#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 0.00 0.02 2.03 -2.24 -1.26 -4.03 114.28 108.80 2km6 n THR 4 Ca 0.00 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 2km6 n THR 4 Cb 0.00 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 67.84 2km6 n THR 4 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2km6 n SER 5 N -3.46 0.40 0.11 3.42 2.88 -1.26 -4.51 113.62 111.19 2km6 n SER 5 Ca 0.01 0.06 -0.13 0.00 -1.33 0.00 0.00 58.87 57.47 2km6 n SER 5 Cb 0.50 -0.11 -0.08 0.00 -0.75 0.00 0.00 64.21 63.76 2km6 n SER 5 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2km6 h PRO 6 N 0.00 -0.26 0.00 -1.46 0.11 -2.00 -1.90 132.00 126.49 2km6 h PRO 6 Ca 0.00 0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.07 2km6 h PRO 6 Cb 0.61 0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.77 2km6 h PRO 6 CO 0.00 0.02 -0.28 1.96 -0.21 0.00 0.00 178.00 179.49 2km6 h GLN 7 N -0.54 0.00 0.96 1.05 7.50 -1.89 0.86 115.11 123.05 2km6 h GLN 7 Ca -0.03 0.00 -0.05 0.00 0.50 0.00 0.00 58.65 59.08 2km6 h GLN 7 Cb 0.40 0.00 0.01 0.00 0.05 0.00 0.00 27.48 27.94 2km6 h GLN 7 CO 0.05 0.28 -0.49 1.25 -1.50 0.00 0.00 178.83 178.41 2km6 h LEU 8 N 0.00 -1.19 -1.01 1.46 7.12 -1.67 0.20 115.31 120.22 2km6 h LEU 8 Ca -0.00 0.05 -0.06 0.00 0.13 0.00 0.00 57.88 58.00 2km6 h LEU 8 Cb 0.50 0.32 -0.02 0.00 -0.53 0.00 0.00 40.66 40.93 2km6 h LEU 8 CO 0.04 -0.81 0.08 -0.08 -0.13 0.00 0.00 178.44 177.53 2km6 h GLU 9 N -1.33 0.79 -0.69 1.25 4.81 -1.07 -1.89 114.58 116.45 2km6 h GLU 9 Ca -0.13 -0.18 0.02 0.00 -0.13 0.00 0.00 59.36 58.94 2km6 h GLU 9 Cb 1.03 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 30.26 2km6 h GLU 9 CO 0.20 0.74 0.44 2.35 -0.73 0.00 0.00 179.01 182.01 2km6 h TRP 10 N 0.75 0.84 -0.62 0.92 7.01 -0.68 -0.88 115.95 123.29 2km6 h TRP 10 Ca 0.16 0.02 -0.09 0.00 2.11 0.00 0.00 58.89 61.09 2km6 h TRP 10 Cb 0.35 -0.28 -0.02 0.00 -2.10 0.00 0.00 29.16 27.10 2km6 h TRP 10 CO 0.02 0.51 0.03 1.15 -2.79 0.00 0.00 178.44 177.35 2km6 h THR 11 N 0.89 1.27 0.17 2.65 2.02 0.21 -0.33 112.91 119.79 2km6 h THR 11 Ca 0.26 -1.12 -0.01 0.00 0.77 0.00 0.00 66.41 66.31 2km6 h THR 11 Cb -0.05 0.77 -0.00 0.00 -1.74 0.00 0.00 68.15 67.12 2km6 h THR 11 CO -0.08 0.41 -0.11 -0.07 0.37 0.00 0.00 175.52 176.05 2km6 h LEU 12 N 0.98 -0.26 -0.54 2.58 3.38 -1.14 -2.59 115.31 117.72 2km6 h LEU 12 Ca 0.18 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2km6 h LEU 12 Cb 0.53 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 2km6 h LEU 12 CO 0.03 -0.17 0.34 0.06 0.09 0.00 0.00 178.44 178.79 2km6 h GLN 13 N -0.27 0.72 -0.50 1.13 3.07 -0.90 -2.19 115.11 116.16 2km6 h GLN 13 Ca -0.02 -0.05 0.06 0.00 0.09 0.00 0.00 58.65 58.73 2km6 h GLN 13 Cb 0.23 -0.16 -0.03 0.00 0.08 0.00 0.00 27.48 27.60 2km6 h GLN 13 CO 0.02 0.49 0.34 1.15 0.09 0.00 0.00 178.83 180.92 2km6 h THR 14 N 0.73 0.98 -0.08 1.86 2.02 -0.89 0.56 112.91 118.10 2km6 h THR 14 Ca 0.20 -0.16 -0.09 0.00 0.77 0.00 0.00 66.41 67.13 2km6 h THR 14 Cb -0.05 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 2km6 h THR 14 CO -0.04 0.08 -0.29 -0.07 0.37 0.00 0.00 175.52 175.57 2km6 h LEU 15 N 0.45 0.39 -0.23 2.58 3.38 -1.06 -2.94 115.31 117.88 2km6 h LEU 15 Ca 0.22 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.56 2km6 h LEU 15 Cb 0.28 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2km6 h LEU 15 CO -0.06 0.95 0.00 0.18 0.09 0.00 0.00 178.44 179.60 2km6 n LEU 16 N -4.45 0.61 0.14 1.67 4.77 -0.27 -0.67 117.00 118.80 2km6 n LEU 16 Ca -0.08 0.59 0.12 0.00 -0.03 0.00 0.00 56.01 56.61 2km6 n LEU 16 Cb 0.48 -0.44 0.12 0.00 -2.33 0.00 0.00 43.42 41.25 2km6 n LEU 16 CO 0.41 -0.29 0.41 -0.33 -1.33 0.00 0.00 177.39 176.27 2km6 h GLU 17 N 0.00 0.00 0.11 3.23 5.08 0.04 -3.15 114.58 119.89 2km6 h GLU 17 Ca 0.00 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.01 2km6 h GLU 17 Cb 0.56 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 2km6 h GLU 17 CO 0.00 0.00 -1.91 1.04 -1.00 0.00 0.00 179.01 177.14 2km6 n GLN 18 N -2.69 0.74 -3.92 2.33 6.02 -0.50 -4.81 117.38 114.56 2km6 n GLN 18 Ca 0.02 0.30 -0.36 0.00 -0.01 0.00 0.00 57.00 56.96 2km6 n GLN 18 Cb 0.51 -1.72 -0.12 0.00 1.02 0.00 0.00 30.24 29.94 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 -7.15 3.41 0.20 1.08 0.05 0.15 -4.88 118.68 111.55 2km6 s LEU 19 Ca -0.23 -0.17 0.00 0.00 0.05 0.00 0.00 54.13 53.78 2km6 s LEU 19 Cb 0.06 -1.89 0.00 0.00 -2.05 0.00 0.00 46.19 42.32 2km6 s LEU 19 CO 0.75 0.03 0.00 -0.46 -0.55 0.00 0.00 176.35 176.12 2km6 n ASN 20 N 4.46 -1.81 0.00 1.48 0.23 -1.26 -4.42 115.26 113.95 2km6 n ASN 20 Ca -0.17 0.52 0.00 0.00 -0.53 0.00 0.00 54.58 54.41 2km6 n ASN 20 Cb 0.52 1.90 0.00 0.00 -2.08 0.00 0.00 39.78 40.12 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 -2.91 0.00 -0.05 -3.83 4.07 -1.26 -0.31 120.64 116.36 2km6 n GLU 21 Ca 0.00 0.73 0.04 0.00 -0.06 0.00 0.00 57.16 57.87 2km6 n GLU 21 Cb 0.00 -1.11 0.06 0.00 -0.06 0.00 0.00 31.44 30.33 2km6 n GLU 21 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2km6 n ASP 22 N -2.60 2.02 -0.01 4.31 2.03 -1.26 -4.59 116.55 116.46 2km6 n ASP 22 Ca 0.00 -1.58 -0.19 0.00 0.52 0.00 0.00 54.79 53.54 2km6 n ASP 22 Cb 0.00 -0.06 -0.14 0.00 -0.72 0.00 0.00 41.12 40.20 2km6 n ASP 22 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2km6 n GLU 23 N 0.34 0.73 0.27 -0.67 -0.58 -0.86 -3.99 120.64 115.88 2km6 n GLU 23 Ca 0.06 0.25 0.16 0.00 -0.42 0.00 0.00 57.16 57.21 2km6 n GLU 23 Cb 0.26 -1.70 0.58 0.00 -0.57 0.00 0.00 31.44 30.01 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 0.06 0.00 -1.19 -4.62 5.85 -0.91 -2.26 115.31 112.23 2km6 h LEU 24 Ca -0.42 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.34 2km6 h LEU 24 Cb 2.03 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 43.01 2km6 h LEU 24 CO 0.07 0.00 0.56 0.11 -0.34 0.00 0.00 178.44 178.84 2km6 h LYS 25 N 0.00 1.00 0.17 1.25 1.57 -1.75 0.12 116.57 118.93 2km6 h LYS 25 Ca 0.00 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 2km6 h LYS 25 Cb 0.61 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.69 2km6 h LYS 25 CO 0.00 0.66 -0.08 0.77 -0.57 0.00 0.00 179.45 180.23 2km6 h SER 26 N 1.03 -0.19 -0.63 0.86 0.02 -1.62 -3.35 113.55 109.68 2km6 h SER 26 Ca 0.34 -0.34 0.12 0.00 -0.84 0.00 0.00 61.79 61.07 2km6 h SER 26 Cb 0.07 0.05 -0.09 0.00 0.14 0.00 0.00 62.40 62.56 2km6 h SER 26 CO -0.11 0.36 0.11 0.15 -1.14 0.00 0.00 176.83 176.20 2km6 h PHE 27 N -0.86 0.17 -0.04 3.45 3.04 -1.23 0.28 116.94 121.75 2km6 h PHE 27 Ca -0.02 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.97 2km6 h PHE 27 Cb 0.52 0.02 -0.00 0.00 2.56 0.00 0.00 35.95 39.05 2km6 h PHE 27 CO 0.08 -0.07 0.02 0.87 -2.02 0.00 0.00 178.31 177.20 2km6 h LYS 28 N 0.23 0.03 0.16 1.11 1.57 -1.13 -0.41 116.57 118.14 2km6 h LYS 28 Ca 0.33 -0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.82 2km6 h LYS 28 Cb 0.52 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.83 2km6 h LYS 28 CO -0.45 0.02 -1.45 0.77 -0.57 0.00 0.00 179.45 177.78 2km6 h SER 29 N 0.03 0.51 -0.97 0.86 0.02 -1.34 -3.33 113.55 109.34 2km6 h SER 29 Ca 0.01 -0.90 0.03 0.00 -0.84 0.00 0.00 61.79 60.09 2km6 h SER 29 Cb 0.02 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 62.34 2km6 h SER 29 CO -0.00 1.65 0.64 -0.07 -1.14 0.00 0.00 176.83 177.91 2km6 h LEU 30 N -0.14 1.07 0.00 5.07 3.38 -0.19 -0.77 115.31 123.73 2km6 h LEU 30 Ca -0.29 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2km6 h LEU 30 Cb 1.89 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.39 2km6 h LEU 30 CO 0.13 0.75 0.00 0.00 0.09 0.00 0.00 178.44 179.41 2km6 n LEU 31 N -4.45 0.00 -0.25 1.67 -0.00 -0.24 -1.70 117.00 112.03 2km6 n LEU 31 Ca 0.13 0.03 0.09 0.00 -0.00 0.00 0.00 56.01 56.26 2km6 n LEU 31 Cb 0.07 -0.03 -0.04 0.00 -0.00 0.00 0.00 43.42 43.42 2km6 n LEU 31 CO 0.35 -0.00 0.15 1.87 -0.00 0.00 0.00 177.39 179.76 2km6 n TRP 32 N -1.03 0.00 0.05 1.47 -0.00 -0.38 -4.41 117.44 113.13 2km6 n TRP 32 Ca 0.23 0.00 0.08 0.00 -0.00 0.00 0.00 57.50 57.81 2km6 n TRP 32 Cb 0.12 0.00 -0.08 0.00 -0.00 0.00 0.00 31.31 31.36 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 -0.61 2.45 -2.04 5.87 0.00 -0.69 -4.90 120.51 120.60 2km6 n ALA 33 Ca 0.06 -0.43 -0.30 0.00 0.00 0.00 0.00 53.44 52.77 2km6 n ALA 33 Cb 0.35 -0.92 -0.00 0.00 0.00 0.00 0.00 19.45 18.87 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 -3.29 3.57 -0.25 0.00 -0.12 -1.21 -4.95 117.98 111.73 2km6 s PHE 34 Ca -0.04 1.12 -0.28 0.00 -0.05 0.00 0.00 56.93 57.68 2km6 s PHE 34 Cb 0.11 -2.56 -0.05 0.00 -0.63 0.00 0.00 43.02 39.89 2km6 s PHE 34 CO 0.83 -0.45 2.25 -0.35 -0.05 0.00 0.00 175.22 177.45 2km6 n PRO 35 N -2.30 1.84 -2.51 1.99 -0.04 -1.26 -4.92 135.00 127.80 2km6 n PRO 35 Ca 0.04 0.47 -0.42 0.00 -0.04 0.00 0.00 63.50 63.55 2km6 n PRO 35 Cb 0.54 -3.26 -0.03 0.00 -0.04 0.00 0.00 33.50 30.71 2km6 n PRO 35 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2km6 s LEU 36 N 8.80 4.39 0.76 1.53 1.43 -1.26 -5.03 118.68 129.30 2km6 s LEU 36 Ca 1.01 1.94 -0.04 0.00 -1.03 0.00 0.00 54.13 56.01 2km6 s LEU 36 Cb -0.32 -3.58 0.14 0.00 0.03 0.00 0.00 46.19 42.45 2km6 s LEU 36 CO 0.34 -0.37 1.05 -1.61 0.23 0.00 0.00 176.35 175.99 2km6 s GLU 37 N 0.80 1.51 0.15 1.70 2.02 -1.26 -4.80 118.70 118.83 2km6 s GLU 37 Ca 0.55 -0.94 -0.27 0.00 0.02 0.00 0.00 54.97 54.33 2km6 s GLU 37 Cb -0.27 -2.24 -0.00 0.00 0.10 0.00 0.00 34.13 31.72 2km6 s GLU 37 CO 0.30 -1.61 1.58 0.38 0.02 0.00 0.00 175.26 175.92 2km6 h ASP 38 N -0.73 -1.41 0.71 -0.19 2.03 -2.00 0.14 116.42 114.98 2km6 h ASP 38 Ca -0.38 0.22 0.00 0.00 -0.73 0.00 0.00 57.03 56.13 2km6 h ASP 38 Cb 1.26 0.62 0.00 0.00 -0.83 0.00 0.00 39.33 40.38 2km6 h ASP 38 CO 0.41 -0.37 0.00 1.62 -1.03 0.00 0.00 179.24 179.87 2km6 h VAL 39 N -0.33 0.00 -0.02 4.15 3.04 -1.94 -1.52 116.25 119.64 2km6 h VAL 39 Ca 0.14 -0.33 0.00 0.00 -1.01 0.00 0.00 66.70 65.50 2km6 h VAL 39 Cb 0.58 1.25 0.00 0.00 -2.01 0.00 0.00 31.29 31.11 2km6 h VAL 39 CO -0.57 0.00 -0.11 0.18 -1.01 0.00 0.00 177.57 176.06 2km6 n LEU 40 N -2.88 1.72 -0.23 3.16 4.77 0.42 -3.42 117.00 120.53 2km6 n LEU 40 Ca 0.00 -0.56 0.12 0.00 -0.03 0.00 0.00 56.01 55.54 2km6 n LEU 40 Cb 0.23 -0.03 0.26 0.00 -2.33 0.00 0.00 43.42 41.55 2km6 n LEU 40 CO 0.23 0.30 0.52 0.00 -1.33 0.00 0.00 177.39 177.11 2km6 n GLN 41 N 0.18 0.71 -0.23 3.23 6.02 -0.57 -3.69 117.38 123.04 2km6 n GLN 41 Ca 0.15 -0.47 0.08 0.00 -0.01 0.00 0.00 57.00 56.75 2km6 n GLN 41 Cb 0.41 -1.49 0.20 0.00 1.02 0.00 0.00 30.24 30.38 2km6 n GLN 41 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 2km6 n LYS 42 N -0.73 2.75 -1.66 -1.09 2.85 -1.22 -5.01 118.16 114.04 2km6 n LYS 42 Ca 0.10 -2.21 -0.46 0.00 -1.05 0.00 0.00 58.31 54.69 2km6 n LYS 42 Cb 0.37 -1.36 -0.04 0.00 -0.65 0.00 0.00 35.03 33.34 2km6 n LYS 42 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2km6 n THR 43 N 0.87 0.62 -2.22 0.58 -2.24 -1.24 -4.89 114.28 105.75 2km6 n THR 43 Ca 0.15 -0.15 -0.33 0.00 -2.27 0.00 0.00 64.05 61.46 2km6 n THR 43 Cb 0.48 -2.06 -0.04 0.00 -2.10 0.00 0.00 70.33 66.62 2km6 n THR 43 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2km6 s PRO 44 N 4.46 2.90 0.41 -0.78 0.04 -1.26 -4.80 135.00 135.97 2km6 s PRO 44 Ca 0.93 -0.43 0.09 0.00 0.04 0.00 0.00 61.00 61.64 2km6 s PRO 44 Cb -0.59 -5.02 0.87 0.00 0.04 0.00 0.00 34.50 29.79 2km6 s PRO 44 CO 0.48 -2.90 1.99 2.35 0.04 0.00 0.00 177.00 178.95 2km6 h TRP 45 N 11.20 0.30 -0.69 0.56 2.91 -1.98 -1.74 115.95 126.50 2km6 h TRP 45 Ca 0.06 -0.02 0.12 0.00 1.13 0.00 0.00 58.89 60.19 2km6 h TRP 45 Cb 1.03 -0.09 -0.04 0.00 -0.51 0.00 0.00 29.16 29.54 2km6 h TRP 45 CO 1.21 0.31 0.46 0.77 -1.03 0.00 0.00 178.44 180.16 2km6 h SER 46 N 0.30 0.42 0.16 2.65 0.02 -2.00 0.42 113.55 115.52 2km6 h SER 46 Ca 0.07 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 2km6 h SER 46 Cb 0.20 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.67 2km6 h SER 46 CO 0.00 0.24 -0.08 -0.33 -1.14 0.00 0.00 176.83 175.53 2km6 h GLU 47 N 0.46 -0.21 -0.25 3.45 4.39 -1.74 -3.33 114.58 117.36 2km6 h GLU 47 Ca 0.33 0.01 0.02 0.00 0.34 0.00 0.00 59.36 60.06 2km6 h GLU 47 Cb 0.65 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 2km6 h GLU 47 CO -0.10 0.23 0.17 -0.39 -1.16 0.00 0.00 179.01 177.75 2km6 h VAL 48 N -0.80 1.01 -0.13 3.13 -1.51 -0.63 -1.02 116.25 116.30 2km6 h VAL 48 Ca -0.02 -0.08 0.00 0.00 -1.23 0.00 0.00 66.70 65.36 2km6 h VAL 48 Cb 0.53 0.74 -0.01 0.00 -2.13 0.00 0.00 31.29 30.42 2km6 h VAL 48 CO 0.04 0.04 0.09 -0.08 -1.23 0.00 0.00 177.57 176.43 2km6 h GLU 49 N 0.25 0.18 -0.00 5.19 4.22 -0.33 -2.73 114.58 121.35 2km6 h GLU 49 Ca 0.10 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.53 2km6 h GLU 49 Cb 0.10 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2km6 h GLU 49 CO -0.02 0.12 -0.55 0.39 -2.18 0.00 0.00 179.01 176.76 2km6 n GLU 50 N -5.00 0.30 -2.72 1.92 1.02 -0.94 -4.90 120.64 110.33 2km6 n GLU 50 Ca -0.05 -0.20 -0.39 0.00 -0.02 0.00 0.00 57.16 56.50 2km6 n GLU 50 Cb 0.03 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 29.89 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 -2.84 3.30 0.03 0.62 0.00 -0.43 -5.05 121.76 117.39 2km6 s ALA 51 Ca 0.14 0.63 -0.02 0.00 0.00 0.00 0.00 51.96 52.71 2km6 s ALA 51 Cb 0.18 -3.22 -0.02 0.00 0.00 0.00 0.00 23.12 20.06 2km6 s ALA 51 CO 0.69 0.14 0.01 0.16 0.00 0.00 0.00 175.76 176.76 2km6 s ASP 52 N -1.27 0.25 0.93 0.00 -4.77 -1.26 -4.71 116.67 105.84 2km6 s ASP 52 Ca 0.44 -0.57 0.00 0.00 -3.30 0.00 0.00 52.55 49.12 2km6 s ASP 52 Cb -0.25 0.16 0.00 0.00 -1.09 0.00 0.00 42.92 41.74 2km6 s ASP 52 CO 0.31 -0.41 0.00 0.61 0.70 0.00 0.00 175.17 176.38 2km6 n GLY 53 N 1.13 1.32 0.22 2.12 0.00 -1.19 -1.24 105.19 107.56 2km6 n GLY 53 Ca -0.21 0.56 -0.09 0.00 0.00 0.00 0.00 46.02 46.27 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 0.72 -0.60 1.61 3.11 -1.83 -2.33 116.57 117.24 2km6 h LYS 54 Ca 0.00 -0.18 0.02 0.00 -2.81 0.00 0.00 60.65 57.68 2km6 h LYS 54 Cb 0.00 -0.09 -0.03 0.00 -1.00 0.00 0.00 32.23 31.11 2km6 h LYS 54 CO 0.00 0.73 0.40 0.87 -2.81 0.00 0.00 179.45 178.64 2km6 h LYS 55 N 0.58 0.73 -0.24 1.90 1.79 -1.56 -1.07 116.57 118.71 2km6 h LYS 55 Ca 0.14 -0.04 -0.14 0.00 -2.18 0.00 0.00 60.65 58.42 2km6 h LYS 55 Cb 0.35 -0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 30.83 2km6 h LYS 55 CO 0.00 0.49 -0.39 1.25 -1.08 0.00 0.00 179.45 179.72 2km6 h LEU 56 N 0.76 0.76 -1.49 2.94 5.85 -1.45 -2.93 115.31 119.74 2km6 h LEU 56 Ca 0.23 -0.52 0.04 0.00 0.84 0.00 0.00 57.88 58.47 2km6 h LEU 56 Cb 0.00 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 2km6 h LEU 56 CO -0.06 1.13 0.39 0.00 -0.34 0.00 0.00 178.44 179.57 2km6 h ALA 57 N 0.64 1.74 -0.89 1.25 0.00 -0.81 -0.63 119.26 120.57 2km6 h ALA 57 Ca 0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2km6 h ALA 57 Cb 0.98 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 2km6 h ALA 57 CO 0.09 0.18 0.55 1.49 0.00 0.00 0.00 179.25 181.56 2km6 h GLU 58 N 0.65 1.20 0.02 0.00 4.81 -1.06 0.18 114.58 120.37 2km6 h GLU 58 Ca 0.25 -0.10 -0.20 0.00 -0.13 0.00 0.00 59.36 59.18 2km6 h GLU 58 Cb 0.16 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 2km6 h GLU 58 CO -0.07 0.83 -0.92 0.82 -0.73 0.00 0.00 179.01 178.93 2km6 h ILE 59 N 1.22 1.57 -0.17 2.32 2.04 -0.99 -1.33 117.51 122.17 2km6 h ILE 59 Ca 0.32 -2.88 -0.02 0.00 1.00 0.00 0.00 64.86 63.28 2km6 h ILE 59 Cb -0.07 2.61 -0.01 0.00 -0.74 0.00 0.00 36.82 38.61 2km6 h ILE 59 CO -0.06 0.83 0.02 -0.07 0.00 0.00 0.00 178.15 178.86 2km6 h LEU 60 N 0.05 0.28 -0.10 1.44 -0.00 -0.68 -2.80 115.31 113.49 2km6 h LEU 60 Ca -0.04 -0.28 0.00 0.00 -0.00 0.00 0.00 57.88 57.56 2km6 h LEU 60 Cb 1.59 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 42.18 2km6 h LEU 60 CO 0.13 0.49 0.00 0.55 -0.00 0.00 0.00 178.44 179.61 2km6 n VAL 61 N -4.76 0.47 -0.05 1.22 3.14 -0.01 -0.48 118.33 117.87 2km6 n VAL 61 Ca -0.05 -0.02 -0.14 0.00 -2.96 0.00 0.00 64.34 61.17 2km6 n VAL 61 Cb 0.20 -0.70 -0.07 0.00 -1.06 0.00 0.00 33.84 32.21 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 0.57 0.00 6.55 -0.73 -1.08 -3.40 115.58 117.50 2km6 h ASN 62 Ca 0.00 -0.55 -0.42 0.00 1.87 0.00 0.00 56.30 57.20 2km6 h ASN 62 Cb 0.52 -0.16 -0.06 0.00 0.27 0.00 0.00 38.32 38.88 2km6 h ASN 62 CO 0.00 1.02 -2.30 0.35 -0.37 0.00 0.00 177.43 176.13 2km6 n THR 63 N -4.34 1.53 -3.86 -3.57 -2.24 -1.03 -4.99 114.28 95.77 2km6 n THR 63 Ca -0.06 -0.34 -0.27 0.00 -2.27 0.00 0.00 64.05 61.11 2km6 n THR 63 Cb 0.49 -1.88 -0.03 0.00 -2.10 0.00 0.00 70.33 66.81 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 -7.31 6.36 0.41 3.42 0.01 0.37 -4.88 113.70 112.08 2km6 s SER 64 Ca -0.37 0.25 -0.10 0.00 1.31 0.00 0.00 55.95 57.04 2km6 s SER 64 Cb 0.13 -1.95 -0.06 0.00 0.21 0.00 0.00 66.02 64.35 2km6 s SER 64 CO 0.52 0.02 0.78 -0.94 0.41 0.00 0.00 173.24 174.03 2km6 s SER 65 N -3.20 6.51 0.43 2.44 1.04 -1.26 -4.46 113.70 115.20 2km6 s SER 65 Ca 0.36 1.14 0.12 0.00 0.48 0.00 0.00 55.95 58.05 2km6 s SER 65 Cb -0.11 -2.33 0.99 0.00 0.10 0.00 0.00 66.02 64.67 2km6 s SER 65 CO 0.29 -0.41 2.00 1.05 0.98 0.00 0.00 173.24 177.14 2km6 h GLU 66 N 1.20 0.43 0.00 4.02 -0.00 -1.95 0.14 114.58 118.42 2km6 h GLU 66 Ca -0.47 -0.03 -0.05 0.00 -0.00 0.00 0.00 59.36 58.81 2km6 h GLU 66 Cb 1.19 -0.10 -0.01 0.00 -0.00 0.00 0.00 28.75 29.83 2km6 h GLU 66 CO 0.64 0.29 -0.24 -0.97 -0.00 0.00 0.00 179.01 178.72 2km6 h ASN 67 N 0.45 0.00 0.05 3.06 -1.24 -1.99 -1.68 115.58 114.23 2km6 h ASN 67 Ca 0.25 0.00 -0.30 0.00 0.71 0.00 0.00 56.30 56.96 2km6 h ASN 67 Cb 0.41 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.43 2km6 h ASN 67 CO -0.07 0.24 -1.66 1.87 -1.29 0.00 0.00 177.43 176.52 2km6 n TRP 68 N -3.85 1.03 -0.06 0.67 -0.00 -0.14 -4.26 117.44 110.84 2km6 n TRP 68 Ca -0.02 0.33 0.04 0.00 -0.00 0.00 0.00 57.50 57.86 2km6 n TRP 68 Cb 0.33 -1.12 0.39 0.00 -0.00 0.00 0.00 31.31 30.91 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 -0.55 1.10 -0.96 5.87 2.04 -0.70 -2.19 117.51 122.14 2km6 h ILE 69 Ca -0.41 -0.22 0.17 0.00 1.00 0.00 0.00 64.86 65.40 2km6 h ILE 69 Cb 1.63 0.40 -0.09 0.00 -0.74 0.00 0.00 36.82 38.02 2km6 h ILE 69 CO -0.10 0.12 0.61 0.08 0.00 0.00 0.00 178.15 178.85 2km6 h ARG 70 N 0.65 0.69 0.17 2.37 0.11 -1.49 0.62 114.38 117.50 2km6 h ARG 70 Ca 0.19 -0.04 -0.36 0.00 0.10 0.00 0.00 59.98 59.88 2km6 h ARG 70 Cb -0.02 -0.15 0.00 0.00 1.11 0.00 0.00 29.97 30.91 2km6 h ARG 70 CO -0.05 0.45 -1.82 -0.97 0.10 0.00 0.00 179.97 177.69 2km6 h ASN 71 N 0.71 0.56 0.22 0.08 -1.24 -1.65 -3.35 115.58 110.91 2km6 h ASN 71 Ca 0.51 -0.94 0.00 0.00 0.71 0.00 0.00 56.30 56.59 2km6 h ASN 71 Cb 0.85 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 39.71 2km6 h ASN 71 CO -0.28 1.81 -0.19 0.00 -1.29 0.00 0.00 177.43 177.48 2km6 h ALA 72 N 0.11 -0.40 -0.78 1.57 0.00 -0.69 -0.19 119.26 118.87 2km6 h ALA 72 Ca -0.37 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 2km6 h ALA 72 Cb 2.08 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 20.10 2km6 h ALA 72 CO 0.15 -0.75 0.38 0.00 0.00 0.00 0.00 179.25 179.04 2km6 h THR 73 N -0.42 1.25 -0.14 0.00 1.03 -1.12 -1.23 112.91 112.27 2km6 h THR 73 Ca -0.01 -0.69 -0.00 0.00 -0.01 0.00 0.00 66.41 65.70 2km6 h THR 73 Cb 0.38 0.25 -0.01 0.00 -1.07 0.00 0.00 68.15 67.71 2km6 h THR 73 CO -0.03 0.29 0.08 0.58 -0.01 0.00 0.00 175.52 176.44 2km6 h VAL 74 N 1.11 1.09 -1.01 0.00 2.07 -1.64 -2.20 116.25 115.66 2km6 h VAL 74 Ca 0.27 -0.23 0.07 0.00 0.82 0.00 0.00 66.70 67.63 2km6 h VAL 74 Cb 0.11 0.98 -0.07 0.00 -1.52 0.00 0.00 31.29 30.79 2km6 h VAL 74 CO -0.03 0.08 0.65 -1.13 0.02 0.00 0.00 177.57 177.15 2km6 h ASN 75 N 0.14 1.03 -0.42 0.57 -0.00 -0.44 0.38 115.58 116.84 2km6 h ASN 75 Ca 0.05 0.01 -0.12 0.00 -0.00 0.00 0.00 56.30 56.24 2km6 h ASN 75 Cb 0.06 -0.20 -0.01 0.00 -0.00 0.00 0.00 38.32 38.16 2km6 h ASN 75 CO -0.01 0.64 -0.22 0.40 -0.00 0.00 0.00 177.43 178.24 2km6 h ILE 76 N 1.16 1.28 -0.33 2.57 1.08 -0.96 -0.17 117.51 122.14 2km6 h ILE 76 Ca 0.44 -1.38 -0.10 0.00 -0.39 0.00 0.00 64.86 63.43 2km6 h ILE 76 Cb 0.21 1.25 -0.01 0.00 -3.07 0.00 0.00 36.82 35.19 2km6 h ILE 76 CO -0.18 0.47 -0.23 -0.07 -0.69 0.00 0.00 178.15 177.44 2km6 h LEU 77 N 0.73 0.64 -0.63 1.44 3.38 -0.64 -2.41 115.31 117.82 2km6 h LEU 77 Ca 0.09 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 2km6 h LEU 77 Cb 0.79 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 2km6 h LEU 77 CO 0.07 0.86 0.40 -0.33 0.09 0.00 0.00 178.44 179.52 2km6 h GLU 78 N 0.56 0.85 0.00 1.13 4.39 -0.08 0.26 114.58 121.70 2km6 h GLU 78 Ca 0.08 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2km6 h GLU 78 Cb 0.69 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 2km6 h GLU 78 CO 0.05 0.59 0.00 1.49 -1.16 0.00 0.00 179.01 179.99 2km6 h GLU 79 N 0.86 0.00 -0.14 2.33 4.57 -0.62 -0.05 114.58 121.54 2km6 h GLU 79 Ca 0.23 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.41 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 0.00 0.00 -1.33 -1.18 0.00 0.00 179.01 176.45 2km6 n MET 80 N -2.40 1.52 -2.65 1.92 2.81 -0.68 -4.97 117.12 112.67 2km6 n MET 80 Ca 0.01 -1.60 -0.20 0.00 -1.81 0.00 0.00 57.70 54.09 2km6 n MET 80 Cb 0.19 -1.30 0.00 0.00 -0.71 0.00 0.00 33.22 31.40 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 0.83 -5.53 -3.06 7.83 5.15 -0.03 -4.86 115.26 115.58 2km6 n ASN 81 Ca 0.10 -0.09 -0.34 0.00 -0.60 0.00 0.00 54.58 53.66 2km6 n ASN 81 Cb 0.40 -4.57 -0.05 0.00 -0.53 0.00 0.00 39.78 35.03 2km6 n ASN 81 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2km6 n LEU 82 N -3.33 7.71 -0.12 1.20 4.77 -0.05 -4.75 117.00 122.43 2km6 n LEU 82 Ca -0.18 -4.32 -0.12 0.00 -0.03 0.00 0.00 56.01 51.36 2km6 n LEU 82 Cb 0.65 -1.43 -0.07 0.00 -2.33 0.00 0.00 43.42 40.23 2km6 n LEU 82 CO 0.34 1.97 0.54 0.71 -1.33 0.00 0.00 177.39 179.62 2km6 h THR 83 N 2.59 0.05 -1.00 -5.08 1.35 -1.89 0.33 112.91 109.27 2km6 h THR 83 Ca 0.66 0.00 0.12 0.00 -0.55 0.00 0.00 66.41 66.64 2km6 h THR 83 Cb 0.53 0.05 -0.14 0.00 -1.73 0.00 0.00 68.15 66.87 2km6 h THR 83 CO 1.33 0.00 -0.49 1.05 -0.25 0.00 0.00 175.52 177.17 2km6 h GLU 84 N -0.38 -0.00 0.00 4.72 4.11 -2.00 0.35 114.58 121.38 2km6 h GLU 84 Ca 0.10 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.40 2km6 h GLU 84 Cb 0.60 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 2km6 h GLU 84 CO -0.58 -0.00 -1.53 1.47 0.07 0.00 0.00 179.01 178.44 2km6 n LEU 85 N -5.37 0.64 -0.06 3.06 -0.00 -1.15 -3.82 117.00 110.30 2km6 n LEU 85 Ca 0.06 0.27 -0.03 0.00 -0.00 0.00 0.00 56.01 56.31 2km6 n LEU 85 Cb 0.33 0.08 0.20 0.00 -0.00 0.00 0.00 43.42 44.03 2km6 n LEU 85 CO -0.15 0.10 0.86 0.00 -0.00 0.00 0.00 177.39 178.20 2km6 h LYS 87 N 0.62 0.00 0.17 0.00 1.57 -0.48 0.17 116.57 118.62 2km6 h LYS 87 Ca 0.12 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.58 2km6 h LYS 87 Cb 0.47 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.79 2km6 h LYS 87 CO 0.02 0.12 -1.49 0.52 -0.57 0.00 0.00 179.45 178.05 2km6 h MET 88 N 0.00 0.36 -0.83 3.15 2.86 -1.22 -3.02 114.93 116.23 2km6 h MET 88 Ca -0.00 -0.62 0.03 0.00 -2.06 0.00 0.00 59.70 57.06 2km6 h MET 88 Cb 0.40 0.23 -0.05 0.00 0.06 0.00 0.00 31.60 32.24 2km6 h MET 88 CO 0.02 1.27 0.53 0.00 1.06 0.00 0.00 176.91 179.78 2km6 h ALA 89 N 0.36 1.09 0.00 6.32 0.00 0.14 0.29 119.26 127.46 2km6 h ALA 89 Ca -0.24 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2km6 h ALA 89 Cb 2.06 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.58 2km6 h ALA 89 CO 0.21 0.35 0.00 1.63 0.00 0.00 0.00 179.25 181.44 2km6 n LYS 90 N -4.57 0.05 0.00 0.00 5.02 0.50 0.25 118.16 119.41 2km6 n LYS 90 Ca 0.10 0.26 0.01 0.00 -2.02 0.00 0.00 58.31 56.67 2km6 n LYS 90 Cb 0.09 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.59 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 -1.43 2.38 0.00 7.82 0.00 0.14 -4.38 120.51 125.04 2km6 n ALA 91 Ca 0.04 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2km6 n ALA 91 Cb 0.12 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.47 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 -0.84 0.00 0.00 0.00 1.02 0.77 -4.56 120.64 117.03 2km6 n GLU 92 Ca 0.01 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.29 2km6 n GLU 92 Cb 0.05 -0.43 0.65 0.00 -0.02 0.00 0.00 31.44 31.68 2km6 n GLU 92 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2km6 n MET 93 N -2.92 0.41 -3.75 3.49 2.81 0.14 -4.18 117.12 113.12 2km6 n MET 93 Ca 0.00 -0.08 -0.30 0.00 -1.81 0.00 0.00 57.70 55.51 2km6 n MET 93 Cb 0.43 -1.50 -0.14 0.00 -0.71 0.00 0.00 33.22 31.30 2km6 n MET 93 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 2km6 s MET 94 N -2.64 0.98 0.00 0.03 -1.94 -0.87 -4.57 119.30 110.28 2km6 s MET 94 Ca 0.25 -1.47 0.10 0.00 -1.71 0.00 0.00 55.69 52.85 2km6 s MET 94 Cb 0.20 -2.21 0.33 0.00 2.01 0.00 0.00 34.83 35.16 2km6 s MET 94 CO 0.49 -1.05 1.25 0.39 -0.01 0.00 0.00 175.02 176.10 2km6 n GLU 95 N 4.34 1.52 -3.21 2.03 4.71 -1.26 -3.75 120.64 125.02 2km6 n GLU 95 Ca 0.02 -0.80 -0.39 0.00 -0.01 0.00 0.00 57.16 55.98 2km6 n GLU 95 Cb 0.39 -1.21 -0.05 0.00 -1.01 0.00 0.00 31.44 29.56 2km6 n GLU 95 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 2km6 s ASP 96 N -1.11 6.81 0.00 1.62 2.15 -1.26 -4.77 116.67 120.12 2km6 s ASP 96 Ca 0.18 0.97 0.00 0.00 0.43 0.00 0.00 52.55 54.14 2km6 s ASP 96 Cb 0.09 -2.34 0.00 0.00 -0.30 0.00 0.00 42.92 40.38 2km6 s ASP 96 CO 0.13 -0.04 0.00 0.61 -0.17 0.00 0.00 175.17 175.71 2km6 n GLY 97 N 3.15 0.46 0.00 2.66 0.00 -1.26 -4.96 105.19 105.24 2km6 n GLY 97 Ca -0.05 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.87 2km6 n GLY 97 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26