#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 0.07 0.16 1.12 2.01 -1.26 -4.86 115.64 112.88 2km6 s THR 4 Ca 0.00 -1.06 -0.21 0.00 0.31 0.00 0.00 61.69 60.73 2km6 s THR 4 Cb 0.00 -1.59 0.06 0.00 0.01 0.00 0.00 72.50 70.98 2km6 s THR 4 CO 0.00 -0.30 1.62 0.28 -0.69 0.00 0.00 174.62 175.53 2km6 h SER 5 N 2.45 -0.82 -0.73 3.53 0.02 -2.01 0.44 113.55 116.43 2km6 h SER 5 Ca -0.31 0.16 -0.05 0.00 -0.84 0.00 0.00 61.79 60.74 2km6 h SER 5 Cb 1.24 0.40 -0.03 0.00 0.14 0.00 0.00 62.40 64.15 2km6 h SER 5 CO 0.46 -0.28 0.25 -0.65 -1.14 0.00 0.00 176.83 175.47 2km6 h PRO 6 N -0.21 1.12 0.00 3.45 0.11 -1.99 -1.95 132.00 132.53 2km6 h PRO 6 Ca 0.16 -0.23 -0.12 0.00 0.11 0.00 0.00 66.00 65.92 2km6 h PRO 6 Cb 0.47 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.40 2km6 h PRO 6 CO -0.45 0.95 -0.58 1.96 -0.21 0.00 0.00 178.00 179.66 2km6 h GLN 7 N 1.07 0.00 0.14 1.05 7.50 -1.83 0.88 115.11 123.93 2km6 h GLN 7 Ca 0.24 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.38 2km6 h GLN 7 Cb 0.28 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.81 2km6 h GLN 7 CO -0.01 0.58 -0.07 1.25 -1.50 0.00 0.00 178.83 179.09 2km6 h LEU 8 N 0.00 -0.16 -1.35 1.46 7.12 0.16 0.13 115.31 122.68 2km6 h LEU 8 Ca -0.01 -0.19 -0.06 0.00 0.13 0.00 0.00 57.88 57.76 2km6 h LEU 8 Cb 1.16 0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 41.33 2km6 h LEU 8 CO 0.08 0.10 -0.29 -0.08 -0.13 0.00 0.00 178.44 178.12 2km6 h GLU 9 N -0.42 0.00 0.05 1.25 4.22 -1.22 -1.86 114.58 116.60 2km6 h GLU 9 Ca -0.02 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.42 2km6 h GLU 9 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2km6 h GLU 9 CO 0.03 0.29 -0.02 2.35 -2.18 0.00 0.00 179.01 179.48 2km6 h TRP 10 N 0.00 -0.06 -0.71 0.92 7.01 -0.42 0.23 115.95 122.93 2km6 h TRP 10 Ca -0.00 -0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.02 2km6 h TRP 10 Cb 0.64 0.02 -0.04 0.00 -2.10 0.00 0.00 29.16 27.67 2km6 h TRP 10 CO 0.00 0.09 0.46 1.15 -2.79 0.00 0.00 178.44 177.35 2km6 h THR 11 N -0.19 1.14 0.27 2.65 2.02 -0.45 0.12 112.91 118.47 2km6 h THR 11 Ca -0.01 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 2km6 h THR 11 Cb 0.17 0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 66.72 2km6 h THR 11 CO 0.01 0.17 -0.16 -0.07 0.37 0.00 0.00 175.52 175.84 2km6 h LEU 12 N 0.91 -0.40 -0.94 2.58 3.38 -1.19 -1.24 115.31 118.41 2km6 h LEU 12 Ca 0.27 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.23 2km6 h LEU 12 Cb -0.04 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 2km6 h LEU 12 CO -0.08 -0.26 0.31 0.06 0.09 0.00 0.00 178.44 178.55 2km6 h GLN 13 N -0.41 1.07 -0.41 1.13 3.07 -0.14 -0.00 115.11 119.42 2km6 h GLN 13 Ca -0.03 -0.18 -0.01 0.00 0.09 0.00 0.00 58.65 58.52 2km6 h GLN 13 Cb 0.34 -0.18 -0.02 0.00 0.08 0.00 0.00 27.48 27.70 2km6 h GLN 13 CO 0.03 0.86 0.21 1.15 0.09 0.00 0.00 178.83 181.17 2km6 h THR 14 N 1.05 1.17 -0.16 1.86 2.02 -0.53 0.41 112.91 118.73 2km6 h THR 14 Ca 0.25 -0.47 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 2km6 h THR 14 Cb 0.18 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 2km6 h THR 14 CO -0.02 0.18 0.06 -0.07 0.37 0.00 0.00 175.52 176.03 2km6 h LEU 15 N 0.52 0.23 -0.28 2.58 3.38 -0.82 -2.86 115.31 118.06 2km6 h LEU 15 Ca 0.14 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2km6 h LEU 15 Cb 0.10 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2km6 h LEU 15 CO -0.02 0.35 0.00 0.18 0.09 0.00 0.00 178.44 179.04 2km6 n LEU 16 N -4.85 0.59 -0.31 1.67 4.77 -0.05 -1.00 117.00 117.82 2km6 n LEU 16 Ca -0.05 0.60 0.14 0.00 -0.03 0.00 0.00 56.01 56.67 2km6 n LEU 16 Cb 0.13 -0.46 0.47 0.00 -2.33 0.00 0.00 43.42 41.24 2km6 n LEU 16 CO 0.35 -0.32 0.77 -0.62 -1.33 0.00 0.00 177.39 176.24 2km6 n GLU 17 N -2.10 1.13 -0.14 3.23 1.02 0.14 -3.82 120.64 120.11 2km6 n GLU 17 Ca 0.04 -0.62 -0.28 0.00 -0.02 0.00 0.00 57.16 56.27 2km6 n GLU 17 Cb 0.31 -1.49 -0.10 0.00 -0.02 0.00 0.00 31.44 30.15 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 -0.39 0.58 -3.55 3.49 6.02 -0.40 -4.86 117.38 118.28 2km6 n GLN 18 Ca 0.15 0.25 -0.39 0.00 -0.01 0.00 0.00 57.00 57.00 2km6 n GLN 18 Cb 0.34 -1.48 -0.11 0.00 1.02 0.00 0.00 30.24 30.01 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 -7.40 4.23 0.22 1.08 0.05 -0.17 -4.82 118.68 111.87 2km6 s LEU 19 Ca -0.38 -0.16 0.00 0.00 0.05 0.00 0.00 54.13 53.64 2km6 s LEU 19 Cb 0.14 -2.16 0.00 0.00 -2.05 0.00 0.00 46.19 42.13 2km6 s LEU 19 CO 0.49 -0.14 0.00 -0.46 -0.55 0.00 0.00 176.35 175.69 2km6 n ASN 20 N 5.11 -1.93 0.00 1.48 0.23 -1.26 -4.42 115.26 114.47 2km6 n ASN 20 Ca -0.13 0.47 0.00 0.00 -0.53 0.00 0.00 54.58 54.39 2km6 n ASN 20 Cb 0.51 2.02 0.00 0.00 -2.08 0.00 0.00 39.78 40.23 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 -2.94 0.00 0.00 -3.83 0.00 -1.26 -1.21 120.64 111.40 2km6 n GLU 21 Ca 0.00 0.66 0.09 0.00 0.00 0.00 0.00 57.16 57.91 2km6 n GLU 21 Cb 0.00 -1.39 -0.02 0.00 0.00 0.00 0.00 31.44 30.03 2km6 n GLU 21 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 2km6 n ASP 22 N -2.16 1.57 0.09 4.31 2.03 -1.26 -4.47 116.55 116.67 2km6 n ASP 22 Ca 0.00 -1.29 -0.22 0.00 0.52 0.00 0.00 54.79 53.80 2km6 n ASP 22 Cb 0.00 0.57 -0.15 0.00 -0.72 0.00 0.00 41.12 40.82 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 1.61 0.41 0.00 -0.67 4.39 -1.89 -3.28 114.58 115.15 2km6 h GLU 23 Ca 0.00 -0.70 -0.06 0.00 0.34 0.00 0.00 59.36 58.94 2km6 h GLU 23 Cb 0.57 0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 29.47 2km6 h GLU 23 CO 0.00 1.32 -0.29 1.25 -1.16 0.00 0.00 179.01 180.13 2km6 h LEU 24 N 0.11 0.00 -0.27 1.33 5.85 -1.38 -2.22 115.31 118.73 2km6 h LEU 24 Ca -0.30 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.44 2km6 h LEU 24 Cb 2.11 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 43.11 2km6 h LEU 24 CO 0.20 0.29 0.10 0.11 -0.34 0.00 0.00 178.44 178.80 2km6 h LYS 25 N 0.00 0.22 0.11 1.25 1.57 -1.75 0.50 116.57 118.46 2km6 h LYS 25 Ca -0.00 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2km6 h LYS 25 Cb 0.78 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.04 2km6 h LYS 25 CO 0.04 0.14 -0.05 0.77 -0.57 0.00 0.00 179.45 179.78 2km6 h SER 26 N 0.22 -0.12 -0.45 0.86 0.02 -1.63 -3.13 113.55 109.33 2km6 h SER 26 Ca 0.12 -0.30 0.09 0.00 -0.84 0.00 0.00 61.79 60.85 2km6 h SER 26 Cb 0.07 0.03 -0.08 0.00 0.14 0.00 0.00 62.40 62.57 2km6 h SER 26 CO -0.11 0.25 -0.06 0.15 -1.14 0.00 0.00 176.83 175.92 2km6 h PHE 27 N -0.51 -0.14 -0.32 3.45 3.04 -1.11 0.16 116.94 121.51 2km6 h PHE 27 Ca -0.01 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.98 2km6 h PHE 27 Cb 0.42 0.13 -0.02 0.00 2.56 0.00 0.00 35.95 39.04 2km6 h PHE 27 CO 0.04 -0.15 0.21 0.87 -2.02 0.00 0.00 178.31 177.26 2km6 h LYS 28 N 0.05 0.42 -0.08 1.11 1.57 -0.98 -1.51 116.57 117.15 2km6 h LYS 28 Ca 0.22 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.97 2km6 h LYS 28 Cb 0.33 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 2km6 h LYS 28 CO -0.42 0.28 0.04 0.77 -0.57 0.00 0.00 179.45 179.55 2km6 h SER 29 N 0.43 0.10 -0.76 0.86 0.02 -1.34 -2.51 113.55 110.35 2km6 h SER 29 Ca 0.12 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2km6 h SER 29 Cb -0.04 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.43 2km6 h SER 29 CO -0.03 0.18 0.48 -0.07 -1.14 0.00 0.00 176.83 176.25 2km6 h LEU 30 N 0.01 0.89 -0.26 5.07 3.38 -0.53 -1.38 115.31 122.49 2km6 h LEU 30 Ca 0.03 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2km6 h LEU 30 Cb 0.11 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.63 2km6 h LEU 30 CO -0.00 0.66 0.00 0.17 0.09 0.00 0.00 178.44 179.36 2km6 h LEU 31 N 1.04 0.00 0.00 1.67 8.10 -1.14 -2.26 115.31 122.72 2km6 h LEU 31 Ca 0.28 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.27 2km6 h LEU 31 Cb -0.09 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.13 2km6 h LEU 31 CO -0.06 0.00 -0.42 1.87 -4.11 0.00 0.00 178.44 175.73 2km6 n TRP 32 N -2.42 0.30 0.13 0.17 -0.00 -0.56 -3.76 117.44 111.30 2km6 n TRP 32 Ca 0.04 0.09 0.06 0.00 -0.00 0.00 0.00 57.50 57.69 2km6 n TRP 32 Cb 0.39 -0.51 0.03 0.00 -0.00 0.00 0.00 31.31 31.21 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 2.77 0.70 -2.24 5.87 0.00 -0.92 -3.46 119.26 121.98 2km6 h ALA 33 Ca 0.00 -0.35 -0.48 0.00 0.00 0.00 0.00 54.91 54.08 2km6 h ALA 33 Cb 0.62 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2km6 h ALA 33 CO 0.00 0.42 0.24 -0.59 0.00 0.00 0.00 179.25 179.32 2km6 s PHE 34 N -3.09 3.44 -0.38 0.00 -0.12 -1.23 -4.95 117.98 111.65 2km6 s PHE 34 Ca 0.02 1.29 -0.27 0.00 -0.05 0.00 0.00 56.93 57.92 2km6 s PHE 34 Cb 0.08 -2.63 -0.05 0.00 -0.63 0.00 0.00 43.02 39.79 2km6 s PHE 34 CO 0.75 -0.19 2.18 -1.25 -0.05 0.00 0.00 175.22 176.66 2km6 s PRO 35 N -3.78 2.74 0.07 1.99 0.04 -1.26 -4.85 135.00 129.95 2km6 s PRO 35 Ca 0.56 1.56 -0.26 0.00 0.04 0.00 0.00 61.00 62.90 2km6 s PRO 35 Cb -0.10 -4.42 -0.17 0.00 0.04 0.00 0.00 34.50 29.85 2km6 s PRO 35 CO 0.28 -2.55 1.63 -0.07 0.04 0.00 0.00 177.00 176.33 2km6 h LEU 36 N 16.60 -0.21 0.00 -3.56 3.38 -1.89 -3.49 115.31 126.15 2km6 h LEU 36 Ca -0.32 -0.05 0.22 0.00 0.09 0.00 0.00 57.88 57.81 2km6 h LEU 36 Cb 1.23 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.98 2km6 h LEU 36 CO 1.07 -0.08 -0.29 -0.62 0.09 0.00 0.00 178.44 178.61 2km6 n GLU 37 N -5.16 -1.61 0.00 1.13 1.02 -1.26 -4.34 120.64 110.41 2km6 n GLU 37 Ca -0.09 1.06 0.00 0.00 -0.02 0.00 0.00 57.16 58.11 2km6 n GLU 37 Cb 0.15 -1.96 0.00 0.00 -0.02 0.00 0.00 31.44 29.61 2km6 n GLU 37 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2km6 n ASP 38 N -3.38 0.00 -0.14 1.62 -0.08 -1.26 -0.17 116.55 113.14 2km6 n ASP 38 Ca 0.01 0.00 0.02 0.00 -1.51 0.00 0.00 54.79 53.30 2km6 n ASP 38 Cb 0.36 0.00 0.02 0.00 2.34 0.00 0.00 41.12 43.85 2km6 n ASP 38 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 2km6 n VAL 39 N 0.00 0.40 0.36 5.18 3.14 -1.26 -4.52 118.33 121.63 2km6 n VAL 39 Ca 0.00 -0.70 0.12 0.00 -2.96 0.00 0.00 64.34 60.80 2km6 n VAL 39 Cb 0.00 0.84 0.21 0.00 -1.06 0.00 0.00 33.84 33.83 2km6 n VAL 39 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 2km6 h LEU 40 N 0.57 0.00 -0.58 6.55 3.38 -0.76 -2.33 115.31 122.15 2km6 h LEU 40 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2km6 h LEU 40 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2km6 h LEU 40 CO 0.00 0.01 0.00 1.56 0.09 0.00 0.00 178.44 180.10 2km6 h GLN 41 N 0.00 0.00 -0.01 1.13 1.08 -1.73 -2.81 115.11 112.77 2km6 h GLN 41 Ca 0.00 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.04 2km6 h GLN 41 Cb 0.90 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.31 2km6 h GLN 41 CO 0.00 0.00 -0.74 -0.22 -0.95 0.00 0.00 178.83 176.92 2km6 h LYS 42 N 0.00 0.07 -5.67 1.46 3.64 -1.72 -3.46 116.57 110.89 2km6 h LYS 42 Ca 0.00 -0.06 -0.64 0.00 -1.27 0.00 0.00 60.65 58.68 2km6 h LYS 42 Cb 0.48 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.27 2km6 h LYS 42 CO 0.00 0.77 1.50 2.41 -2.27 0.00 0.00 179.45 181.87 2km6 n THR 43 N -3.70 0.04 -1.79 1.00 -1.04 -1.06 -4.83 114.28 102.89 2km6 n THR 43 Ca -0.02 -0.15 -0.40 0.00 -2.04 0.00 0.00 64.05 61.45 2km6 n THR 43 Cb 0.71 -1.03 -0.03 0.00 -1.82 0.00 0.00 70.33 68.16 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 7.15 2.75 0.44 -2.82 0.04 -1.26 -4.85 135.00 136.45 2km6 s PRO 44 Ca 1.20 1.35 0.13 0.00 0.04 0.00 0.00 61.00 63.72 2km6 s PRO 44 Cb -1.13 -4.40 0.99 0.00 0.04 0.00 0.00 34.50 30.01 2km6 s PRO 44 CO 0.53 -2.55 2.01 2.35 0.04 0.00 0.00 177.00 179.38 2km6 h TRP 45 N 15.87 0.10 0.00 0.56 2.91 -1.97 -1.51 115.95 131.91 2km6 h TRP 45 Ca -0.30 -0.01 -0.01 0.00 1.13 0.00 0.00 58.89 59.70 2km6 h TRP 45 Cb 1.21 -0.03 -0.00 0.00 -0.51 0.00 0.00 29.16 29.83 2km6 h TRP 45 CO 0.98 0.20 -0.03 0.77 -1.03 0.00 0.00 178.44 179.32 2km6 h SER 46 N 0.09 0.00 0.16 2.65 0.02 -2.00 0.32 113.55 114.80 2km6 h SER 46 Ca 0.02 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.75 2km6 h SER 46 Cb 0.24 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.80 2km6 h SER 46 CO 0.01 0.03 -0.99 -0.33 -1.14 0.00 0.00 176.83 174.41 2km6 h GLU 47 N 0.00 0.35 0.00 3.45 4.39 -1.69 -3.33 114.58 117.74 2km6 h GLU 47 Ca -0.00 -0.60 -0.05 0.00 0.34 0.00 0.00 59.36 59.05 2km6 h GLU 47 Cb 0.07 0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 2km6 h GLU 47 CO 0.00 1.29 -0.24 -0.39 -1.16 0.00 0.00 179.01 178.51 2km6 h VAL 48 N -0.26 1.06 0.09 3.13 -1.51 -0.59 -2.57 116.25 115.61 2km6 h VAL 48 Ca -0.18 -0.85 0.01 0.00 -1.23 0.00 0.00 66.70 64.46 2km6 h VAL 48 Cb 1.76 1.47 -0.02 0.00 -2.13 0.00 0.00 31.29 32.37 2km6 h VAL 48 CO 0.17 0.23 -0.17 -0.33 -1.23 0.00 0.00 177.57 176.24 2km6 h GLU 49 N 0.00 -0.32 -0.17 5.19 5.08 -0.53 -2.84 114.58 120.98 2km6 h GLU 49 Ca -0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2km6 h GLU 49 Cb 0.45 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2km6 h GLU 49 CO 0.03 -0.22 0.00 0.39 -1.00 0.00 0.00 179.01 178.22 2km6 n GLU 50 N -5.30 1.83 -3.70 2.33 1.02 -1.09 -4.82 120.64 110.91 2km6 n GLU 50 Ca -0.06 -1.25 -0.36 0.00 -0.02 0.00 0.00 57.16 55.46 2km6 n GLU 50 Cb 0.22 -1.42 -0.07 0.00 -0.02 0.00 0.00 31.44 30.15 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 -1.78 3.73 0.07 0.62 0.00 -0.99 -5.07 121.76 118.34 2km6 s ALA 51 Ca 0.33 -0.56 0.07 0.00 0.00 0.00 0.00 51.96 51.81 2km6 s ALA 51 Cb 0.18 -2.18 -0.03 0.00 0.00 0.00 0.00 23.12 21.09 2km6 s ALA 51 CO 0.28 0.34 -0.20 0.16 0.00 0.00 0.00 175.76 176.33 2km6 s ASP 52 N -0.26 2.40 0.41 0.00 1.47 -1.26 -4.60 116.67 114.82 2km6 s ASP 52 Ca 0.14 -0.60 0.00 0.00 1.18 0.00 0.00 52.55 53.28 2km6 s ASP 52 Cb -0.13 -0.16 0.00 0.00 -0.34 0.00 0.00 42.92 42.30 2km6 s ASP 52 CO 0.03 0.09 0.00 0.61 0.68 0.00 0.00 175.17 176.59 2km6 n GLY 53 N 1.47 1.20 0.35 2.12 0.00 -1.25 -0.54 105.19 108.55 2km6 n GLY 53 Ca -0.18 0.66 0.04 0.00 0.00 0.00 0.00 46.02 46.54 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 0.88 -0.26 1.61 3.11 -1.80 -1.25 116.57 118.86 2km6 h LYS 54 Ca 0.00 -0.05 -0.14 0.00 -2.81 0.00 0.00 60.65 57.65 2km6 h LYS 54 Cb 0.00 -0.20 -0.01 0.00 -1.00 0.00 0.00 32.23 31.02 2km6 h LYS 54 CO 0.00 0.58 -0.39 0.87 -2.81 0.00 0.00 179.45 177.70 2km6 h LYS 55 N 0.90 0.62 -0.67 1.90 1.79 -1.19 -2.33 116.57 117.59 2km6 h LYS 55 Ca 0.31 -0.31 -0.07 0.00 -2.18 0.00 0.00 60.65 58.41 2km6 h LYS 55 Cb 0.11 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.74 2km6 h LYS 55 CO -0.10 0.91 0.16 1.25 -1.08 0.00 0.00 179.45 180.58 2km6 h LEU 56 N 0.51 1.03 -1.23 2.94 5.85 -1.27 -2.00 115.31 121.14 2km6 h LEU 56 Ca 0.04 -0.24 0.06 0.00 0.84 0.00 0.00 57.88 58.59 2km6 h LEU 56 Cb 0.91 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.61 2km6 h LEU 56 CO 0.08 1.00 0.55 0.00 -0.34 0.00 0.00 178.44 179.73 2km6 h ALA 57 N 1.07 1.57 0.00 1.25 0.00 -1.18 0.10 119.26 122.08 2km6 h ALA 57 Ca 0.21 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 2km6 h ALA 57 Cb 0.38 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2km6 h ALA 57 CO 0.00 0.30 -0.27 1.49 0.00 0.00 0.00 179.25 180.78 2km6 h GLU 58 N 0.94 0.00 0.08 0.00 4.81 -0.84 -1.59 114.58 117.98 2km6 h GLU 58 Ca 0.36 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 59.29 2km6 h GLU 58 Cb 0.20 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 2km6 h GLU 58 CO -0.13 0.27 -1.52 0.82 -0.73 0.00 0.00 179.01 177.72 2km6 h ILE 59 N 0.00 1.14 -0.26 2.32 2.04 -0.50 -3.18 117.51 119.06 2km6 h ILE 59 Ca -0.00 -2.84 0.03 0.00 1.00 0.00 0.00 64.86 63.05 2km6 h ILE 59 Cb 0.85 2.69 -0.03 0.00 -0.74 0.00 0.00 36.82 39.59 2km6 h ILE 59 CO 0.03 0.78 0.06 -0.07 0.00 0.00 0.00 178.15 178.96 2km6 h LEU 60 N 0.05 0.04 0.00 1.44 -0.00 -0.41 -1.35 115.31 115.07 2km6 h LEU 60 Ca -0.23 0.04 0.00 0.00 -0.00 0.00 0.00 57.88 57.69 2km6 h LEU 60 Cb 1.98 0.04 0.00 0.00 -0.00 0.00 0.00 40.66 42.68 2km6 h LEU 60 CO 0.14 0.06 0.00 1.33 -0.00 0.00 0.00 178.44 179.96 2km6 n VAL 61 N -5.07 0.31 0.04 1.22 0.24 -0.64 -0.18 118.33 114.26 2km6 n VAL 61 Ca -0.01 0.08 -0.06 0.00 -2.04 0.00 0.00 64.34 62.31 2km6 n VAL 61 Cb 0.11 -0.77 -0.11 0.00 -1.47 0.00 0.00 33.84 31.60 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 0.00 0.00 -1.34 -1.24 -1.22 -3.40 115.58 108.38 2km6 h ASN 62 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2km6 h ASN 62 Cb 0.12 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.17 2km6 h ASN 62 CO 0.00 0.92 -0.99 0.35 -1.29 0.00 0.00 177.43 176.42 2km6 n THR 63 N -3.22 0.00 -3.29 -3.57 -2.24 -1.09 -5.03 114.28 95.83 2km6 n THR 63 Ca -0.05 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.34 2km6 n THR 63 Cb 0.95 -0.66 -0.06 0.00 -2.10 0.00 0.00 70.33 68.46 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 -3.66 6.97 0.19 3.42 0.01 0.75 -4.70 113.70 116.67 2km6 s SER 64 Ca 0.00 1.16 -0.32 0.00 1.31 0.00 0.00 55.95 58.10 2km6 s SER 64 Cb 0.00 -2.34 -0.11 0.00 0.21 0.00 0.00 66.02 63.78 2km6 s SER 64 CO 0.00 0.22 1.69 -0.55 0.41 0.00 0.00 173.24 175.01 2km6 s SER 65 N -0.72 6.44 0.40 2.44 0.15 -1.26 -4.25 113.70 116.90 2km6 s SER 65 Ca 0.28 2.78 0.17 0.00 0.70 0.00 0.00 55.95 59.89 2km6 s SER 65 Cb -0.18 -2.59 1.07 0.00 -1.71 0.00 0.00 66.02 62.60 2km6 s SER 65 CO 0.17 -0.94 1.82 1.05 1.20 0.00 0.00 173.24 176.54 2km6 h GLU 66 N 6.99 0.41 -0.04 5.44 4.11 -1.91 0.21 114.58 129.79 2km6 h GLU 66 Ca -0.43 -0.02 -0.16 0.00 0.07 0.00 0.00 59.36 58.82 2km6 h GLU 66 Cb 1.20 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 2km6 h GLU 66 CO 0.95 0.27 -0.68 -0.97 0.07 0.00 0.00 179.01 178.65 2km6 h ASN 67 N 0.42 0.24 1.03 3.06 -1.24 -1.98 -3.03 115.58 114.08 2km6 h ASN 67 Ca 0.52 -0.15 -0.19 0.00 0.71 0.00 0.00 56.30 57.19 2km6 h ASN 67 Cb 1.29 -0.07 -0.03 0.00 0.73 0.00 0.00 38.32 40.24 2km6 h ASN 67 CO -0.23 0.85 -0.89 -0.25 -1.29 0.00 0.00 177.43 175.62 2km6 h TRP 68 N 0.14 0.00 0.00 0.67 7.01 -1.03 -3.18 115.95 119.56 2km6 h TRP 68 Ca -0.02 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 60.97 2km6 h TRP 68 Cb 1.22 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 28.28 2km6 h TRP 68 CO 0.02 0.89 -0.06 0.82 -2.79 0.00 0.00 178.44 177.32 2km6 h ILE 69 N 0.00 0.32 0.00 2.65 2.04 -0.97 -1.71 117.51 119.84 2km6 h ILE 69 Ca -0.01 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 2km6 h ILE 69 Cb 1.64 1.25 -0.00 0.00 -0.74 0.00 0.00 36.82 38.97 2km6 h ILE 69 CO 0.12 0.06 -0.07 0.08 0.00 0.00 0.00 178.15 178.34 2km6 h ARG 70 N 0.00 0.00 0.06 2.37 0.11 -1.62 -0.94 114.38 114.36 2km6 h ARG 70 Ca -0.00 0.00 -0.37 0.00 0.10 0.00 0.00 59.98 59.71 2km6 h ARG 70 Cb 0.25 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.28 2km6 h ARG 70 CO 0.01 0.07 -2.17 -1.71 0.10 0.00 0.00 179.97 176.26 2km6 n ASN 71 N -3.45 1.83 0.28 0.08 5.15 -0.68 -4.28 115.26 114.19 2km6 n ASN 71 Ca -0.02 0.09 -0.15 0.00 -0.60 0.00 0.00 54.58 53.90 2km6 n ASN 71 Cb 0.20 -0.51 -0.08 0.00 -0.53 0.00 0.00 39.78 38.86 2km6 n ASN 71 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2km6 h ALA 72 N 0.19 -1.13 -0.38 5.20 0.00 -0.92 -1.09 119.26 121.13 2km6 h ALA 72 Ca -0.48 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.20 2km6 h ALA 72 Cb 2.00 0.59 -0.02 0.00 0.00 0.00 0.00 17.79 20.36 2km6 h ALA 72 CO 0.02 -1.13 -0.00 0.00 0.00 0.00 0.00 179.25 178.14 2km6 h THR 73 N -0.88 1.21 -0.28 0.00 1.03 -1.47 -2.49 112.91 110.03 2km6 h THR 73 Ca -0.07 -0.86 -0.01 0.00 -0.01 0.00 0.00 66.41 65.46 2km6 h THR 73 Cb 0.73 0.93 -0.01 0.00 -1.07 0.00 0.00 68.15 68.73 2km6 h THR 73 CO 0.01 0.30 0.14 0.58 -0.01 0.00 0.00 175.52 176.54 2km6 h VAL 74 N 0.58 1.14 -0.79 0.00 2.07 -1.71 -1.11 116.25 116.43 2km6 h VAL 74 Ca 0.12 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 2km6 h VAL 74 Cb 0.37 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 2km6 h VAL 74 CO 0.01 0.14 0.43 -1.13 0.02 0.00 0.00 177.57 177.05 2km6 h ASN 75 N 0.33 0.99 -0.54 0.57 -0.00 -0.78 -0.01 115.58 116.14 2km6 h ASN 75 Ca 0.10 -0.10 -0.07 0.00 -0.00 0.00 0.00 56.30 56.23 2km6 h ASN 75 Cb 0.10 -0.25 -0.02 0.00 -0.00 0.00 0.00 38.32 38.15 2km6 h ASN 75 CO -0.01 0.80 0.06 0.40 -0.00 0.00 0.00 177.43 178.68 2km6 h ILE 76 N 1.10 1.26 -0.75 2.57 1.08 -1.15 0.47 117.51 122.09 2km6 h ILE 76 Ca 0.28 -1.01 0.03 0.00 -0.39 0.00 0.00 64.86 63.77 2km6 h ILE 76 Cb 0.03 0.86 -0.05 0.00 -3.07 0.00 0.00 36.82 34.60 2km6 h ILE 76 CO -0.04 0.36 0.47 -0.07 -0.69 0.00 0.00 178.15 178.18 2km6 h LEU 77 N 0.79 0.77 -1.03 1.44 3.38 -0.67 -1.42 115.31 118.57 2km6 h LEU 77 Ca 0.16 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 2km6 h LEU 77 Cb 0.45 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 2km6 h LEU 77 CO 0.02 0.53 0.20 -0.33 0.09 0.00 0.00 178.44 178.94 2km6 h GLU 78 N 0.91 0.89 -0.26 1.13 5.08 -0.44 0.69 114.58 122.58 2km6 h GLU 78 Ca 0.30 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 2km6 h GLU 78 Cb 0.03 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 2km6 h GLU 78 CO -0.12 0.76 0.00 0.93 -1.00 0.00 0.00 179.01 179.59 2km6 h GLU 79 N 0.87 0.39 -0.12 2.33 4.39 -0.08 -2.31 114.58 120.05 2km6 h GLU 79 Ca 0.20 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.83 2km6 h GLU 79 Cb 0.23 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 2km6 h GLU 79 CO -0.01 0.42 0.00 -1.33 -1.16 0.00 0.00 179.01 176.93 2km6 n MET 80 N -4.33 1.72 -1.46 2.33 2.81 -0.61 -4.90 117.12 112.68 2km6 n MET 80 Ca 0.01 -1.08 -0.13 0.00 -1.81 0.00 0.00 57.70 54.68 2km6 n MET 80 Cb 0.21 -1.42 -0.05 0.00 -0.71 0.00 0.00 33.22 31.24 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 0.30 -4.59 -4.51 7.83 5.15 -0.87 -4.94 115.26 113.64 2km6 n ASN 81 Ca 0.17 0.31 -0.42 0.00 -0.60 0.00 0.00 54.58 54.04 2km6 n ASN 81 Cb 0.34 -3.32 -0.03 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 -3.13 4.05 -0.06 1.20 1.43 0.15 -4.81 118.68 117.51 2km6 s LEU 82 Ca 0.00 -1.36 -0.02 0.00 -1.03 0.00 0.00 54.13 51.72 2km6 s LEU 82 Cb 0.00 -2.49 -0.01 0.00 0.03 0.00 0.00 46.19 43.72 2km6 s LEU 82 CO 0.00 -1.43 -0.03 0.71 0.23 0.00 0.00 176.35 175.83 2km6 h THR 83 N 6.24 0.00 -0.21 5.49 1.35 -1.92 -3.34 112.91 120.52 2km6 h THR 83 Ca 0.02 -0.53 0.02 0.00 -0.55 0.00 0.00 66.41 65.36 2km6 h THR 83 Cb 1.03 0.00 -0.03 0.00 -1.73 0.00 0.00 68.15 67.43 2km6 h THR 83 CO 1.27 0.00 -0.13 -1.84 -0.25 0.00 0.00 175.52 174.57 2km6 n GLU 84 N -3.49 -0.09 0.19 4.72 0.28 -1.26 -0.30 120.64 120.69 2km6 n GLU 84 Ca -0.01 0.65 0.09 0.00 -0.16 0.00 0.00 57.16 57.73 2km6 n GLU 84 Cb 0.04 -0.97 0.12 0.00 1.43 0.00 0.00 31.44 32.07 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 -0.75 -1.84 -0.00 -2.00 -3.12 115.31 107.60 2km6 h LEU 85 Ca 0.03 0.00 -0.13 0.00 -0.00 0.00 0.00 57.88 57.78 2km6 h LEU 85 Cb 0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.74 2km6 h LEU 85 CO -0.20 0.17 -0.47 0.00 -0.00 0.00 0.00 178.44 177.94 2km6 h LYS 87 N 0.29 0.00 0.15 0.00 1.57 -0.60 0.19 116.57 118.18 2km6 h LYS 87 Ca 0.02 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.51 2km6 h LYS 87 Cb 0.94 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.26 2km6 h LYS 87 CO 0.08 0.10 -1.34 0.52 -0.57 0.00 0.00 179.45 178.23 2km6 h MET 88 N 0.00 0.31 -0.42 3.15 2.86 -1.22 -2.82 114.93 116.78 2km6 h MET 88 Ca -0.00 -0.53 -0.06 0.00 -2.06 0.00 0.00 59.70 57.05 2km6 h MET 88 Cb 0.41 0.20 -0.02 0.00 0.06 0.00 0.00 31.60 32.25 2km6 h MET 88 CO 0.01 1.23 0.02 0.00 1.06 0.00 0.00 176.91 179.24 2km6 h ALA 89 N 0.50 0.57 0.00 6.32 0.00 0.07 0.41 119.26 127.13 2km6 h ALA 89 Ca -0.18 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2km6 h ALA 89 Cb 2.01 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.64 2km6 h ALA 89 CO 0.21 0.33 0.00 0.87 0.00 0.00 0.00 179.25 180.66 2km6 h LYS 90 N 0.58 0.00 0.05 0.00 1.57 -0.75 0.29 116.57 118.31 2km6 h LYS 90 Ca 0.12 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.53 2km6 h LYS 90 Cb 0.45 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.72 2km6 h LYS 90 CO 0.02 0.00 -2.13 0.00 -0.57 0.00 0.00 179.45 176.76 2km6 n ALA 91 N -1.97 1.09 -0.12 3.86 0.00 -0.58 -4.48 120.51 118.32 2km6 n ALA 91 Ca -0.01 -0.81 -0.15 0.00 0.00 0.00 0.00 53.44 52.48 2km6 n ALA 91 Cb 0.16 -0.38 -0.13 0.00 0.00 0.00 0.00 19.45 19.10 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 -3.60 0.68 0.00 0.00 1.02 0.13 -4.47 120.64 114.40 2km6 n GLU 92 Ca -0.39 0.09 0.13 0.00 -0.02 0.00 0.00 57.16 56.97 2km6 n GLU 92 Cb 0.97 -1.51 0.45 0.00 -0.02 0.00 0.00 31.44 31.33 2km6 n GLU 92 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 2km6 n MET 93 N -3.06 0.64 -1.86 3.49 1.56 0.99 -4.77 117.12 114.11 2km6 n MET 93 Ca -0.40 -0.32 -0.30 0.00 -0.27 0.00 0.00 57.70 56.41 2km6 n MET 93 Cb 1.03 -1.49 0.16 0.00 2.15 0.00 0.00 33.22 35.07 2km6 n MET 93 CO 0.00 0.00 0.00 -1.64 -0.73 0.00 0.00 175.97 173.60 2km6 s MET 94 N -2.58 0.98 0.55 2.12 -1.94 -1.22 -4.79 119.30 112.42 2km6 s MET 94 Ca 0.24 -0.19 -0.17 0.00 -1.71 0.00 0.00 55.69 53.85 2km6 s MET 94 Cb 0.19 -1.87 -0.06 0.00 2.01 0.00 0.00 34.83 35.11 2km6 s MET 94 CO 0.53 -2.22 1.04 -2.00 -0.01 0.00 0.00 175.02 172.37 2km6 s GLU 95 N -5.74 3.55 0.12 2.03 2.12 -1.26 -4.44 118.70 115.08 2km6 s GLU 95 Ca 0.70 1.24 -0.31 0.00 0.36 0.00 0.00 54.97 56.96 2km6 s GLU 95 Cb -0.07 -2.06 -0.09 0.00 0.26 0.00 0.00 34.13 32.16 2km6 s GLU 95 CO 0.52 -0.63 1.67 -0.51 -0.54 0.00 0.00 175.26 175.77 2km6 s ASP 96 N -2.51 6.54 0.00 -1.70 1.01 -1.26 -3.00 116.67 115.76 2km6 s ASP 96 Ca 0.65 2.61 0.00 0.00 0.71 0.00 0.00 52.55 56.51 2km6 s ASP 96 Cb -0.16 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.20 2km6 s ASP 96 CO 0.30 -0.90 0.00 0.61 0.21 0.00 0.00 175.17 175.39 2km6 n GLY 97 N 3.98 1.32 0.00 0.21 0.00 -1.26 -5.07 105.19 104.37 2km6 n GLY 97 Ca 0.16 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.33 2km6 n GLY 97 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26