#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 2.66 -0.14 1.12 -1.04 -1.26 -4.56 114.28 111.05 2km6 n THR 4 Ca 0.00 -0.50 -0.04 0.00 -2.04 0.00 0.00 64.05 61.47 2km6 n THR 4 Cb 0.00 -1.29 0.02 0.00 -1.82 0.00 0.00 70.33 67.25 2km6 n THR 4 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2km6 h SER 5 N 1.58 -0.61 -0.18 8.00 0.02 -2.05 0.69 113.55 121.01 2km6 h SER 5 Ca -0.46 0.16 0.04 0.00 -0.84 0.00 0.00 61.79 60.69 2km6 h SER 5 Cb 1.33 0.35 -0.04 0.00 0.14 0.00 0.00 62.40 64.18 2km6 h SER 5 CO 0.57 -0.21 -0.06 -0.65 -1.14 0.00 0.00 176.83 175.34 2km6 h PRO 6 N -0.07 -0.02 -0.08 3.45 0.11 -1.99 0.15 132.00 133.55 2km6 h PRO 6 Ca 0.22 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.19 2km6 h PRO 6 Cb 0.41 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 2km6 h PRO 6 CO -0.52 -0.02 -0.60 1.96 -0.21 0.00 0.00 178.00 178.62 2km6 h GLN 7 N -0.02 0.28 0.40 1.05 7.50 -1.79 0.14 115.11 122.66 2km6 h GLN 7 Ca 0.09 -0.19 -0.02 0.00 0.50 0.00 0.00 58.65 59.03 2km6 h GLN 7 Cb 0.16 0.03 0.00 0.00 0.05 0.00 0.00 27.48 27.72 2km6 h GLN 7 CO -0.20 0.79 -0.19 1.25 -1.50 0.00 0.00 178.83 178.98 2km6 h LEU 8 N 0.21 -0.46 -0.74 1.46 7.12 -0.60 0.36 115.31 122.65 2km6 h LEU 8 Ca -0.01 -0.01 -0.10 0.00 0.13 0.00 0.00 57.88 57.90 2km6 h LEU 8 Cb 1.11 0.12 -0.02 0.00 -0.53 0.00 0.00 40.66 41.34 2km6 h LEU 8 CO 0.10 -0.29 -0.07 -0.08 -0.13 0.00 0.00 178.44 177.96 2km6 h GLU 9 N -0.59 0.89 -0.57 1.25 4.81 -0.90 -2.68 114.58 116.80 2km6 h GLU 9 Ca -0.06 -0.29 0.05 0.00 -0.13 0.00 0.00 59.36 58.93 2km6 h GLU 9 Cb 0.44 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.70 2km6 h GLU 9 CO 0.09 0.93 0.30 2.35 -0.73 0.00 0.00 179.01 181.95 2km6 h TRP 10 N 0.81 0.55 -0.69 0.92 7.01 -0.50 0.20 115.95 124.24 2km6 h TRP 10 Ca 0.14 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.15 2km6 h TRP 10 Cb 0.58 -0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 27.45 2km6 h TRP 10 CO 0.03 0.27 0.38 1.15 -2.79 0.00 0.00 178.44 177.48 2km6 h THR 11 N 0.57 1.21 0.31 2.65 2.02 -0.59 -0.22 112.91 118.86 2km6 h THR 11 Ca 0.25 -0.51 -0.02 0.00 0.77 0.00 0.00 66.41 66.90 2km6 h THR 11 Cb 0.15 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 66.84 2km6 h THR 11 CO -0.17 0.23 -0.15 -0.07 0.37 0.00 0.00 175.52 175.73 2km6 h LEU 12 N 0.96 -0.35 -0.70 2.58 3.38 -1.18 -3.09 115.31 116.91 2km6 h LEU 12 Ca 0.24 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 58.09 2km6 h LEU 12 Cb 0.02 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 2km6 h LEU 12 CO -0.04 -0.02 0.44 0.06 0.09 0.00 0.00 178.44 178.97 2km6 h GLN 13 N -0.71 0.83 -0.69 1.13 3.07 -0.65 -1.77 115.11 116.32 2km6 h GLN 13 Ca -0.04 -0.05 0.09 0.00 0.09 0.00 0.00 58.65 58.73 2km6 h GLN 13 Cb 0.49 -0.19 -0.04 0.00 0.08 0.00 0.00 27.48 27.82 2km6 h GLN 13 CO 0.07 0.55 0.45 1.15 0.09 0.00 0.00 178.83 181.14 2km6 h THR 14 N 0.85 0.95 0.06 1.86 2.02 -1.06 0.42 112.91 118.00 2km6 h THR 14 Ca 0.28 -0.21 -0.15 0.00 0.77 0.00 0.00 66.41 67.10 2km6 h THR 14 Cb 0.03 0.29 0.02 0.00 -1.74 0.00 0.00 68.15 66.75 2km6 h THR 14 CO -0.11 0.11 -0.63 -0.07 0.37 0.00 0.00 175.52 175.19 2km6 h LEU 15 N 0.60 0.45 -0.72 2.58 3.38 -1.32 -3.29 115.31 117.00 2km6 h LEU 15 Ca 0.31 -0.85 0.00 0.00 0.09 0.00 0.00 57.88 57.43 2km6 h LEU 15 Cb 0.42 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2km6 h LEU 15 CO -0.10 1.26 0.00 -0.07 0.09 0.00 0.00 178.44 179.62 2km6 h LEU 16 N -0.29 0.00 -0.28 1.67 4.07 -0.43 -0.20 115.31 119.85 2km6 h LEU 16 Ca -0.10 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.86 2km6 h LEU 16 Cb 1.41 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.15 2km6 h LEU 16 CO 0.12 0.00 0.00 -0.33 -1.08 0.00 0.00 178.44 177.15 2km6 h GLU 17 N 0.00 0.00 0.01 1.13 5.08 -0.28 -3.28 114.58 117.23 2km6 h GLU 17 Ca 0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.03 2km6 h GLU 17 Cb 0.56 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.77 2km6 h GLU 17 CO 0.00 0.00 -1.82 1.04 -1.00 0.00 0.00 179.01 177.23 2km6 n GLN 18 N -2.59 0.59 -3.42 2.33 6.02 -0.42 -4.82 117.38 115.07 2km6 n GLN 18 Ca 0.04 0.43 -0.41 0.00 -0.01 0.00 0.00 57.00 57.05 2km6 n GLN 18 Cb 0.41 -1.64 -0.10 0.00 1.02 0.00 0.00 30.24 29.93 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 -7.65 4.46 0.21 1.08 0.05 -0.22 -4.76 118.68 111.86 2km6 s LEU 19 Ca -0.32 -0.27 0.00 0.00 0.05 0.00 0.00 54.13 53.59 2km6 s LEU 19 Cb 0.09 -2.31 0.00 0.00 -2.05 0.00 0.00 46.19 41.93 2km6 s LEU 19 CO 0.57 -0.32 0.00 -0.46 -0.55 0.00 0.00 176.35 175.58 2km6 n ASN 20 N 5.34 -1.89 -0.16 1.48 0.23 -1.26 -4.48 115.26 114.51 2km6 n ASN 20 Ca -0.10 0.50 -0.11 0.00 -0.53 0.00 0.00 54.58 54.34 2km6 n ASN 20 Cb 0.49 1.97 -0.08 0.00 -2.08 0.00 0.00 39.78 40.08 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 -0.26 -0.01 -3.83 4.81 -1.92 0.56 114.58 113.92 2km6 h GLU 21 Ca 0.00 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2km6 h GLU 21 Cb 0.00 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.44 2km6 h GLU 21 CO 0.00 -0.18 0.00 -3.47 -0.73 0.00 0.00 179.01 174.63 2km6 n ASP 22 N -4.94 1.33 -0.03 1.04 2.03 -1.26 -4.68 116.55 110.03 2km6 n ASP 22 Ca -0.02 -1.28 -0.12 0.00 0.52 0.00 0.00 54.79 53.89 2km6 n ASP 22 Cb 0.28 -0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.53 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 -0.07 0.67 0.20 -0.67 -0.58 -1.02 -3.79 120.64 115.37 2km6 n GLU 23 Ca 0.01 0.24 0.07 0.00 -0.42 0.00 0.00 57.16 57.06 2km6 n GLU 23 Cb 0.08 -1.73 0.38 0.00 -0.57 0.00 0.00 31.44 29.60 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 0.01 0.00 -0.86 -4.62 5.85 -1.13 -2.41 115.31 112.15 2km6 h LEU 24 Ca -0.36 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.40 2km6 h LEU 24 Cb 2.05 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 43.02 2km6 h LEU 24 CO 0.07 0.32 0.55 0.11 -0.34 0.00 0.00 178.44 179.15 2km6 h LYS 25 N 0.00 1.03 0.78 1.25 1.57 -1.74 0.18 116.57 119.63 2km6 h LYS 25 Ca -0.00 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 2km6 h LYS 25 Cb 0.84 -0.23 0.01 0.00 0.08 0.00 0.00 32.23 32.93 2km6 h LYS 25 CO 0.04 0.68 -0.37 0.77 -0.57 0.00 0.00 179.45 180.00 2km6 h SER 26 N 1.06 -0.89 -0.38 0.86 0.02 -1.59 -3.01 113.55 109.62 2km6 h SER 26 Ca 0.35 0.02 0.08 0.00 -0.84 0.00 0.00 61.79 61.40 2km6 h SER 26 Cb 0.05 0.23 -0.07 0.00 0.14 0.00 0.00 62.40 62.74 2km6 h SER 26 CO -0.13 -0.55 -0.10 0.15 -1.14 0.00 0.00 176.83 175.06 2km6 h PHE 27 N -1.21 -0.23 -0.74 3.45 3.04 -1.16 0.25 116.94 120.36 2km6 h PHE 27 Ca -0.11 0.04 0.07 0.00 3.98 0.00 0.00 57.97 61.95 2km6 h PHE 27 Cb 0.82 0.16 -0.05 0.00 2.56 0.00 0.00 35.95 39.44 2km6 h PHE 27 CO -0.00 -0.17 0.48 0.87 -2.02 0.00 0.00 178.31 177.47 2km6 h LYS 28 N -0.01 0.73 0.06 1.11 1.57 -0.74 0.29 116.57 119.58 2km6 h LYS 28 Ca 0.19 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.82 2km6 h LYS 28 Cb 0.29 -0.17 0.01 0.00 0.08 0.00 0.00 32.23 32.44 2km6 h LYS 28 CO -0.40 0.48 -0.49 0.77 -0.57 0.00 0.00 179.45 179.25 2km6 h SER 29 N 0.75 0.20 -0.62 0.86 0.02 -1.17 -3.26 113.55 110.34 2km6 h SER 29 Ca 0.32 -0.94 -0.02 0.00 -0.84 0.00 0.00 61.79 60.31 2km6 h SER 29 Cb 0.29 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.73 2km6 h SER 29 CO -0.11 1.22 0.32 -0.07 -1.14 0.00 0.00 176.83 177.06 2km6 h LEU 30 N -0.71 0.81 0.00 5.07 3.38 -0.19 -1.04 115.31 122.62 2km6 h LEU 30 Ca -0.10 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2km6 h LEU 30 Cb 1.32 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2km6 h LEU 30 CO 0.05 0.68 0.00 0.00 0.09 0.00 0.00 178.44 179.26 2km6 n LEU 31 N -4.36 0.00 -0.77 1.67 -0.00 0.06 -1.73 117.00 111.87 2km6 n LEU 31 Ca 0.06 0.21 0.13 0.00 -0.00 0.00 0.00 56.01 56.41 2km6 n LEU 31 Cb 0.12 -0.21 0.28 0.00 -0.00 0.00 0.00 43.42 43.61 2km6 n LEU 31 CO 0.38 -0.00 0.73 1.87 -0.00 0.00 0.00 177.39 180.36 2km6 n TRP 32 N -1.21 0.02 0.01 1.47 -0.00 -0.41 -3.98 117.44 113.34 2km6 n TRP 32 Ca 0.17 -0.01 -0.02 0.00 -0.00 0.00 0.00 57.50 57.64 2km6 n TRP 32 Cb 0.20 0.00 -0.10 0.00 -0.00 0.00 0.00 31.31 31.41 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 0.87 1.87 -1.98 5.87 0.00 -0.71 -4.92 120.51 121.52 2km6 n ALA 33 Ca 0.16 -0.64 -0.30 0.00 0.00 0.00 0.00 53.44 52.66 2km6 n ALA 33 Cb 0.50 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 19.09 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 -2.86 3.60 -0.31 0.00 -0.12 -1.25 -5.00 117.98 112.04 2km6 s PHE 34 Ca -0.04 1.17 -0.29 0.00 -0.05 0.00 0.00 56.93 57.72 2km6 s PHE 34 Cb 0.09 -2.61 0.00 0.00 -0.63 0.00 0.00 43.02 39.87 2km6 s PHE 34 CO 0.82 -0.56 1.30 -1.25 -0.05 0.00 0.00 175.22 175.49 2km6 s PRO 35 N -4.98 3.88 0.28 1.99 0.04 -1.26 -5.00 135.00 129.96 2km6 s PRO 35 Ca 0.53 1.20 -0.29 0.00 0.04 0.00 0.00 61.00 62.48 2km6 s PRO 35 Cb -0.11 -3.89 -0.10 0.00 0.04 0.00 0.00 34.50 30.44 2km6 s PRO 35 CO 0.50 -1.16 1.36 -0.51 0.04 0.00 0.00 177.00 177.23 2km6 s LEU 36 N 4.46 4.41 -0.29 -3.56 1.02 -1.26 -5.00 118.68 118.46 2km6 s LEU 36 Ca 0.56 2.65 -0.00 0.00 0.02 0.00 0.00 54.13 57.36 2km6 s LEU 36 Cb -0.16 -3.63 0.05 0.00 0.02 0.00 0.00 46.19 42.47 2km6 s LEU 36 CO 0.24 -0.61 -0.03 -1.61 0.02 0.00 0.00 176.35 174.36 2km6 s GLU 37 N -1.04 2.39 0.00 1.70 2.02 -0.86 -4.74 118.70 118.17 2km6 s GLU 37 Ca 0.54 -1.28 0.00 0.00 0.02 0.00 0.00 54.97 54.25 2km6 s GLU 37 Cb -0.40 -3.09 0.00 0.00 0.10 0.00 0.00 34.13 30.74 2km6 s GLU 37 CO 0.48 -0.60 0.00 -3.47 0.02 0.00 0.00 175.26 171.69 2km6 n ASP 38 N 4.57 0.00 0.11 -0.19 -0.08 -1.26 -2.29 116.55 117.41 2km6 n ASP 38 Ca -0.14 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.13 2km6 n ASP 38 Cb 0.43 0.00 0.24 0.00 2.34 0.00 0.00 41.12 44.13 2km6 n ASP 38 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 2km6 h VAL 39 N 0.00 1.32 -3.80 5.18 2.07 -1.93 -3.37 116.25 115.72 2km6 h VAL 39 Ca 0.00 -1.54 -0.64 0.00 0.82 0.00 0.00 66.70 65.34 2km6 h VAL 39 Cb 0.00 1.73 -0.19 0.00 -1.52 0.00 0.00 31.29 31.31 2km6 h VAL 39 CO 0.00 0.46 -0.56 -0.76 0.02 0.00 0.00 177.57 176.73 2km6 s LEU 40 N -8.18 3.81 0.12 2.57 1.02 -0.97 -4.84 118.68 112.21 2km6 s LEU 40 Ca -0.04 -0.10 0.00 0.00 0.02 0.00 0.00 54.13 54.01 2km6 s LEU 40 Cb 0.13 -2.05 0.00 0.00 0.02 0.00 0.00 46.19 44.30 2km6 s LEU 40 CO 0.76 -0.05 0.00 1.67 0.02 0.00 0.00 176.35 178.76 2km6 n GLN 41 N 5.01 0.00 -0.12 1.70 7.27 -1.26 -2.04 117.38 127.95 2km6 n GLN 41 Ca -0.15 0.00 -0.24 0.00 0.07 0.00 0.00 57.00 56.68 2km6 n GLN 41 Cb 0.52 0.00 -0.09 0.00 2.41 0.00 0.00 30.24 33.08 2km6 n GLN 41 CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49 2km6 n LYS 42 N -2.88 0.51 -1.59 3.69 2.85 -1.26 -4.90 118.16 114.58 2km6 n LYS 42 Ca 0.00 0.21 0.00 0.00 -1.05 0.00 0.00 58.31 57.47 2km6 n LYS 42 Cb 0.00 -1.36 0.00 0.00 -0.65 0.00 0.00 35.03 33.02 2km6 n LYS 42 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 2km6 n THR 43 N -3.97 -6.74 -1.67 0.58 -1.04 -1.26 -4.69 114.28 95.49 2km6 n THR 43 Ca -0.46 2.34 -0.21 0.00 -2.04 0.00 0.00 64.05 63.68 2km6 n THR 43 Cb 0.84 -3.54 -0.06 0.00 -1.82 0.00 0.00 70.33 65.76 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 -2.09 1.90 0.41 -2.82 0.04 -1.26 -4.77 135.00 126.41 2km6 s PRO 44 Ca 0.00 0.53 0.16 0.00 0.04 0.00 0.00 61.00 61.73 2km6 s PRO 44 Cb 0.00 -4.77 0.90 0.00 0.04 0.00 0.00 34.50 30.67 2km6 s PRO 44 CO 0.00 -3.97 1.90 2.35 0.04 0.00 0.00 177.00 177.31 2km6 h TRP 45 N 13.86 0.00 -0.70 0.56 2.91 -1.98 -1.15 115.95 129.45 2km6 h TRP 45 Ca -0.04 0.00 -0.03 0.00 1.13 0.00 0.00 58.89 59.95 2km6 h TRP 45 Cb 1.06 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 29.68 2km6 h TRP 45 CO 1.13 0.29 0.33 1.03 -1.03 0.00 0.00 178.44 180.18 2km6 h SER 46 N 0.00 0.90 0.48 2.65 0.87 -1.99 0.37 113.55 116.83 2km6 h SER 46 Ca -0.00 -0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.43 2km6 h SER 46 Cb 0.55 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 2km6 h SER 46 CO 0.04 0.77 -0.23 -0.33 -0.53 0.00 0.00 176.83 176.55 2km6 h GLU 47 N 0.99 -0.62 -0.49 2.24 4.39 -1.76 -2.93 114.58 116.40 2km6 h GLU 47 Ca 0.24 0.04 0.06 0.00 0.34 0.00 0.00 59.36 60.04 2km6 h GLU 47 Cb 0.11 0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.87 2km6 h GLU 47 CO -0.03 -0.32 0.33 -0.39 -1.16 0.00 0.00 179.01 177.44 2km6 h VAL 48 N -0.88 0.98 0.23 3.13 -1.51 -0.55 -0.51 116.25 117.14 2km6 h VAL 48 Ca -0.07 -0.15 -0.01 0.00 -1.23 0.00 0.00 66.70 65.24 2km6 h VAL 48 Cb 0.58 0.51 0.00 0.00 -2.13 0.00 0.00 31.29 30.25 2km6 h VAL 48 CO 0.11 0.08 -0.11 -0.08 -1.23 0.00 0.00 177.57 176.34 2km6 h GLU 49 N 0.44 -0.29 -0.00 5.19 4.22 -0.32 -3.21 114.58 120.61 2km6 h GLU 49 Ca 0.21 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.67 2km6 h GLU 49 Cb 0.28 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2km6 h GLU 49 CO -0.05 0.08 -0.04 0.39 -2.18 0.00 0.00 179.01 177.21 2km6 n GLU 50 N -5.01 0.98 -3.28 1.92 1.02 -1.05 -4.72 120.64 110.50 2km6 n GLU 50 Ca -0.08 -0.28 -0.36 0.00 -0.02 0.00 0.00 57.16 56.41 2km6 n GLU 50 Cb 0.26 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.13 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 -2.21 3.54 0.02 0.62 0.00 -0.22 -5.06 121.76 118.44 2km6 s ALA 51 Ca 0.38 -0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.31 2km6 s ALA 51 Cb 0.21 -2.62 -0.02 0.00 0.00 0.00 0.00 23.12 20.70 2km6 s ALA 51 CO 0.41 0.41 -0.03 0.16 0.00 0.00 0.00 175.76 176.71 2km6 s ASP 52 N -1.58 0.26 0.87 0.00 1.47 -1.26 -4.68 116.67 111.75 2km6 s ASP 52 Ca 0.37 -0.43 0.00 0.00 1.18 0.00 0.00 52.55 53.68 2km6 s ASP 52 Cb -0.16 0.08 0.00 0.00 -0.34 0.00 0.00 42.92 42.50 2km6 s ASP 52 CO 0.20 -0.24 0.00 0.61 0.68 0.00 0.00 175.17 176.41 2km6 n GLY 53 N 1.82 1.08 0.21 2.12 0.00 -1.24 -1.32 105.19 107.87 2km6 n GLY 53 Ca -0.22 0.60 -0.09 0.00 0.00 0.00 0.00 46.02 46.32 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 0.68 -0.35 1.61 3.11 -1.82 -2.21 116.57 117.59 2km6 h LYS 54 Ca 0.00 -0.12 -0.01 0.00 -2.81 0.00 0.00 60.65 57.70 2km6 h LYS 54 Cb 0.00 -0.11 -0.02 0.00 -1.00 0.00 0.00 32.23 31.10 2km6 h LYS 54 CO 0.00 0.62 0.17 0.87 -2.81 0.00 0.00 179.45 178.30 2km6 h LYS 55 N 0.59 0.49 -0.23 1.90 1.79 -1.58 -0.99 116.57 118.54 2km6 h LYS 55 Ca 0.15 -0.05 -0.17 0.00 -2.18 0.00 0.00 60.65 58.40 2km6 h LYS 55 Cb 0.20 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 2km6 h LYS 55 CO -0.01 0.38 -0.53 1.25 -1.08 0.00 0.00 179.45 179.47 2km6 h LEU 56 N 0.49 0.87 -1.73 2.94 5.85 -1.49 -2.74 115.31 119.50 2km6 h LEU 56 Ca 0.13 -0.56 0.02 0.00 0.84 0.00 0.00 57.88 58.31 2km6 h LEU 56 Cb 0.06 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 2km6 h LEU 56 CO -0.02 1.27 0.21 0.00 -0.34 0.00 0.00 178.44 179.56 2km6 h ALA 57 N 0.63 1.84 -0.71 1.25 0.00 -0.76 -0.74 119.26 120.77 2km6 h ALA 57 Ca 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2km6 h ALA 57 Cb 1.14 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 2km6 h ALA 57 CO 0.12 0.13 0.26 1.49 0.00 0.00 0.00 179.25 181.25 2km6 h GLU 58 N 0.37 1.08 -0.08 0.00 4.81 -0.97 -1.93 114.58 117.85 2km6 h GLU 58 Ca 0.12 -0.21 -0.12 0.00 -0.13 0.00 0.00 59.36 59.02 2km6 h GLU 58 Cb 0.04 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 2km6 h GLU 58 CO -0.03 0.90 -0.49 0.82 -0.73 0.00 0.00 179.01 179.48 2km6 h ILE 59 N 1.03 1.35 0.06 2.32 2.04 -0.87 -0.25 117.51 123.19 2km6 h ILE 59 Ca 0.23 -1.71 -0.00 0.00 1.00 0.00 0.00 64.86 64.38 2km6 h ILE 59 Cb 0.24 1.83 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 2km6 h ILE 59 CO -0.02 0.51 -0.03 -0.07 0.00 0.00 0.00 178.15 178.54 2km6 h LEU 60 N 0.17 -0.07 0.00 1.44 -0.00 -0.92 -2.60 115.31 113.32 2km6 h LEU 60 Ca 0.01 -0.11 0.00 0.00 -0.00 0.00 0.00 57.88 57.78 2km6 h LEU 60 Cb 0.93 0.02 0.00 0.00 -0.00 0.00 0.00 40.66 41.61 2km6 h LEU 60 CO 0.07 0.07 0.00 1.33 -0.00 0.00 0.00 178.44 179.91 2km6 n VAL 61 N -5.07 0.33 0.08 1.22 0.24 -0.77 -0.30 118.33 114.06 2km6 n VAL 61 Ca -0.08 0.08 -0.17 0.00 -2.04 0.00 0.00 64.34 62.13 2km6 n VAL 61 Cb 0.11 -0.67 -0.09 0.00 -1.47 0.00 0.00 33.84 31.72 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 0.66 0.00 -1.34 -1.24 -0.78 -3.42 115.58 109.46 2km6 h ASN 62 Ca 0.00 -0.58 0.00 0.00 0.71 0.00 0.00 56.30 56.43 2km6 h ASN 62 Cb 0.40 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 39.25 2km6 h ASN 62 CO 0.00 1.40 -0.59 0.35 -1.29 0.00 0.00 177.43 177.29 2km6 n THR 63 N -3.74 1.22 -2.63 -3.57 -2.24 -1.00 -5.04 114.28 97.29 2km6 n THR 63 Ca -0.10 0.24 -0.37 0.00 -2.27 0.00 0.00 64.05 61.55 2km6 n THR 63 Cb 0.92 -2.01 -0.05 0.00 -2.10 0.00 0.00 70.33 67.09 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 -5.71 7.03 0.23 3.42 0.01 0.59 -4.88 113.70 114.40 2km6 s SER 64 Ca -0.17 1.99 -0.30 0.00 1.31 0.00 0.00 55.95 58.78 2km6 s SER 64 Cb 0.02 -2.59 -0.09 0.00 0.21 0.00 0.00 66.02 63.58 2km6 s SER 64 CO 0.26 -0.29 1.08 -0.44 0.41 0.00 0.00 173.24 174.25 2km6 s SER 65 N -1.51 7.32 0.33 2.44 0.01 -1.26 -4.49 113.70 116.54 2km6 s SER 65 Ca 0.53 2.15 0.07 0.00 1.31 0.00 0.00 55.95 60.02 2km6 s SER 65 Cb -0.22 -2.61 0.77 0.00 0.21 0.00 0.00 66.02 64.16 2km6 s SER 65 CO 0.27 -0.13 1.84 1.05 0.41 0.00 0.00 173.24 176.68 2km6 h GLU 66 N 4.40 0.73 0.00 12.44 4.11 -1.95 0.12 114.58 134.44 2km6 h GLU 66 Ca -0.45 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 58.93 2km6 h GLU 66 Cb 1.21 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.30 2km6 h GLU 66 CO 0.69 0.48 0.00 -0.97 0.07 0.00 0.00 179.01 179.29 2km6 h ASN 67 N 0.75 0.00 0.04 3.06 -0.00 -1.98 0.01 115.58 117.46 2km6 h ASN 67 Ca 0.49 0.00 -0.37 0.00 -0.00 0.00 0.00 56.30 56.42 2km6 h ASN 67 Cb 0.75 0.00 -0.04 0.00 -0.00 0.00 0.00 38.32 39.02 2km6 h ASN 67 CO -0.25 0.00 -2.11 1.87 -0.00 0.00 0.00 177.43 176.94 2km6 n TRP 68 N -2.67 0.63 -0.26 0.67 -0.00 0.16 -4.35 117.44 111.62 2km6 n TRP 68 Ca 0.01 0.17 0.02 0.00 -0.00 0.00 0.00 57.50 57.70 2km6 n TRP 68 Cb 0.24 -1.08 0.24 0.00 -0.00 0.00 0.00 31.31 30.71 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 -0.32 1.13 0.00 5.87 2.04 -0.17 -0.85 117.51 125.21 2km6 h ILE 69 Ca -0.51 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.00 2km6 h ILE 69 Cb 1.80 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 2km6 h ILE 69 CO -0.10 0.19 0.07 0.08 0.00 0.00 0.00 178.15 178.38 2km6 h ARG 70 N 1.02 0.00 0.00 2.37 0.11 -1.22 0.65 114.38 117.32 2km6 h ARG 70 Ca 0.33 0.00 -0.35 0.00 0.10 0.00 0.00 59.98 60.06 2km6 h ARG 70 Cb 0.04 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.06 2km6 h ARG 70 CO -0.10 0.00 -2.31 -1.71 0.10 0.00 0.00 179.97 175.95 2km6 n ASN 71 N -2.97 2.19 0.29 0.08 5.15 -0.64 -4.42 115.26 114.93 2km6 n ASN 71 Ca -0.03 -0.10 -0.18 0.00 -0.60 0.00 0.00 54.58 53.68 2km6 n ASN 71 Cb 0.13 -0.38 -0.10 0.00 -0.53 0.00 0.00 39.78 38.90 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 -0.06 -1.15 -0.74 5.20 0.00 -0.16 -1.98 119.26 120.38 2km6 h ALA 72 Ca -0.52 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.20 2km6 h ALA 72 Cb 1.78 0.72 -0.04 0.00 0.00 0.00 0.00 17.79 20.25 2km6 h ALA 72 CO -0.10 -1.18 0.46 0.00 0.00 0.00 0.00 179.25 178.44 2km6 h THR 73 N -0.99 1.20 -0.06 0.00 1.03 -1.19 -2.23 112.91 110.68 2km6 h THR 73 Ca -0.06 -0.42 0.03 0.00 -0.01 0.00 0.00 66.41 65.95 2km6 h THR 73 Cb 0.85 0.15 -0.04 0.00 -1.07 0.00 0.00 68.15 68.05 2km6 h THR 73 CO -0.06 0.21 -0.13 0.58 -0.01 0.00 0.00 175.52 176.10 2km6 h VAL 74 N 1.01 0.65 -0.42 0.00 2.07 -1.72 0.28 116.25 118.13 2km6 h VAL 74 Ca 0.27 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.76 2km6 h VAL 74 Cb -0.06 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 2km6 h VAL 74 CO -0.05 0.00 0.13 -1.13 0.02 0.00 0.00 177.57 176.54 2km6 h ASN 75 N -0.19 0.55 -0.47 0.57 -1.24 -1.03 0.20 115.58 113.97 2km6 h ASN 75 Ca 0.07 -0.07 -0.11 0.00 0.71 0.00 0.00 56.30 56.90 2km6 h ASN 75 Cb 0.29 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.18 2km6 h ASN 75 CO -0.18 0.53 -0.13 0.40 -1.29 0.00 0.00 177.43 176.76 2km6 h ILE 76 N 0.59 1.27 -0.72 2.57 1.08 -0.69 0.14 117.51 121.75 2km6 h ILE 76 Ca 0.14 -1.27 -0.04 0.00 -0.39 0.00 0.00 64.86 63.30 2km6 h ILE 76 Cb 0.18 1.12 -0.03 0.00 -3.07 0.00 0.00 36.82 35.02 2km6 h ILE 76 CO -0.01 0.44 0.27 -0.07 -0.69 0.00 0.00 178.15 178.09 2km6 h LEU 77 N 0.76 0.99 -1.05 1.44 4.07 0.07 -0.94 115.31 120.65 2km6 h LEU 77 Ca 0.12 -0.15 -0.05 0.00 0.08 0.00 0.00 57.88 57.88 2km6 h LEU 77 Cb 0.69 -0.26 -0.03 0.00 1.08 0.00 0.00 40.66 42.15 2km6 h LEU 77 CO 0.05 0.89 0.15 -0.33 -1.08 0.00 0.00 178.44 178.12 2km6 h GLU 78 N 1.05 0.83 0.00 1.13 5.08 -0.66 -1.12 114.58 120.89 2km6 h GLU 78 Ca 0.24 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.40 2km6 h GLU 78 Cb 0.22 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2km6 h GLU 78 CO -0.02 0.73 -0.22 0.93 -1.00 0.00 0.00 179.01 179.44 2km6 h GLU 79 N 0.80 0.00 -0.42 2.33 4.39 0.02 -2.47 114.58 119.23 2km6 h GLU 79 Ca 0.18 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.88 2km6 h GLU 79 Cb 0.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 2km6 h GLU 79 CO -0.01 0.22 0.00 -1.33 -1.16 0.00 0.00 179.01 176.73 2km6 n MET 80 N -3.72 1.98 -1.25 2.33 2.81 -0.43 -4.88 117.12 113.96 2km6 n MET 80 Ca -0.01 -1.51 -0.09 0.00 -1.81 0.00 0.00 57.70 54.27 2km6 n MET 80 Cb 0.33 -1.33 -0.04 0.00 -0.71 0.00 0.00 33.22 31.47 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 0.73 -4.63 -4.70 7.83 5.15 -0.93 -4.96 115.26 113.74 2km6 n ASN 81 Ca 0.14 0.22 -0.40 0.00 -0.60 0.00 0.00 54.58 53.93 2km6 n ASN 81 Cb 0.36 -2.90 -0.05 0.00 -0.53 0.00 0.00 39.78 36.66 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 -1.98 4.27 -0.05 1.20 1.43 -0.54 -4.89 118.68 118.12 2km6 s LEU 82 Ca 0.00 1.15 -0.05 0.00 -1.03 0.00 0.00 54.13 54.20 2km6 s LEU 82 Cb 0.00 -3.09 -0.03 0.00 0.03 0.00 0.00 46.19 43.09 2km6 s LEU 82 CO 0.00 -0.19 -0.12 0.35 0.23 0.00 0.00 176.35 176.62 2km6 n THR 83 N 4.08 0.81 -0.01 5.49 -2.24 -1.26 -4.23 114.28 116.92 2km6 n THR 83 Ca -0.00 0.04 -0.01 0.00 -2.27 0.00 0.00 64.05 61.82 2km6 n THR 83 Cb 0.51 -1.70 -0.00 0.00 -2.10 0.00 0.00 70.33 67.03 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 -0.32 -0.02 0.00 -0.78 9.09 -1.99 0.43 114.58 120.99 2km6 h GLU 84 Ca -0.14 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.26 2km6 h GLU 84 Cb 0.87 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.97 2km6 h GLU 84 CO -0.09 -0.01 -0.05 1.37 0.05 0.00 0.00 179.01 180.28 2km6 h LEU 85 N -0.02 0.00 -0.32 3.06 -0.00 -1.99 -2.90 115.31 113.13 2km6 h LEU 85 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.88 57.75 2km6 h LEU 85 Cb 0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.68 2km6 h LEU 85 CO -0.03 0.05 -0.33 0.00 -0.00 0.00 0.00 178.44 178.13 2km6 h LYS 87 N 0.57 0.00 -0.00 0.00 1.57 0.00 0.15 116.57 118.87 2km6 h LYS 87 Ca 0.05 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2km6 h LYS 87 Cb 0.92 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.23 2km6 h LYS 87 CO 0.08 0.11 -0.00 1.98 -0.57 0.00 0.00 179.45 181.05 2km6 h MET 88 N 0.00 0.00 -0.40 3.15 4.05 -1.22 -2.51 114.93 118.00 2km6 h MET 88 Ca -0.00 -0.00 0.02 0.00 -0.28 0.00 0.00 59.70 59.43 2km6 h MET 88 Cb 0.35 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.12 2km6 h MET 88 CO 0.01 0.48 0.24 0.00 0.23 0.00 0.00 176.91 177.87 2km6 h ALA 89 N 0.53 0.51 0.00 0.39 0.00 0.22 0.27 119.26 121.18 2km6 h ALA 89 Ca 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2km6 h ALA 89 Cb 0.48 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2km6 h ALA 89 CO 0.00 -0.09 -0.21 0.87 0.00 0.00 0.00 179.25 179.82 2km6 h LYS 90 N 0.49 0.00 0.00 0.00 1.57 -0.83 0.47 116.57 118.27 2km6 h LYS 90 Ca 0.16 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.66 2km6 h LYS 90 Cb -0.00 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.26 2km6 h LYS 90 CO -0.07 0.21 -1.71 0.00 -0.57 0.00 0.00 179.45 177.32 2km6 n ALA 91 N -2.38 1.56 -0.12 3.86 0.00 -0.84 -4.26 120.51 118.33 2km6 n ALA 91 Ca -0.02 -0.77 -0.20 0.00 0.00 0.00 0.00 53.44 52.45 2km6 n ALA 91 Cb 0.30 -0.83 -0.10 0.00 0.00 0.00 0.00 19.45 18.83 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 -3.00 0.54 0.09 0.00 1.02 0.91 -4.65 120.64 115.54 2km6 n GLU 92 Ca -0.17 0.17 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 2km6 n GLU 92 Cb 1.03 -1.41 -0.10 0.00 -0.02 0.00 0.00 31.44 30.95 2km6 n GLU 92 CO 0.00 0.00 0.00 1.98 1.18 0.00 0.00 177.13 180.29 2km6 h MET 93 N -0.39 0.22 -6.47 3.49 4.05 -0.24 -3.44 114.93 112.14 2km6 h MET 93 Ca -0.55 -0.32 -0.53 0.00 -0.28 0.00 0.00 59.70 58.01 2km6 h MET 93 Cb 1.67 0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 32.55 2km6 h MET 93 CO -0.21 1.11 0.10 -1.64 0.23 0.00 0.00 176.91 176.50 2km6 s MET 94 N -2.86 4.35 0.05 0.39 -1.94 -1.19 -4.78 119.30 113.32 2km6 s MET 94 Ca -0.03 0.94 -0.32 0.00 -1.71 0.00 0.00 55.69 54.57 2km6 s MET 94 Cb 0.08 -3.10 -0.11 0.00 2.01 0.00 0.00 34.83 33.71 2km6 s MET 94 CO 0.86 0.52 1.83 0.39 -0.01 0.00 0.00 175.02 178.60 2km6 n GLU 95 N 1.27 2.49 -2.16 2.03 4.71 -1.26 -4.85 120.64 122.87 2km6 n GLU 95 Ca -0.05 0.91 -0.38 0.00 -0.01 0.00 0.00 57.16 57.63 2km6 n GLU 95 Cb 0.50 -2.77 -0.00 0.00 -1.01 0.00 0.00 31.44 28.15 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 3.10 6.09 -0.77 1.62 2.15 -1.26 -4.98 116.67 122.62 2km6 s ASP 96 Ca 0.86 2.43 0.03 0.00 0.43 0.00 0.00 52.55 56.30 2km6 s ASP 96 Cb -0.58 -2.61 0.24 0.00 -0.30 0.00 0.00 42.92 39.67 2km6 s ASP 96 CO 0.43 -0.98 0.85 0.61 -0.17 0.00 0.00 175.17 175.91 2km6 n GLY 97 N 0.55 4.67 0.00 2.66 0.00 -1.26 -5.26 105.19 106.55 2km6 n GLY 97 Ca 0.07 -2.71 0.07 0.00 0.00 0.00 0.00 46.02 43.45 2km6 n GLY 97 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26