28.75 30.06 2km6 h GLU 47 CO -0.08 1.36 -0.09 -0.39 -1.00 0.00 0.00 179.01 178.82 2km6 h VAL 48 N 0.07 0.85 0.14 3.13 -1.51 -0.13 -0.71 116.25 118.10 2km6 h VAL 48 Ca -0.30 -0.33 -0.01 0.00 -1.23 0.00 0.00 66.70 64.83 2km6 h VAL 48 Cb 2.08 1.19 0.00 0.00 -2.13 0.00 0.00 31.29 32.44 2km6 h VAL 48 CO 0.21 0.09 -0.07 -0.08 -1.23 0.00 0.00 177.57 176.49 2km6 h GLU 49 N 0.00 -0.19 0.00 5.19 4.22 -0.60 -3.27 114.58 119.94 2km6 h GLU 49 Ca -0.00 0.01 -0.17 0.00 0.08 0.00 0.00 59.36 59.29 2km6 h GLU 49 Cb 0.18 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 2km6 h GLU 49 CO 0.01 0.16 -0.79 0.93 -2.18 0.00 0.00 179.01 177.14 2km6 h GLU 50 N -0.57 0.00 -7.26 1.92 5.08 -1.50 -3.45 114.58 108.81 2km6 h GLU 50 Ca -0.02 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.83 2km6 h GLU 50 Cb 0.44 0.00 0.09 0.00 0.50 0.00 0.00 28.75 29.78 2km6 h GLU 50 CO 0.03 0.79 0.36 0.00 -1.00 0.00 0.00 179.01 179.20 2km6 s ALA 51 N -3.06 2.60 0.01 3.43 0.00 -0.31 -5.07 121.76 119.36 2km6 s ALA 51 Ca 0.01 0.29 -0.14 0.00 0.00 0.00 0.00 51.96 52.12 2km6 s ALA 51 Cb 0.11 -3.23 0.02 0.00 0.00 0.00 0.00 23.12 20.01 2km6 s ALA 51 CO 0.79 -1.18 0.30 0.16 0.00 0.00 0.00 175.76 175.82 2km6 s ASP 52 N -3.19 -0.15 0.70 0.00 1.47 -1.26 -4.78 116.67 109.46 2km6 s ASP 52 Ca 0.62 -0.05 0.00 0.00 1.18 0.00 0.00 52.55 54.30 2km6 s ASP 52 Cb -0.16 0.33 0.00 0.00 -0.34 0.00 0.00 42.92 42.74 2km6 s ASP 52 CO 0.47 -0.52 0.00 0.61 0.68 0.00 0.00 175.17 176.41 2km6 n GLY 53 N 0.98 1.04 0.09 2.12 0.00 -1.20 -1.26 105.19 106.96 2km6 n GLY 53 Ca -0.20 0.64 -0.10 0.00 0.00 0.00 0.00 46.02 46.35 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 0.12 -0.64 1.61 3.11 -1.84 -1.89 116.57 117.03 2km6 h LYS 54 Ca 0.00 -0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 57.82 2km6 h LYS 54 Cb 0.00 -0.03 -0.03 0.00 -1.00 0.00 0.00 32.23 31.17 2km6 h LYS 54 CO 0.00 0.08 0.35 0.87 -2.81 0.00 0.00 179.45 177.94 2km6 h LYS 55 N 0.12 0.89 -0.48 1.90 1.79 -1.57 -1.31 116.57 117.90 2km6 h LYS 55 Ca 0.07 -0.09 -0.13 0.00 -2.18 0.00 0.00 60.65 58.32 2km6 h LYS 55 Cb 0.04 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 30.50 2km6 h LYS 55 CO -0.07 0.65 -0.19 1.25 -1.08 0.00 0.00 179.45 180.01 2km6 h LEU 56 N 0.89 0.99 -1.50 2.94 5.85 -1.43 -2.04 115.31 121.01 2km6 h LEU 56 Ca 0.23 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 2km6 h LEU 56 Cb 0.02 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 2km6 h LEU 56 CO -0.04 1.15 0.23 0.00 -0.34 0.00 0.00 178.44 179.44 2km6 h ALA 57 N 0.93 1.62 -0.46 1.25 0.00 -0.54 0.26 119.26 122.31 2km6 h ALA 57 Ca 0.12 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 2km6 h ALA 57 Cb 0.76 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2km6 h ALA 57 CO 0.06 0.32 -0.16 1.49 0.00 0.00 0.00 179.25 180.96 2km6 h GLU 58 N 0.57 0.89 -0.16 0.00 4.81 -0.81 -0.17 114.58 119.72 2km6 h GLU 58 Ca 0.15 -0.34 -0.17 0.00 -0.13 0.00 0.00 59.36 58.87 2km6 h GLU 58 Cb 0.02 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.34 2km6 h GLU 58 CO -0.02 0.98 -0.62 0.82 -0.73 0.00 0.00 179.01 179.44 2km6 h ILE 59 N 0.79 1.33 -0.24 2.32 2.04 -0.60 -1.86 117.51 121.29 2km6 h ILE 59 Ca 0.12 -1.90 -0.02 0.00 1.00 0.00 0.00 64.86 64.06 2km6 h ILE 59 Cb 0.69 1.87 -0.01 0.00 -0.74 0.00 0.00 36.82 38.64 2km6 h ILE 59 CO 0.05 0.59 0.08 -0.07 0.00 0.00 0.00 178.15 178.80 2km6 h LEU 60 N 0.41 0.35 -0.45 1.44 -0.00 -0.62 -2.73 115.31 113.70 2km6 h LEU 60 Ca -0.01 -0.20 0.00 0.00 -0.00 0.00 0.00 57.88 57.67 2km6 h LEU 60 Cb 1.18 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 41.75 2km6 h LEU 60 CO 0.12 0.45 0.00 1.33 -0.00 0.00 0.00 178.44 180.34 2km6 n VAL 61 N -4.76 0.74 0.12 1.22 0.24 -0.11 -0.11 118.33 115.67 2km6 n VAL 61 Ca -0.03 0.06 -0.02 0.00 -2.04 0.00 0.00 64.34 62.30 2km6 n VAL 61 Cb 0.15 -0.96 0.17 0.00 -1.47 0.00 0.00 33.84 31.73 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 0.11 0.00 -1.34 -1.24 -1.02 -3.37 115.58 108.71 2km6 h ASN 62 Ca 0.00 -0.06 -0.25 0.00 0.71 0.00 0.00 56.30 56.70 2km6 h ASN 62 Cb 0.49 -0.03 -0.04 0.00 0.73 0.00 0.00 38.32 39.47 2km6 h ASN 62 CO 0.00 0.66 -1.84 0.35 -1.29 0.00 0.00 177.43 175.32 2km6 n THR 63 N -3.87 0.82 -3.40 -3.57 -2.24 -1.00 -5.05 114.28 95.98 2km6 n THR 63 Ca -0.02 -0.23 -0.26 0.00 -2.27 0.00 0.00 64.05 61.27 2km6 n THR 63 Cb 0.59 -1.58 -0.02 0.00 -2.10 0.00 0.00 70.33 67.22 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 -6.18 6.37 0.38 3.42 0.01 0.84 -4.84 113.70 113.70 2km6 s SER 64 Ca -0.21 0.56 -0.13 0.00 1.31 0.00 0.00 55.95 57.48 2km6 s SER 64 Cb 0.08 -2.08 -0.08 0.00 0.21 0.00 0.00 66.02 64.15 2km6 s SER 64 CO 0.28 -0.22 0.77 -0.94 0.41 0.00 0.00 173.24 173.54 2km6 s SER 65 N -3.54 6.63 0.36 2.44 1.04 -1.26 -4.46 113.70 114.91 2km6 s SER 65 Ca 0.41 1.22 0.05 0.00 0.48 0.00 0.00 55.95 58.11 2km6 s SER 65 Cb -0.10 -2.36 0.69 0.00 0.10 0.00 0.00 66.02 64.35 2km6 s SER 65 CO 0.33 -0.33 1.97 1.05 0.98 0.00 0.00 173.24 177.23 2km6 h GLU 66 N 1.64 0.61 0.00 4.02 4.11 -1.95 -0.14 114.58 122.86 2km6 h GLU 66 Ca -0.47 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 58.88 2km6 h GLU 66 Cb 1.18 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.31 2km6 h GLU 66 CO 0.64 0.49 0.00 -0.97 0.07 0.00 0.00 179.01 179.25 2km6 h ASN 67 N 0.61 0.00 0.10 3.06 -0.73 -1.96 -0.60 115.58 116.06 2km6 h ASN 67 Ca 0.15 0.00 -0.35 0.00 1.87 0.00 0.00 56.30 57.97 2km6 h ASN 67 Cb 0.10 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.67 2km6 h ASN 67 CO -0.02 0.00 -1.92 1.87 -0.37 0.00 0.00 177.43 176.99 2km6 n TRP 68 N -2.81 1.14 -0.12 0.67 -0.00 -0.26 -4.17 117.44 111.89 2km6 n TRP 68 Ca 0.01 0.28 -0.01 0.00 -0.00 0.00 0.00 57.50 57.77 2km6 n TRP 68 Cb 0.25 -1.14 0.24 0.00 -0.00 0.00 0.00 31.31 30.66 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 -0.12 1.20 0.00 5.87 2.04 -0.57 -0.43 117.51 125.50 2km6 h ILE 69 Ca -0.43 -0.63 -0.00 0.00 1.00 0.00 0.00 64.86 64.81 2km6 h ILE 69 Cb 1.91 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 38.52 2km6 h ILE 69 CO 0.02 0.25 -0.00 0.08 0.00 0.00 0.00 178.15 178.50 2km6 h ARG 70 N 0.80 0.00 0.00 2.37 0.11 -1.29 0.33 114.38 116.69 2km6 h ARG 70 Ca 0.19 0.00 -0.20 0.00 0.10 0.00 0.00 59.98 60.07 2km6 h ARG 70 Cb 0.15 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.20 2km6 h ARG 70 CO -0.02 0.00 -1.16 -0.97 0.10 0.00 0.00 179.97 177.92 2km6 h ASN 71 N 0.00 0.00 0.03 0.08 -1.24 -1.35 -3.37 115.58 109.74 2km6 h ASN 71 Ca -0.00 -0.45 0.01 0.00 0.71 0.00 0.00 56.30 56.57 2km6 h ASN 71 Cb 0.05 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.08 2km6 h ASN 71 CO 0.00 1.40 -0.30 0.00 -1.29 0.00 0.00 177.43 177.24 2km6 h ALA 72 N -0.55 -0.78 -0.86 1.57 0.00 -0.31 -2.53 119.26 115.80 2km6 h ALA 72 Ca -0.31 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.55 2km6 h ALA 72 Cb 1.21 0.73 -0.04 0.00 0.00 0.00 0.00 17.79 19.69 2km6 h ALA 72 CO -0.19 -0.86 0.57 0.00 0.00 0.00 0.00 179.25 178.77 2km6 h THR 73 N -0.40 1.23 0.07 0.00 1.03 -1.22 -1.90 112.91 111.72 2km6 h THR 73 Ca 0.00 -0.42 0.01 0.00 -0.01 0.00 0.00 66.41 65.99 2km6 h THR 73 Cb 0.42 -0.04 -0.01 0.00 -1.07 0.00 0.00 68.15 67.45 2km6 h THR 73 CO -0.18 0.22 -0.09 0.58 -0.01 0.00 0.00 175.52 176.04 2km6 h VAL 74 N 1.17 0.79 -0.54 0.00 2.07 -1.68 0.17 116.25 118.24 2km6 h VAL 74 Ca 0.32 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.78 2km6 h VAL 74 Cb -0.12 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 2km6 h VAL 74 CO -0.07 0.00 0.14 0.78 0.02 0.00 0.00 177.57 178.44 2km6 h ASN 75 N -0.19 0.82 -0.69 0.57 4.21 -1.25 -0.04 115.58 119.01 2km6 h ASN 75 Ca 0.01 -0.23 -0.01 0.00 1.21 0.00 0.00 56.30 57.29 2km6 h ASN 75 Cb 0.19 -0.22 -0.03 0.00 -1.12 0.00 0.00 38.32 37.14 2km6 h ASN 75 CO -0.04 0.84 0.41 0.40 -1.29 0.00 0.00 177.43 177.75 2km6 h ILE 76 N 0.77 1.20 -0.59 2.81 1.08 -0.89 0.34 117.51 122.23 2km6 h ILE 76 Ca 0.17 -0.45 -0.06 0.00 -0.39 0.00 0.00 64.86 64.13 2km6 h ILE 76 Cb 0.33 0.26 -0.02 0.00 -3.07 0.00 0.00 36.82 34.31 2km6 h ILE 76 CO 0.00 0.21 0.15 -0.07 -0.69 0.00 0.00 178.15 177.75 2km6 h LEU 77 N 0.94 0.89 -1.50 1.44 4.07 -0.73 -1.72 115.31 118.69 2km6 h LEU 77 Ca 0.25 -0.23 -0.05 0.00 0.08 0.00 0.00 57.88 57.93 2km6 h LEU 77 Cb -0.02 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.48 2km6 h LEU 77 CO -0.05 0.89 -0.22 -0.33 -1.08 0.00 0.00 178.44 177.65 2km6 h GLU 78 N 0.85 0.04 0.00 1.13 5.08 -0.18 -1.38 114.58 120.11 2km6 h GLU 78 Ca 0.19 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2km6 h GLU 78 Cb 0.34 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2km6 h GLU 78 CO 0.00 0.26 0.00 0.39 -1.00 0.00 0.00 179.01 178.66 2km6 n GLU 79 N -4.26 0.44 -0.30 2.33 1.02 0.11 -2.33 120.64 117.65 2km6 n GLU 79 Ca -0.02 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.21 2km6 n GLU 79 Cb 0.29 -1.50 0.25 0.00 -0.02 0.00 0.00 31.44 30.46 2km6 n GLU 79 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2km6 n MET 80 N -1.28 2.85 -1.49 3.49 2.81 -0.64 -4.94 117.12 117.93 2km6 n MET 80 Ca 0.14 -2.42 -0.14 0.00 -1.81 0.00 0.00 57.70 53.47 2km6 n MET 80 Cb 0.24 -1.46 -0.06 0.00 -0.71 0.00 0.00 33.22 31.23 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 1.10 -4.69 -4.47 7.83 5.15 -0.98 -4.97 115.26 114.23 2km6 n ASN 81 Ca 0.19 0.32 -0.43 0.00 -0.60 0.00 0.00 54.58 54.06 2km6 n ASN 81 Cb 0.56 -3.48 -0.08 0.00 -0.53 0.00 0.00 39.78 36.25 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 -3.32 4.93 -0.20 1.20 1.43 -0.62 -4.89 118.68 117.21 2km6 s LEU 82 Ca 0.00 -0.75 -0.15 0.00 -1.03 0.00 0.00 54.13 52.19 2km6 s LEU 82 Cb 0.00 -2.40 -0.08 0.00 0.03 0.00 0.00 46.19 43.73 2km6 s LEU 82 CO 0.00 -0.65 -0.22 0.35 0.23 0.00 0.00 176.35 176.06 2km6 n THR 83 N 5.47 1.49 -0.06 5.49 -2.24 -1.26 -3.98 114.28 119.19 2km6 n THR 83 Ca -0.07 0.02 -0.02 0.00 -2.27 0.00 0.00 64.05 61.71 2km6 n THR 83 Cb 0.47 -2.21 -0.02 0.00 -2.10 0.00 0.00 70.33 66.47 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 -1.00 -0.01 0.00 -0.78 4.11 -1.99 0.43 114.58 115.35 2km6 h GLU 84 Ca -0.21 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.16 2km6 h GLU 84 Cb 1.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 2km6 h GLU 84 CO -0.12 -0.00 -0.29 1.37 0.07 0.00 0.00 179.01 180.03 2km6 h LEU 85 N -0.01 0.00 -0.78 3.06 -0.00 -2.00 -2.52 115.31 113.07 2km6 h LEU 85 Ca 0.02 0.00 -0.13 0.00 -0.00 0.00 0.00 57.88 57.78 2km6 h LEU 85 Cb 0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.72 2km6 h LEU 85 CO -0.14 0.29 -0.45 0.00 -0.00 0.00 0.00 178.44 178.14 2km6 n LYS 87 N -4.00 0.06 0.06 0.00 5.02 0.14 -0.16 118.16 119.27 2km6 n LYS 87 Ca -0.02 0.27 -0.21 0.00 -2.02 0.00 0.00 58.31 56.34 2km6 n LYS 87 Cb 0.52 -1.60 -0.15 0.00 -0.02 0.00 0.00 35.03 33.79 2km6 n LYS 87 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 2km6 h MET 88 N 0.00 0.36 -0.60 1.97 2.86 -1.24 -2.97 114.93 115.31 2km6 h MET 88 Ca 0.00 -0.59 -0.05 0.00 -2.06 0.00 0.00 59.70 57.00 2km6 h MET 88 Cb 0.31 0.21 -0.03 0.00 0.06 0.00 0.00 31.60 32.16 2km6 h MET 88 CO 0.00 1.27 0.18 0.00 1.06 0.00 0.00 176.91 179.42 2km6 h ALA 89 N 0.12 0.79 0.00 6.32 0.00 -0.73 0.11 119.26 125.87 2km6 h ALA 89 Ca -0.16 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2km6 h ALA 89 Cb 1.72 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.27 2km6 h ALA 89 CO 0.17 0.46 0.00 1.63 0.00 0.00 0.00 179.25 181.52 2km6 n LYS 90 N -4.39 0.02 -0.09 0.00 5.02 0.77 -0.12 118.16 119.36 2km6 n LYS 90 Ca 0.03 0.20 -0.23 0.00 -2.02 0.00 0.00 58.31 56.30 2km6 n LYS 90 Cb 0.21 -1.53 -0.12 0.00 -0.02 0.00 0.00 35.03 33.57 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 -1.52 1.12 -0.06 7.82 0.00 -0.62 -4.33 120.51 122.92 2km6 n ALA 91 Ca 0.04 -0.87 -0.04 0.00 0.00 0.00 0.00 53.44 52.58 2km6 n ALA 91 Cb 0.22 -0.27 -0.01 0.00 0.00 0.00 0.00 19.45 19.39 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 -0.42 0.00 0.00 0.00 4.39 -0.64 -3.39 114.58 114.52 2km6 h GLU 92 Ca -0.53 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.17 2km6 h GLU 92 Cb 1.75 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.40 2km6 h GLU 92 CO -0.16 0.00 0.00 0.52 -1.16 0.00 0.00 179.01 178.21 2km6 h MET 93 N -0.82 0.00 -4.83 2.33 2.86 -0.71 -3.32 114.93 110.44 2km6 h MET 93 Ca 0.00 0.00 -0.72 0.00 -2.06 0.00 0.00 59.70 56.92 2km6 h MET 93 Cb 0.40 0.00 -0.18 0.00 0.06 0.00 0.00 31.60 31.88 2km6 h MET 93 CO 0.00 0.00 1.19 -1.64 1.06 0.00 0.00 176.91 177.52 2km6 s MET 94 N -3.70 3.94 -0.57 1.72 -1.94 -0.99 -4.80 119.30 112.97 2km6 s MET 94 Ca 0.01 -2.34 -0.13 0.00 -1.71 0.00 0.00 55.69 51.51 2km6 s MET 94 Cb 0.09 -5.02 0.14 0.00 2.01 0.00 0.00 34.83 32.06 2km6 s MET 94 CO 0.53 -1.76 0.50 -2.00 -0.01 0.00 0.00 175.02 172.28 2km6 s GLU 95 N 1.89 2.93 0.07 2.03 2.56 -1.25 -4.77 118.70 122.16 2km6 s GLU 95 Ca 0.40 -1.89 0.00 0.00 0.00 0.00 0.00 54.97 53.47 2km6 s GLU 95 Cb -0.03 -4.19 0.00 0.00 2.00 0.00 0.00 34.13 31.90 2km6 s GLU 95 CO -0.03 -1.28 0.00 -3.47 -0.56 0.00 0.00 175.26 169.92 2km6 n ASP 96 N 4.86 -8.71 -1.16 -1.70 -0.08 -1.26 -5.10 116.55 103.40 2km6 n ASP 96 Ca -0.07 1.56 -0.01 0.00 -1.51 0.00 0.00 54.79 54.77 2km6 n ASP 96 Cb 0.41 -4.78 0.00 0.00 2.34 0.00 0.00 41.12 39.10 2km6 n ASP 96 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2km6 n GLY 97 N 1.68 1.87 0.52 0.27 0.00 -1.26 -5.23 105.19 103.04 2km6 n GLY 97 Ca 0.00 -1.03 0.14 0.00 0.00 0.00 0.00 46.02 45.13 2km6 n GLY 97 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26