#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2km6 n THR 4 N 0.00 0.01 -0.12 1.12 -2.24 -1.26 -4.82 114.28 106.98 2km6 n THR 4 Ca 0.00 -0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.73 2km6 n THR 4 Cb 0.00 -1.37 0.03 0.00 -2.10 0.00 0.00 70.33 66.88 2km6 n THR 4 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 2km6 h SER 5 N 5.68 -0.15 -0.20 3.42 0.87 -2.05 0.13 113.55 121.26 2km6 h SER 5 Ca -0.46 0.09 0.06 0.00 -1.23 0.00 0.00 61.79 60.25 2km6 h SER 5 Cb 1.27 0.15 -0.07 0.00 -0.44 0.00 0.00 62.40 63.32 2km6 h SER 5 CO 0.86 -0.04 -0.25 1.55 -0.53 0.00 0.00 176.83 178.43 2km6 h PRO 6 N 0.11 -0.27 -0.11 2.24 0.13 -1.99 -1.13 132.00 130.98 2km6 h PRO 6 Ca 0.19 0.02 -0.12 0.00 -0.87 0.00 0.00 66.00 65.22 2km6 h PRO 6 Cb 0.27 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.45 2km6 h PRO 6 CO -0.31 -0.18 -0.45 1.96 -0.23 0.00 0.00 178.00 178.78 2km6 h GLN 7 N -0.28 0.25 0.52 0.86 7.50 -1.86 0.81 115.11 122.90 2km6 h GLN 7 Ca 0.12 -0.13 -0.02 0.00 0.50 0.00 0.00 58.65 59.12 2km6 h GLN 7 Cb 0.47 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.99 2km6 h GLN 7 CO -0.36 0.66 -0.41 1.25 -1.50 0.00 0.00 178.83 178.47 2km6 h LEU 8 N 0.21 -1.08 -0.88 1.46 6.46 -0.34 0.02 115.31 121.14 2km6 h LEU 8 Ca 0.01 0.08 -0.12 0.00 -0.12 0.00 0.00 57.88 57.73 2km6 h LEU 8 Cb 0.88 0.34 -0.01 0.00 -0.73 0.00 0.00 40.66 41.13 2km6 h LEU 8 CO 0.07 -0.58 -0.53 -0.08 -0.62 0.00 0.00 178.44 176.71 2km6 h GLU 9 N -0.90 0.09 -0.38 1.25 4.81 -1.18 -2.85 114.58 115.42 2km6 h GLU 9 Ca -0.07 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.10 2km6 h GLU 9 Cb 0.75 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.12 2km6 h GLU 9 CO 0.01 0.59 0.17 2.35 -0.73 0.00 0.00 179.01 181.40 2km6 h TRP 10 N 0.07 0.56 -0.78 0.92 7.01 -0.67 -1.21 115.95 121.85 2km6 h TRP 10 Ca -0.00 -0.03 0.01 0.00 2.11 0.00 0.00 58.89 60.98 2km6 h TRP 10 Cb 0.95 -0.17 -0.04 0.00 -2.10 0.00 0.00 29.16 27.80 2km6 h TRP 10 CO 0.01 0.48 0.51 1.15 -2.79 0.00 0.00 178.44 177.80 2km6 h THR 11 N 0.47 1.19 0.09 2.65 2.02 -0.75 0.22 112.91 118.79 2km6 h THR 11 Ca 0.13 -0.36 -0.00 0.00 0.77 0.00 0.00 66.41 66.95 2km6 h THR 11 Cb 0.14 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.61 2km6 h THR 11 CO -0.01 0.19 -0.04 -0.07 0.37 0.00 0.00 175.52 175.95 2km6 h LEU 12 N 1.04 -0.10 -0.67 2.58 3.38 -1.41 -2.47 115.31 117.66 2km6 h LEU 12 Ca 0.29 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 2km6 h LEU 12 Cb -0.10 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 2km6 h LEU 12 CO -0.07 0.03 0.36 0.06 0.09 0.00 0.00 178.44 178.91 2km6 h GLN 13 N -0.22 0.94 -0.84 1.13 3.07 -0.85 -2.03 115.11 116.32 2km6 h GLN 13 Ca -0.01 -0.12 0.05 0.00 0.09 0.00 0.00 58.65 58.66 2km6 h GLN 13 Cb 0.18 -0.18 -0.05 0.00 0.08 0.00 0.00 27.48 27.51 2km6 h GLN 13 CO 0.02 0.72 0.55 1.15 0.09 0.00 0.00 178.83 181.36 2km6 h THR 14 N 0.92 1.10 -0.12 1.86 2.02 -0.80 0.31 112.91 118.20 2km6 h THR 14 Ca 0.23 -0.34 -0.08 0.00 0.77 0.00 0.00 66.41 66.99 2km6 h THR 14 Cb 0.06 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.48 2km6 h THR 14 CO -0.04 0.18 -0.26 -0.07 0.37 0.00 0.00 175.52 175.71 2km6 h LEU 15 N 1.00 0.43 -0.09 2.58 3.38 -1.09 -3.16 115.31 118.36 2km6 h LEU 15 Ca 0.35 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2km6 h LEU 15 Cb 0.10 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2km6 h LEU 15 CO -0.11 0.92 0.00 0.18 0.09 0.00 0.00 178.44 179.52 2km6 n LEU 16 N -4.45 0.31 -0.24 1.67 4.77 -0.70 -1.03 117.00 117.33 2km6 n LEU 16 Ca -0.07 0.54 0.14 0.00 -0.03 0.00 0.00 56.01 56.59 2km6 n LEU 16 Cb 0.45 -0.46 0.49 0.00 -2.33 0.00 0.00 43.42 41.57 2km6 n LEU 16 CO 0.41 -0.17 0.77 -0.62 -1.33 0.00 0.00 177.39 176.45 2km6 n GLU 17 N -1.80 0.95 -0.09 3.23 1.02 1.00 -3.89 120.64 121.04 2km6 n GLU 17 Ca 0.05 -0.49 -0.18 0.00 -0.02 0.00 0.00 57.16 56.53 2km6 n GLU 17 Cb 0.32 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.19 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 -0.60 0.46 -3.19 3.49 6.02 -0.46 -4.89 117.38 118.21 2km6 n GLN 18 Ca 0.14 0.19 -0.40 0.00 -0.01 0.00 0.00 57.00 56.93 2km6 n GLN 18 Cb 0.32 -1.28 -0.07 0.00 1.02 0.00 0.00 30.24 30.23 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 -7.41 4.10 0.25 1.08 0.05 -0.19 -4.73 118.68 111.83 2km6 s LEU 19 Ca -0.28 0.67 0.00 0.00 0.05 0.00 0.00 54.13 54.57 2km6 s LEU 19 Cb 0.09 -2.76 0.00 0.00 -2.05 0.00 0.00 46.19 41.47 2km6 s LEU 19 CO 0.38 -0.27 0.00 -0.46 -0.55 0.00 0.00 176.35 175.45 2km6 n ASN 20 N 5.23 -2.22 -0.01 1.48 0.23 -1.26 -4.44 115.26 114.27 2km6 n ASN 20 Ca -0.03 0.62 -0.00 0.00 -0.53 0.00 0.00 54.58 54.64 2km6 n ASN 20 Cb 0.50 2.26 -0.00 0.00 -2.08 0.00 0.00 39.78 40.45 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 -3.10 -0.01 0.00 -3.83 4.07 -1.26 -0.63 120.64 115.88 2km6 n GLU 21 Ca 0.00 0.48 0.00 0.00 -0.06 0.00 0.00 57.16 57.58 2km6 n GLU 21 Cb 0.00 -0.71 0.00 0.00 -0.06 0.00 0.00 31.44 30.67 2km6 n GLU 21 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 2km6 n ASP 22 N -2.58 1.51 0.10 4.31 8.00 -1.26 -4.73 116.55 121.89 2km6 n ASP 22 Ca 0.00 -1.71 -0.24 0.00 0.71 0.00 0.00 54.79 53.56 2km6 n ASP 22 Cb 0.01 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 40.95 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 0.45 -0.07 -1.24 4.39 -1.58 -3.29 114.58 113.24 2km6 h GLU 23 Ca 0.00 -0.78 -0.10 0.00 0.34 0.00 0.00 59.36 58.83 2km6 h GLU 23 Cb 0.54 0.29 -0.01 0.00 -0.10 0.00 0.00 28.75 29.47 2km6 h GLU 23 CO 0.00 1.37 -0.39 1.25 -1.16 0.00 0.00 179.01 180.08 2km6 h LEU 24 N 0.12 0.16 -0.40 1.33 5.85 -1.12 -0.69 115.31 120.57 2km6 h LEU 24 Ca -0.31 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.37 2km6 h LEU 24 Cb 2.13 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 43.09 2km6 h LEU 24 CO 0.22 0.54 0.23 0.11 -0.34 0.00 0.00 178.44 179.20 2km6 h LYS 25 N 0.13 0.46 0.26 1.25 1.57 -1.75 0.16 116.57 118.66 2km6 h LYS 25 Ca 0.01 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2km6 h LYS 25 Cb 0.76 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.96 2km6 h LYS 25 CO 0.06 0.30 -0.12 0.77 -0.57 0.00 0.00 179.45 179.89 2km6 h SER 26 N 0.47 -0.30 -0.53 0.86 0.02 -1.47 -2.82 113.55 109.80 2km6 h SER 26 Ca 0.16 -0.11 0.10 0.00 -0.84 0.00 0.00 61.79 61.10 2km6 h SER 26 Cb 0.01 0.08 -0.08 0.00 0.14 0.00 0.00 62.40 62.54 2km6 h SER 26 CO -0.07 -0.07 0.04 0.15 -1.14 0.00 0.00 176.83 175.74 2km6 h PHE 27 N -0.52 0.05 -0.67 3.45 3.04 -0.67 0.78 116.94 122.40 2km6 h PHE 27 Ca -0.04 0.04 -0.03 0.00 3.98 0.00 0.00 57.97 61.92 2km6 h PHE 27 Cb 0.38 0.06 -0.03 0.00 2.56 0.00 0.00 35.95 38.92 2km6 h PHE 27 CO -0.01 -0.08 0.31 0.87 -2.02 0.00 0.00 178.31 177.38 2km6 h LYS 28 N 0.17 0.96 -0.16 1.11 1.57 -0.70 -2.24 116.57 117.28 2km6 h LYS 28 Ca 0.27 -0.13 -0.20 0.00 -1.87 0.00 0.00 60.65 58.71 2km6 h LYS 28 Cb 0.40 -0.18 0.01 0.00 0.08 0.00 0.00 32.23 32.54 2km6 h LYS 28 CO -0.41 0.75 -0.70 1.03 -0.57 0.00 0.00 179.45 179.56 2km6 h SER 29 N 0.96 0.89 0.11 0.86 0.87 -0.91 -2.83 113.55 113.49 2km6 h SER 29 Ca 0.23 -0.62 -0.10 0.00 -1.23 0.00 0.00 61.79 60.07 2km6 h SER 29 Cb 0.12 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 2km6 h SER 29 CO -0.03 1.36 -0.33 -0.07 -0.53 0.00 0.00 176.83 177.23 2km6 h LEU 30 N 0.47 0.33 0.00 2.23 3.38 -0.68 -0.84 115.31 120.19 2km6 h LEU 30 Ca -0.04 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2km6 h LEU 30 Cb 1.33 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.99 2km6 h LEU 30 CO 0.15 0.65 -0.09 0.00 0.09 0.00 0.00 178.44 179.24 2km6 n LEU 31 N -4.08 0.64 -0.02 1.67 -0.00 -0.86 -2.33 117.00 112.01 2km6 n LEU 31 Ca -0.01 0.50 0.11 0.00 -0.00 0.00 0.00 56.01 56.62 2km6 n LEU 31 Cb 0.43 -0.34 0.12 0.00 -0.00 0.00 0.00 43.42 43.64 2km6 n LEU 31 CO 0.41 -0.12 0.29 1.87 -0.00 0.00 0.00 177.39 179.84 2km6 n TRP 32 N -2.08 0.00 0.04 1.47 -0.00 -0.64 -4.06 117.44 112.17 2km6 n TRP 32 Ca 0.06 0.00 -0.09 0.00 -0.00 0.00 0.00 57.50 57.47 2km6 n TRP 32 Cb 0.41 -0.15 -0.13 0.00 -0.00 0.00 0.00 31.31 31.44 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 3.05 0.45 -2.32 5.87 0.00 -0.79 -3.45 119.26 122.08 2km6 h ALA 33 Ca 0.00 -1.10 -0.49 0.00 0.00 0.00 0.00 54.91 53.32 2km6 h ALA 33 Cb 0.51 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 2km6 h ALA 33 CO 0.00 1.32 0.12 -0.59 0.00 0.00 0.00 179.25 180.10 2km6 s PHE 34 N -2.66 3.40 -0.14 0.00 -0.12 -1.21 -4.99 117.98 112.26 2km6 s PHE 34 Ca -0.02 1.27 -0.29 0.00 -0.05 0.00 0.00 56.93 57.83 2km6 s PHE 34 Cb 0.09 -2.57 -0.05 0.00 -0.63 0.00 0.00 43.02 39.87 2km6 s PHE 34 CO 0.83 0.11 1.74 -1.25 -0.05 0.00 0.00 175.22 176.60 2km6 s PRO 35 N -2.88 3.87 0.54 1.99 0.04 -1.26 -4.97 135.00 132.34 2km6 s PRO 35 Ca 0.53 1.98 -0.19 0.00 0.04 0.00 0.00 61.00 63.36 2km6 s PRO 35 Cb -0.11 -4.08 -0.06 0.00 0.04 0.00 0.00 34.50 30.30 2km6 s PRO 35 CO 0.18 -1.22 1.07 -0.51 0.04 0.00 0.00 177.00 176.56 2km6 s LEU 36 N 5.13 3.70 0.00 -3.56 1.43 -1.26 -5.05 118.68 119.07 2km6 s LEU 36 Ca 0.77 1.98 0.04 0.00 -1.03 0.00 0.00 54.13 55.89 2km6 s LEU 36 Cb -0.30 -4.56 0.07 0.00 0.03 0.00 0.00 46.19 41.43 2km6 s LEU 36 CO 0.31 -1.07 0.58 -0.62 0.23 0.00 0.00 176.35 175.78 2km6 n GLU 37 N -1.43 0.53 -0.30 1.70 1.02 -1.26 -4.77 120.64 116.13 2km6 n GLU 37 Ca 0.10 -1.98 -0.12 0.00 -0.02 0.00 0.00 57.16 55.14 2km6 n GLU 37 Cb 0.52 -0.26 -0.10 0.00 -0.02 0.00 0.00 31.44 31.59 2km6 n GLU 37 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 2km6 h ASP 38 N -0.09 -2.04 0.67 1.62 3.58 -1.96 0.10 116.42 118.29 2km6 h ASP 38 Ca -0.19 0.29 -0.15 0.00 0.42 0.00 0.00 57.03 57.40 2km6 h ASP 38 Cb 0.82 0.88 -0.02 0.00 1.72 0.00 0.00 39.33 42.73 2km6 h ASP 38 CO 0.25 -0.30 -0.69 0.58 -2.88 0.00 0.00 179.24 176.19 2km6 h VAL 39 N -0.17 1.49 0.00 2.25 2.07 -1.95 -3.02 116.25 116.92 2km6 h VAL 39 Ca 0.12 -2.36 0.00 0.00 0.82 0.00 0.00 66.70 65.28 2km6 h VAL 39 Cb 0.49 2.27 0.00 0.00 -1.52 0.00 0.00 31.29 32.53 2km6 h VAL 39 CO -0.80 0.68 0.00 -0.07 0.02 0.00 0.00 177.57 177.40 2km6 h LEU 40 N 0.02 0.00 -7.95 2.57 -0.00 -1.51 -3.39 115.31 105.04 2km6 h LEU 40 Ca -0.01 0.00 -0.56 0.00 -0.00 0.00 0.00 57.88 57.32 2km6 h LEU 40 Cb 1.23 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 41.82 2km6 h LEU 40 CO 0.09 0.00 1.73 -1.10 -0.00 0.00 0.00 178.44 179.16 2km6 s GLN 41 N -3.36 3.46 0.00 1.13 -0.21 -0.11 -3.28 119.66 117.30 2km6 s GLN 41 Ca 0.05 -1.56 0.00 0.00 0.02 0.00 0.00 55.36 53.87 2km6 s GLN 41 Cb 0.09 -5.41 0.00 0.00 1.00 0.00 0.00 33.01 28.69 2km6 s GLN 41 CO 0.55 -2.77 0.00 1.17 -2.12 0.00 0.00 175.29 172.12 2km6 n LYS 42 N 8.46 0.00 -1.69 2.91 4.81 -1.26 -5.03 118.16 126.36 2km6 n LYS 42 Ca 0.45 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.89 2km6 n LYS 42 Cb 0.47 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.52 2km6 n LYS 42 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 2km6 n THR 43 N 0.00 -0.70 -1.54 3.15 -1.04 -1.21 -4.62 114.28 108.32 2km6 n THR 43 Ca 0.00 0.10 -0.39 0.00 -2.04 0.00 0.00 64.05 61.72 2km6 n THR 43 Cb 0.00 -1.37 -0.05 0.00 -1.82 0.00 0.00 70.33 67.09 2km6 n THR 43 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2km6 n PRO 44 N 1.46 1.05 0.10 -2.82 -0.04 -1.26 -4.82 135.00 128.67 2km6 n PRO 44 Ca 0.00 0.09 0.01 0.00 -0.04 0.00 0.00 63.50 63.56 2km6 n PRO 44 Cb 0.10 -3.12 0.33 0.00 -0.04 0.00 0.00 33.50 30.77 2km6 n PRO 44 CO 0.00 0.00 0.00 2.35 -0.04 0.00 0.00 175.50 177.81 2km6 h TRP 45 N 17.58 0.28 -0.94 0.54 2.91 -1.98 -0.74 115.95 133.59 2km6 h TRP 45 Ca -0.24 -0.04 0.02 0.00 1.13 0.00 0.00 58.89 59.75 2km6 h TRP 45 Cb 1.27 -0.07 -0.05 0.00 -0.51 0.00 0.00 29.16 29.80 2km6 h TRP 45 CO 0.97 0.46 0.62 0.77 -1.03 0.00 0.00 178.44 180.23 2km6 h SER 46 N 0.24 1.05 -0.20 2.65 0.02 -1.99 0.28 113.55 115.61 2km6 h SER 46 Ca 0.04 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 60.92 2km6 h SER 46 Cb 0.52 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 2km6 h SER 46 CO 0.03 0.75 -0.09 -0.33 -1.14 0.00 0.00 176.83 176.05 2km6 h GLU 47 N 1.24 0.41 -0.09 3.45 4.39 -1.75 -1.83 114.58 120.39 2km6 h GLU 47 Ca 0.36 -0.18 -0.02 0.00 0.34 0.00 0.00 59.36 59.86 2km6 h GLU 47 Cb -0.08 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 2km6 h GLU 47 CO -0.09 0.70 -0.03 -0.39 -1.16 0.00 0.00 179.01 178.04 2km6 h VAL 48 N 0.11 1.08 -0.08 3.13 -1.51 -0.13 0.61 116.25 119.45 2km6 h VAL 48 Ca 0.04 -0.32 -0.15 0.00 -1.23 0.00 0.00 66.70 65.04 2km6 h VAL 48 Cb 0.57 1.05 0.01 0.00 -2.13 0.00 0.00 31.29 30.79 2km6 h VAL 48 CO 0.03 0.10 -0.53 -0.33 -1.23 0.00 0.00 177.57 175.61 2km6 h GLU 49 N 0.12 0.50 0.00 5.19 4.39 -0.37 -3.10 114.58 121.30 2km6 h GLU 49 Ca 0.03 -0.43 0.00 0.00 0.34 0.00 0.00 59.36 59.30 2km6 h GLU 49 Cb 0.14 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 2km6 h GLU 49 CO 0.00 1.06 0.00 0.39 -1.16 0.00 0.00 179.01 179.31 2km6 n GLU 50 N -4.23 0.21 -3.25 2.33 1.02 -0.70 -4.74 120.64 111.29 2km6 n GLU 50 Ca -0.09 0.27 -0.38 0.00 -0.02 0.00 0.00 57.16 56.94 2km6 n GLU 50 Cb 0.62 -1.80 -0.06 0.00 -0.02 0.00 0.00 31.44 30.18 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 -3.16 3.57 0.03 0.62 0.00 0.15 -5.06 121.76 117.92 2km6 s ALA 51 Ca 0.09 0.05 0.03 0.00 0.00 0.00 0.00 51.96 52.13 2km6 s ALA 51 Cb 0.12 -2.66 -0.02 0.00 0.00 0.00 0.00 23.12 20.56 2km6 s ALA 51 CO 0.52 0.39 -0.09 0.16 0.00 0.00 0.00 175.76 176.74 2km6 s ASP 52 N -1.21 1.03 0.53 0.00 1.47 -1.26 -4.69 116.67 112.54 2km6 s ASP 52 Ca 0.31 -0.40 0.00 0.00 1.18 0.00 0.00 52.55 53.64 2km6 s ASP 52 Cb -0.19 -0.03 0.00 0.00 -0.34 0.00 0.00 42.92 42.36 2km6 s ASP 52 CO 0.20 -0.07 0.00 0.61 0.68 0.00 0.00 175.17 176.59 2km6 n GLY 53 N 1.97 1.10 0.28 2.12 0.00 -1.25 -0.81 105.19 108.61 2km6 n GLY 53 Ca -0.19 0.66 -0.02 0.00 0.00 0.00 0.00 46.02 46.47 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 0.85 -0.07 1.61 3.64 -1.80 -1.76 116.57 119.03 2km6 h LYS 54 Ca 0.00 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.27 2km6 h LYS 54 Cb 0.00 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.62 2km6 h LYS 54 CO 0.00 0.56 -0.21 0.87 -2.27 0.00 0.00 179.45 178.40 2km6 h LYS 55 N 0.88 0.12 -0.32 1.90 1.79 -1.35 -1.79 116.57 117.79 2km6 h LYS 55 Ca 0.30 -0.03 -0.16 0.00 -2.18 0.00 0.00 60.65 58.57 2km6 h LYS 55 Cb 0.06 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.69 2km6 h LYS 55 CO -0.13 0.34 -0.45 1.25 -1.08 0.00 0.00 179.45 179.38 2km6 h LEU 56 N 0.12 0.92 -1.32 2.94 5.85 -1.39 -2.80 115.31 119.62 2km6 h LEU 56 Ca 0.02 -0.45 0.04 0.00 0.84 0.00 0.00 57.88 58.33 2km6 h LEU 56 Cb 0.44 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 2km6 h LEU 56 CO 0.03 1.22 0.48 0.00 -0.34 0.00 0.00 178.44 179.84 2km6 h ALA 57 N 0.81 1.58 -0.06 1.25 0.00 -1.02 0.16 119.26 121.98 2km6 h ALA 57 Ca 0.04 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2km6 h ALA 57 Cb 1.03 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2km6 h ALA 57 CO 0.10 0.34 -0.21 1.49 0.00 0.00 0.00 179.25 180.98 2km6 h GLU 58 N 0.88 0.10 0.14 0.00 4.81 -1.17 -0.32 114.58 119.01 2km6 h GLU 58 Ca 0.29 -0.02 -0.30 0.00 -0.13 0.00 0.00 59.36 59.19 2km6 h GLU 58 Cb 0.06 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.43 2km6 h GLU 58 CO -0.08 0.31 -1.46 0.82 -0.73 0.00 0.00 179.01 177.86 2km6 h ILE 59 N 0.09 1.24 -0.69 2.32 2.04 -0.91 -2.69 117.51 118.91 2km6 h ILE 59 Ca 0.02 -2.84 -0.01 0.00 1.00 0.00 0.00 64.86 63.03 2km6 h ILE 59 Cb 0.43 2.83 -0.03 0.00 -0.74 0.00 0.00 36.82 39.31 2km6 h ILE 59 CO 0.03 0.84 0.40 -0.07 0.00 0.00 0.00 178.15 179.35 2km6 h LEU 60 N 0.08 0.84 -0.15 1.44 -0.00 -0.52 -1.83 115.31 115.16 2km6 h LEU 60 Ca -0.22 -0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.59 2km6 h LEU 60 Cb 2.02 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 42.47 2km6 h LEU 60 CO 0.18 0.67 -0.02 0.55 -0.00 0.00 0.00 178.44 179.82 2km6 n VAL 61 N -4.54 0.00 0.01 1.22 3.14 -0.18 -0.73 118.33 117.26 2km6 n VAL 61 Ca 0.06 -0.04 -0.18 0.00 -2.96 0.00 0.00 64.34 61.22 2km6 n VAL 61 Cb 0.07 -0.31 -0.13 0.00 -1.06 0.00 0.00 33.84 32.41 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 0.37 0.40 0.00 6.55 -0.73 -0.98 -3.40 115.58 117.79 2km6 h ASN 62 Ca 0.00 -0.86 -0.29 0.00 1.87 0.00 0.00 56.30 57.02 2km6 h ASN 62 Cb 0.18 -0.13 -0.05 0.00 0.27 0.00 0.00 38.32 38.59 2km6 h ASN 62 CO 0.00 1.22 -2.08 0.35 -0.37 0.00 0.00 177.43 176.55 2km6 n THR 63 N -4.27 1.09 -3.77 -3.57 -2.24 -1.16 -5.00 114.28 95.36 2km6 n THR 63 Ca -0.12 -0.55 -0.37 0.00 -2.27 0.00 0.00 64.05 60.74 2km6 n THR 63 Cb 0.68 -0.86 -0.06 0.00 -2.10 0.00 0.00 70.33 67.99 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 -5.34 6.51 0.46 3.42 0.01 0.09 -4.79 113.70 114.07 2km6 s SER 64 Ca -0.16 0.61 -0.21 0.00 1.31 0.00 0.00 55.95 57.50 2km6 s SER 64 Cb 0.06 -2.12 -0.09 0.00 0.21 0.00 0.00 66.02 64.08 2km6 s SER 64 CO 0.55 0.38 1.03 -0.55 0.41 0.00 0.00 173.24 175.06 2km6 s SER 65 N -1.08 6.46 0.43 2.44 0.15 -1.26 -4.46 113.70 116.39 2km6 s SER 65 Ca 0.18 1.93 0.10 0.00 0.70 0.00 0.00 55.95 58.86 2km6 s SER 65 Cb -0.13 -2.56 0.96 0.00 -1.71 0.00 0.00 66.02 62.58 2km6 s SER 65 CO 0.07 -0.70 2.06 1.05 1.20 0.00 0.00 173.24 176.93 2km6 h GLU 66 N 1.77 0.42 0.00 5.44 4.11 -1.96 0.12 114.58 124.48 2km6 h GLU 66 Ca -0.49 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 58.91 2km6 h GLU 66 Cb 1.22 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.37 2km6 h GLU 66 CO 0.60 0.28 0.00 -1.71 0.07 0.00 0.00 179.01 178.25 2km6 n ASN 67 N -4.48 0.59 -0.10 3.06 5.15 -1.26 -1.14 115.26 117.07 2km6 n ASN 67 Ca 0.03 0.63 -0.23 0.00 -0.60 0.00 0.00 54.58 54.41 2km6 n ASN 67 Cb 0.12 -0.76 -0.12 0.00 -0.53 0.00 0.00 39.78 38.50 2km6 n ASN 67 CO 0.00 0.00 0.00 1.87 1.40 0.00 0.00 177.26 180.53 2km6 n TRP 68 N -2.13 0.43 -0.08 1.20 -0.00 0.13 -4.36 117.44 112.64 2km6 n TRP 68 Ca 0.03 0.13 0.04 0.00 -0.00 0.00 0.00 57.50 57.70 2km6 n TRP 68 Cb 0.26 -1.05 0.38 0.00 -0.00 0.00 0.00 31.31 30.90 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 -0.46 1.10 -0.01 5.87 2.04 -0.46 -0.51 117.51 125.08 2km6 h ILE 69 Ca -0.55 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.08 2km6 h ILE 69 Cb 1.74 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 38.18 2km6 h ILE 69 CO -0.18 0.12 0.10 0.08 0.00 0.00 0.00 178.15 178.27 2km6 h ARG 70 N 0.68 0.00 0.00 2.37 0.11 -1.33 -0.18 114.38 116.03 2km6 h ARG 70 Ca 0.21 0.00 -0.37 0.00 0.10 0.00 0.00 59.98 59.92 2km6 h ARG 70 Cb 0.01 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.03 2km6 h ARG 70 CO -0.05 0.00 -2.32 -1.71 0.10 0.00 0.00 179.97 175.99 2km6 n ASN 71 N -3.10 2.00 0.17 0.08 5.15 -0.54 -4.44 115.26 114.58 2km6 n ASN 71 Ca -0.02 0.07 -0.14 0.00 -0.60 0.00 0.00 54.58 53.88 2km6 n ASN 71 Cb 0.16 -0.52 -0.08 0.00 -0.53 0.00 0.00 39.78 38.81 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 -0.40 -1.01 -0.24 5.20 0.00 -0.38 0.13 119.26 122.56 2km6 h ALA 72 Ca -0.56 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.13 2km6 h ALA 72 Cb 1.67 0.74 -0.01 0.00 0.00 0.00 0.00 17.79 20.19 2km6 h ALA 72 CO -0.21 -1.08 -0.25 0.00 0.00 0.00 0.00 179.25 177.71 2km6 h THR 73 N -0.74 1.26 -0.18 0.00 1.03 -1.33 -0.89 112.91 112.06 2km6 h THR 73 Ca -0.03 -1.25 -0.02 0.00 -0.01 0.00 0.00 66.41 65.11 2km6 h THR 73 Cb 0.68 1.35 -0.01 0.00 -1.07 0.00 0.00 68.15 69.10 2km6 h THR 73 CO -0.14 0.39 0.04 0.58 -0.01 0.00 0.00 175.52 176.38 2km6 h VAL 74 N 0.41 1.21 -0.22 0.00 2.07 -1.67 -0.41 116.25 117.63 2km6 h VAL 74 Ca 0.06 -0.67 0.03 0.00 0.82 0.00 0.00 66.70 66.94 2km6 h VAL 74 Cb 0.65 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 2km6 h VAL 74 CO 0.05 0.21 0.05 0.78 0.02 0.00 0.00 177.57 178.67 2km6 h ASN 75 N 0.11 0.02 -0.71 0.57 4.21 -0.34 0.57 115.58 120.01 2km6 h ASN 75 Ca 0.06 0.03 -0.01 0.00 1.21 0.00 0.00 56.30 57.59 2km6 h ASN 75 Cb 0.28 0.04 -0.03 0.00 -1.12 0.00 0.00 38.32 37.48 2km6 h ASN 75 CO 0.00 0.04 0.39 0.40 -1.29 0.00 0.00 177.43 176.98 2km6 h ILE 76 N 0.14 1.22 -0.42 2.81 1.08 -0.97 0.44 117.51 121.81 2km6 h ILE 76 Ca 0.10 -0.53 0.04 0.00 -0.39 0.00 0.00 64.86 64.07 2km6 h ILE 76 Cb 0.09 0.28 -0.04 0.00 -3.07 0.00 0.00 36.82 34.09 2km6 h ILE 76 CO -0.13 0.24 0.19 -0.07 -0.69 0.00 0.00 178.15 177.69 2km6 h LEU 77 N 0.97 0.27 -1.10 1.44 3.38 -0.76 -1.15 115.31 118.35 2km6 h LEU 77 Ca 0.25 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.20 2km6 h LEU 77 Cb 0.03 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2km6 h LEU 77 CO -0.04 0.19 0.07 -0.33 0.09 0.00 0.00 178.44 178.42 2km6 h GLU 78 N 0.39 0.70 -0.42 1.13 5.08 0.05 0.12 114.58 121.64 2km6 h GLU 78 Ca 0.18 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2km6 h GLU 78 Cb 0.11 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 2km6 h GLU 78 CO -0.14 0.67 0.16 0.93 -1.00 0.00 0.00 179.01 179.62 2km6 h GLU 79 N 0.67 0.60 -0.00 2.33 4.39 0.57 -0.05 114.58 123.09 2km6 h GLU 79 Ca 0.15 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.76 2km6 h GLU 79 Cb 0.32 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 2km6 h GLU 79 CO 0.00 0.50 -0.01 -1.33 -1.16 0.00 0.00 179.01 177.02 2km6 n MET 80 N -4.36 1.14 -2.22 2.33 2.81 -0.50 -4.88 117.12 111.44 2km6 n MET 80 Ca 0.03 -0.28 -0.15 0.00 -1.81 0.00 0.00 57.70 55.49 2km6 n MET 80 Cb 0.15 -1.49 -0.01 0.00 -0.71 0.00 0.00 33.22 31.16 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 -0.68 -4.48 -4.64 7.83 5.15 -0.03 -4.97 115.26 113.43 2km6 n ASN 81 Ca 0.22 0.01 -0.41 0.00 -0.60 0.00 0.00 54.58 53.80 2km6 n ASN 81 Cb 0.19 -3.61 -0.05 0.00 -0.53 0.00 0.00 39.78 35.78 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 -4.16 4.08 -0.10 1.20 1.43 0.34 -4.88 118.68 116.59 2km6 s LEU 82 Ca 0.00 0.89 -0.05 0.00 -1.03 0.00 0.00 54.13 53.94 2km6 s LEU 82 Cb 0.00 -3.03 -0.05 0.00 0.03 0.00 0.00 46.19 43.14 2km6 s LEU 82 CO 0.00 -0.44 -0.13 0.35 0.23 0.00 0.00 176.35 176.36 2km6 n THR 83 N 5.19 0.56 -0.08 5.49 -2.24 -1.26 -3.98 114.28 117.96 2km6 n THR 83 Ca 0.03 -0.15 -0.07 0.00 -2.27 0.00 0.00 64.05 61.59 2km6 n THR 83 Cb 0.48 -1.58 -0.05 0.00 -2.10 0.00 0.00 70.33 67.08 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 -0.34 -0.20 0.00 -0.78 9.09 -1.99 0.43 114.58 120.79 2km6 h GLU 84 Ca -0.26 0.01 -0.03 0.00 0.05 0.00 0.00 59.36 59.13 2km6 h GLU 84 Cb 1.23 0.05 -0.00 0.00 -1.65 0.00 0.00 28.75 28.37 2km6 h GLU 84 CO -0.15 -0.13 -0.15 1.37 0.05 0.00 0.00 179.01 180.00 2km6 h LEU 85 N -0.21 0.00 -0.83 3.06 -0.00 -2.00 -3.11 115.31 112.22 2km6 h LEU 85 Ca 0.04 0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 57.80 2km6 h LEU 85 Cb 0.31 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.96 2km6 h LEU 85 CO -0.32 0.15 -0.41 0.00 -0.00 0.00 0.00 178.44 177.86 2km6 n LYS 87 N -4.02 0.05 0.09 0.00 5.02 0.14 -1.13 118.16 118.30 2km6 n LYS 87 Ca -0.02 0.17 -0.23 0.00 -2.02 0.00 0.00 58.31 56.21 2km6 n LYS 87 Cb 0.50 -1.58 -0.15 0.00 -0.02 0.00 0.00 35.03 33.78 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 0.42 -0.70 1.97 2.86 -1.16 -3.21 114.93 115.11 2km6 h MET 88 Ca 0.00 -0.71 0.01 0.00 -2.06 0.00 0.00 59.70 56.94 2km6 h MET 88 Cb 0.41 0.27 -0.04 0.00 0.06 0.00 0.00 31.60 32.30 2km6 h MET 88 CO 0.00 1.34 0.46 0.00 1.06 0.00 0.00 176.91 179.77 2km6 h ALA 89 N 0.10 0.89 0.00 6.32 0.00 -0.37 0.15 119.26 126.36 2km6 h ALA 89 Ca -0.29 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2km6 h ALA 89 Cb 2.04 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.55 2km6 h ALA 89 CO 0.19 0.29 0.00 1.63 0.00 0.00 0.00 179.25 181.36 2km6 n LYS 90 N -4.61 0.33 -0.00 0.00 5.02 -0.28 -0.52 118.16 118.09 2km6 n LYS 90 Ca 0.06 0.09 0.01 0.00 -2.02 0.00 0.00 58.31 56.46 2km6 n LYS 90 Cb 0.03 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.52 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 -1.19 2.32 0.00 7.82 0.00 -0.23 -3.10 120.51 126.14 2km6 n ALA 91 Ca 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2km6 n ALA 91 Cb 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.44 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 -1.22 0.00 0.11 0.00 -0.58 -0.13 -4.71 120.64 114.11 2km6 n GLU 92 Ca 0.00 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.86 2km6 n GLU 92 Cb 0.06 -0.77 0.16 0.00 -0.57 0.00 0.00 31.44 30.31 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 0.00 0.00 -3.43 3.49 2.86 -1.01 -3.47 114.93 113.38 2km6 h MET 93 Ca 0.00 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 2km6 h MET 93 Cb 0.85 0.00 -0.12 0.00 0.06 0.00 0.00 31.60 32.39 2km6 h MET 93 CO 0.00 0.00 -0.08 0.00 1.06 0.00 0.00 176.91 177.89 2km6 s MET 94 N -3.22 1.12 -0.49 1.72 0.23 -1.16 -4.92 119.30 112.58 2km6 s MET 94 Ca 0.05 -0.78 0.08 0.00 -1.03 0.00 0.00 55.69 54.01 2km6 s MET 94 Cb 0.11 0.47 0.36 0.00 -1.53 0.00 0.00 34.83 34.24 2km6 s MET 94 CO 0.71 -0.44 0.92 -1.91 -2.03 0.00 0.00 175.02 172.28 2km6 n GLU 95 N -0.24 2.57 -3.68 3.16 4.07 -1.25 -2.79 120.64 122.47 2km6 n GLU 95 Ca -0.14 -4.33 -0.30 0.00 -0.06 0.00 0.00 57.16 52.33 2km6 n GLU 95 Cb 0.63 -2.04 -0.14 0.00 -0.06 0.00 0.00 31.44 29.84 2km6 n GLU 95 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 2km6 s ASP 96 N -3.21 3.73 -1.24 4.31 1.01 -1.18 -5.01 116.67 115.09 2km6 s ASP 96 Ca 0.45 -2.07 -0.10 0.00 0.71 0.00 0.00 52.55 51.55 2km6 s ASP 96 Cb 0.33 -0.85 0.19 0.00 1.01 0.00 0.00 42.92 43.60 2km6 s ASP 96 CO -0.12 -0.35 1.71 0.61 0.21 0.00 0.00 175.17 177.23 2km6 n GLY 97 N 4.27 4.51 0.27 0.21 0.00 -1.26 -4.93 105.19 108.25 2km6 n GLY 97 Ca 0.04 -2.17 0.15 0.00 0.00 0.00 0.00 46.02 44.04 2km6 n GLY 97 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26