#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yz0 s SER 2 N 0.00 -0.07 -0.56 6.12 0.15 -1.26 -5.05 113.70 113.03 2yz0 s SER 2 Ca 0.00 0.08 0.01 0.00 0.70 0.00 0.00 55.95 56.74 2yz0 s SER 2 Cb 0.00 0.26 0.47 0.00 -1.71 0.00 0.00 66.02 65.04 2yz0 s SER 2 CO 0.00 -0.17 1.82 0.00 1.20 0.00 0.00 173.24 176.09 2yz0 n LEU 3 N 2.40 6.89 0.00 3.45 -0.00 -1.26 -4.83 117.00 123.65 2yz0 n LEU 3 Ca -0.17 -4.33 0.00 0.00 -0.00 0.00 0.00 56.01 51.51 2yz0 n LEU 3 Cb 0.58 -0.81 0.00 0.00 -0.00 0.00 0.00 43.42 43.18 2yz0 n LEU 3 CO 0.21 1.58 0.24 -1.54 -0.00 0.00 0.00 177.39 177.88 2yz0 n SER 4 N -0.90 0.00 -2.58 1.45 3.41 -1.26 -4.89 113.62 108.85 2yz0 n SER 4 Ca 0.57 0.48 -0.04 0.00 -0.26 0.00 0.00 58.87 59.62 2yz0 n SER 4 Cb 0.81 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.76 2yz0 n SER 4 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 2yz0 n HIS 5 N -0.75 -0.28 -2.77 7.33 -0.00 -1.26 -4.09 115.22 113.40 2yz0 n HIS 5 Ca 0.00 0.12 -0.02 0.00 -0.00 0.00 0.00 57.72 57.81 2yz0 n HIS 5 Cb 0.00 -0.83 -0.02 0.00 -0.00 0.00 0.00 29.99 29.14 2yz0 n HIS 5 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.34 176.23 2yz0 n LEU 6 N 0.93 -6.40 -3.83 0.27 0.00 -1.26 -5.06 117.00 101.65 2yz0 n LEU 6 Ca -0.01 1.64 -0.06 0.00 0.00 0.00 0.00 56.01 57.58 2yz0 n LEU 6 Cb 0.40 -2.93 -0.01 0.00 0.00 0.00 0.00 43.42 40.88 2yz0 n LEU 6 CO 0.06 -3.34 0.55 0.28 0.00 0.00 0.00 177.39 174.94 2yz0 s THR 7 N -0.98 0.00 0.19 1.96 -1.32 -1.26 -5.02 115.64 109.21 2yz0 s THR 7 Ca -0.12 -0.91 0.31 0.00 -1.21 0.00 0.00 61.69 59.76 2yz0 s THR 7 Cb 0.01 -2.22 0.34 0.00 -1.51 0.00 0.00 72.50 69.12 2yz0 s THR 7 CO 0.62 0.00 1.98 -0.07 -2.21 0.00 0.00 174.62 174.94 2yz0 h LEU 8 N 2.00 0.00 -1.66 9.08 3.38 -1.94 -2.97 115.31 123.19 2yz0 h LEU 8 Ca -0.23 0.00 0.25 0.00 0.09 0.00 0.00 57.88 57.99 2yz0 h LEU 8 Cb 1.24 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.93 2yz0 h LEU 8 CO 0.28 0.08 0.66 -0.78 0.09 0.00 0.00 178.44 178.76 2yz0 h ASP 9 N 0.00 0.26 -0.34 -0.43 3.58 -1.95 0.16 116.42 117.69 2yz0 h ASP 9 Ca -0.00 0.04 -0.15 0.00 0.42 0.00 0.00 57.03 57.33 2yz0 h ASP 9 Cb 0.52 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.56 2yz0 h ASP 9 CO 0.01 0.08 -0.39 1.56 -2.88 0.00 0.00 179.24 177.62 2yz0 h GLN 10 N 0.24 0.86 -0.43 0.28 1.08 -1.95 -2.92 115.11 112.28 2yz0 h GLN 10 Ca 0.50 -0.48 0.12 0.00 -1.45 0.00 0.00 58.65 57.35 2yz0 h GLN 10 Cb 1.53 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 28.97 2yz0 h GLN 10 CO -0.14 1.12 0.54 1.88 -0.95 0.00 0.00 178.83 181.28 2yz0 h TYR 11 N 0.66 0.00 -0.66 2.96 0.05 -0.85 0.21 116.97 119.33 2yz0 h TYR 11 Ca 0.05 0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.85 2yz0 h TYR 11 Cb 0.98 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.69 2yz0 h TYR 11 CO 0.07 0.00 0.44 1.88 -1.05 0.00 0.00 178.16 179.50 2yz0 h TYR 12 N 0.00 0.78 -0.71 4.88 0.05 -1.48 -1.84 116.97 118.65 2yz0 h TYR 12 Ca 0.20 0.02 0.00 0.00 0.05 0.00 0.00 58.73 59.00 2yz0 h TYR 12 Cb 1.29 -0.26 -0.03 0.00 1.01 0.00 0.00 36.73 38.73 2yz0 h TYR 12 CO 0.00 0.47 0.46 1.05 -1.05 0.00 0.00 178.16 179.08 2yz0 h GLU 13 N 0.82 0.94 -0.47 4.88 4.11 -0.76 -0.20 114.58 123.90 2yz0 h GLU 13 Ca 0.26 -0.07 -0.14 0.00 0.07 0.00 0.00 59.36 59.48 2yz0 h GLU 13 Cb 0.02 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 2yz0 h GLU 13 CO -0.07 0.64 -0.24 0.82 0.07 0.00 0.00 179.01 180.22 2yz0 h ILE 14 N 0.96 1.27 -0.13 -1.06 5.03 -1.49 -1.16 117.51 120.92 2yz0 h ILE 14 Ca 0.26 -1.41 -0.01 0.00 -0.12 0.00 0.00 64.86 63.57 2yz0 h ILE 14 Cb -0.09 1.16 -0.01 0.00 -3.03 0.00 0.00 36.82 34.86 2yz0 h ILE 14 CO -0.05 0.49 0.05 1.56 -0.68 0.00 0.00 178.15 179.51 2yz0 h GLN 15 N 0.85 0.20 -0.64 2.37 4.20 -0.99 -2.44 115.11 118.66 2yz0 h GLN 15 Ca 0.10 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.70 2yz0 h GLN 15 Cb 0.83 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.55 2yz0 h GLN 15 CO 0.07 0.32 0.12 0.00 -0.67 0.00 0.00 178.83 178.67 2yz0 h ASN 17 N 0.99 0.43 -0.53 0.00 -1.24 -1.06 -1.85 115.58 112.32 2yz0 h ASN 17 Ca 0.20 -0.01 -0.10 0.00 0.71 0.00 0.00 56.30 57.11 2yz0 h ASN 17 Cb 0.41 -0.10 -0.02 0.00 0.73 0.00 0.00 38.32 39.34 2yz0 h ASN 17 CO 0.01 0.30 -0.04 -0.33 -1.29 0.00 0.00 177.43 176.08 2yz0 h GLU 18 N 0.50 0.96 0.14 6.67 4.39 -1.03 0.76 114.58 126.97 2yz0 h GLU 18 Ca 0.18 -0.33 -0.01 0.00 0.34 0.00 0.00 59.36 59.54 2yz0 h GLU 18 Cb 0.09 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 2yz0 h GLU 18 CO -0.04 0.99 -0.07 -0.07 -1.16 0.00 0.00 179.01 178.66 2yz0 h LEU 19 N 0.83 -0.16 -0.83 1.33 3.38 -1.25 0.20 115.31 118.82 2yz0 h LEU 19 Ca 0.15 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.01 2yz0 h LEU 19 Cb 0.59 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 2yz0 h LEU 19 CO 0.04 -0.12 -0.32 1.05 0.09 0.00 0.00 178.44 179.17 2yz0 h GLU 20 N -0.19 0.50 0.05 1.13 4.11 -1.45 0.43 114.58 119.16 2yz0 h GLU 20 Ca -0.02 -0.22 -0.00 0.00 0.07 0.00 0.00 59.36 59.19 2yz0 h GLU 20 Cb 0.15 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2yz0 h GLU 20 CO 0.03 0.76 -0.03 0.00 0.07 0.00 0.00 179.01 179.85 2yz0 h ALA 21 N 1.23 -0.07 0.05 1.06 0.00 -0.56 -2.83 119.26 118.14 2yz0 h ALA 21 Ca 0.05 -0.08 -0.23 0.00 0.00 0.00 0.00 54.91 54.65 2yz0 h ALA 21 Cb 0.78 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 2yz0 h ALA 21 CO 0.06 -0.47 -1.03 0.82 0.00 0.00 0.00 179.25 178.63 2yz0 h ILE 22 N -0.21 1.48 -0.90 0.00 5.03 -0.93 -3.25 117.51 118.74 2yz0 h ILE 22 Ca -0.01 -2.78 0.20 0.00 -0.12 0.00 0.00 64.86 62.15 2yz0 h ILE 22 Cb 0.18 2.65 -0.07 0.00 -3.03 0.00 0.00 36.82 36.55 2yz0 h ILE 22 CO 0.01 0.81 0.59 0.03 -0.68 0.00 0.00 178.15 178.92 2yz0 h ARG 23 N 0.13 0.43 0.00 2.37 3.08 -0.10 0.41 114.38 120.70 2yz0 h ARG 23 Ca -0.08 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 59.87 2yz0 h ARG 23 Cb 1.71 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.65 2yz0 h ARG 23 CO 0.17 0.28 -0.33 0.77 -1.07 0.00 0.00 179.97 179.79 2yz0 h SER 24 N 0.44 0.00 0.10 7.04 0.02 -1.53 0.22 113.55 119.84 2yz0 h SER 24 Ca 0.47 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 61.19 2yz0 h SER 24 Cb 1.11 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.65 2yz0 h SER 24 CO -0.18 0.33 -1.12 0.40 -1.14 0.00 0.00 176.83 175.12 2yz0 h ILE 25 N 0.00 1.20 -1.46 3.27 2.04 -0.44 -3.37 117.51 118.75 2yz0 h ILE 25 Ca -0.00 -2.40 -0.66 0.00 1.00 0.00 0.00 64.86 62.80 2yz0 h ILE 25 Cb 0.62 2.84 -0.35 0.00 -0.74 0.00 0.00 36.82 39.18 2yz0 h ILE 25 CO 0.04 0.65 0.09 -1.22 0.00 0.00 0.00 178.15 177.72 2yz0 n TYR 26 N -4.09 3.13 -0.19 1.37 4.01 0.19 -4.85 117.16 116.74 2yz0 n TYR 26 Ca -0.22 -2.70 -0.11 0.00 -0.16 0.00 0.00 57.90 54.72 2yz0 n TYR 26 Cb 0.82 -0.70 -0.08 0.00 -0.31 0.00 0.00 39.34 39.06 2yz0 n TYR 26 CO 0.00 0.00 0.00 0.52 -0.46 0.00 0.00 176.86 176.92 2yz0 h MET 27 N 2.55 -0.21 0.00 -0.72 2.86 -0.73 0.33 114.93 119.01 2yz0 h MET 27 Ca 0.45 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 58.10 2yz0 h MET 27 Cb 0.72 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.43 2yz0 h MET 27 CO 1.14 -0.14 -0.26 0.38 1.06 0.00 0.00 176.91 179.09 2yz0 h ASP 28 N -0.22 0.00 -0.99 1.22 3.04 -1.88 -3.28 116.42 114.31 2yz0 h ASP 28 Ca 0.08 -0.01 -0.63 0.00 -3.24 0.00 0.00 57.03 53.23 2yz0 h ASP 28 Cb 0.44 0.00 -0.30 0.00 -1.04 0.00 0.00 39.33 38.43 2yz0 h ASP 28 CO -0.58 0.00 0.77 0.47 -2.04 0.00 0.00 179.24 177.87 2yz0 n ASP 29 N -2.88 6.52 -4.06 4.15 8.00 -0.31 -4.91 116.55 123.06 2yz0 n ASP 29 Ca 0.03 -3.74 -0.28 0.00 0.71 0.00 0.00 54.79 51.51 2yz0 n ASP 29 Cb 0.52 -0.93 -0.17 0.00 -0.02 0.00 0.00 41.12 40.53 2yz0 n ASP 29 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2yz0 s PHE 30 N -3.67 1.93 -0.08 1.24 5.36 0.10 -3.12 117.98 119.73 2yz0 s PHE 30 Ca 0.62 -0.87 0.04 0.00 -0.96 0.00 0.00 56.93 55.76 2yz0 s PHE 30 Cb 0.50 -1.39 -0.01 0.00 -0.34 0.00 0.00 43.02 41.78 2yz0 s PHE 30 CO 0.02 -0.44 -0.21 0.99 -1.46 0.00 0.00 175.22 174.12 2yz0 s THR 31 N 0.91 2.38 -0.33 0.12 2.01 -0.86 -4.98 115.64 114.89 2yz0 s THR 31 Ca -0.08 -0.93 -0.10 0.00 0.31 0.00 0.00 61.69 60.88 2yz0 s THR 31 Cb -0.15 -1.91 -0.00 0.00 0.01 0.00 0.00 72.50 70.44 2yz0 s THR 31 CO -0.00 0.56 0.18 -0.62 -0.69 0.00 0.00 174.62 174.05 2yz0 s ASP 32 N 0.02 5.66 0.00 3.53 2.15 -1.26 -1.36 116.67 125.41 2yz0 s ASP 32 Ca -0.08 -0.62 0.19 0.00 0.43 0.00 0.00 52.55 52.47 2yz0 s ASP 32 Cb -0.15 -2.03 -0.03 0.00 -0.30 0.00 0.00 42.92 40.41 2yz0 s ASP 32 CO 0.05 -0.25 0.92 0.00 -0.17 0.00 0.00 175.17 175.73 2yz0 n LEU 33 N 5.00 1.67 -3.86 -1.34 -0.00 -1.26 -4.95 117.00 112.27 2yz0 n LEU 33 Ca -0.13 -0.73 -0.55 0.00 -0.00 0.00 0.00 56.01 54.60 2yz0 n LEU 33 Cb 0.48 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.83 2yz0 n LEU 33 CO 0.35 0.32 0.87 0.41 -0.00 0.00 0.00 177.39 179.34 2yz0 n THR 34 N -0.26 0.00 -1.51 1.47 -1.04 -1.21 -4.49 114.28 107.24 2yz0 n THR 34 Ca 0.07 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.82 2yz0 n THR 34 Cb 0.38 -0.35 -0.18 0.00 -1.82 0.00 0.00 70.33 68.36 2yz0 n THR 34 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2yz0 n LYS 35 N 2.97 0.15 -2.39 -2.82 5.02 -1.26 -4.87 118.16 114.95 2yz0 n LYS 35 Ca 0.24 -0.13 -0.26 0.00 -2.02 0.00 0.00 58.31 56.15 2yz0 n LYS 35 Cb -0.03 -1.66 0.14 0.00 -0.02 0.00 0.00 35.03 33.46 2yz0 n LYS 35 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2yz0 s ARG 36 N 7.82 1.20 -0.09 1.97 1.81 -1.26 -4.76 118.95 125.64 2yz0 s ARG 36 Ca 1.25 -0.98 -0.37 0.00 -1.72 0.00 0.00 55.73 53.90 2yz0 s ARG 36 Cb -0.80 -2.17 -0.15 0.00 -0.45 0.00 0.00 34.95 31.38 2yz0 s ARG 36 CO 0.46 -1.86 1.62 1.63 -0.68 0.00 0.00 175.30 176.47 2yz0 n LYS 37 N -3.19 1.42 -3.15 3.54 5.02 -1.26 -4.85 118.16 115.69 2yz0 n LYS 37 Ca 0.16 0.52 0.00 0.00 -2.02 0.00 0.00 58.31 56.97 2yz0 n LYS 37 Cb 0.60 -2.22 0.00 0.00 -0.02 0.00 0.00 35.03 33.39 2yz0 n LYS 37 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2yz0 n SER 38 N 4.46 0.00 -3.81 4.39 2.88 -1.26 -5.11 113.62 115.16 2yz0 n SER 38 Ca 0.22 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.46 2yz0 n SER 38 Cb 0.19 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.51 2yz0 n SER 38 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2yz0 s SER 39 N -4.00 4.11 0.00 -3.46 0.01 -1.26 -4.77 113.70 104.33 2yz0 s SER 39 Ca 0.00 -2.15 0.00 0.00 1.31 0.00 0.00 55.95 55.11 2yz0 s SER 39 Cb 0.00 -1.15 0.00 0.00 0.21 0.00 0.00 66.02 65.08 2yz0 s SER 39 CO 0.00 -0.35 0.00 -2.67 0.41 0.00 0.00 173.24 170.63 2yz0 n TRP 40 N 4.19 0.00 0.00 2.43 2.14 -1.26 -5.15 117.44 119.79 2yz0 n TRP 40 Ca 0.03 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.60 2yz0 n TRP 40 Cb 0.39 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.89 2yz0 n TRP 40 CO 0.00 0.00 0.00 -3.47 2.07 0.00 0.00 177.69 176.29 2yz0 n ASP 41 N 0.00 0.00 -3.19 -0.67 -0.08 -1.26 -5.10 116.55 106.25 2yz0 n ASP 41 Ca 0.00 0.00 -0.23 0.00 -1.51 0.00 0.00 54.79 53.05 2yz0 n ASP 41 Cb 0.00 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.39 2yz0 n ASP 41 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2yz0 n LYS 42 N -0.09 0.61 -2.72 -0.67 5.02 -1.26 -4.85 118.16 114.21 2yz0 n LYS 42 Ca 0.00 -3.09 -0.09 0.00 -2.02 0.00 0.00 58.31 53.11 2yz0 n LYS 42 Cb 0.00 -1.32 0.06 0.00 -0.02 0.00 0.00 35.03 33.76 2yz0 n LYS 42 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2yz0 n GLN 43 N 1.72 1.15 0.00 1.97 6.02 -1.26 -5.13 117.38 121.84 2yz0 n GLN 43 Ca 0.22 -2.62 0.00 0.00 -0.01 0.00 0.00 57.00 54.59 2yz0 n GLN 43 Cb 0.53 -0.79 0.00 0.00 1.02 0.00 0.00 30.24 31.00 2yz0 n GLN 43 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 2yz0 n PRO 44 N -0.23 0.09 -1.37 -1.09 -0.04 -1.26 -5.03 135.00 126.08 2yz0 n PRO 44 Ca 0.05 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.51 2yz0 n PRO 44 Cb 0.81 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.28 2yz0 n PRO 44 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2yz0 n GLN 45 N -0.68 0.05 0.00 0.54 10.64 -1.26 -4.95 117.38 121.71 2yz0 n GLN 45 Ca 0.00 -0.05 0.00 0.00 -1.83 0.00 0.00 57.00 55.12 2yz0 n GLN 45 Cb 0.00 0.10 0.00 0.00 -0.86 0.00 0.00 30.24 29.48 2yz0 n GLN 45 CO 0.00 0.00 0.00 1.51 -1.83 0.00 0.00 177.06 176.74 2yz0 n ILE 46 N -0.06 0.00 -0.85 -0.39 0.13 -1.26 -4.54 119.36 112.39 2yz0 n ILE 46 Ca -0.01 0.00 -0.28 0.00 -1.10 0.00 0.00 62.75 61.36 2yz0 n ILE 46 Cb 0.47 0.00 -0.01 0.00 -0.84 0.00 0.00 39.64 39.26 2yz0 n ILE 46 CO 0.00 0.00 0.00 2.30 2.80 0.00 0.00 176.55 181.65 2yz0 n ILE 47 N -1.11 0.81 -3.90 9.51 -0.00 -1.26 -4.82 119.36 118.59 2yz0 n ILE 47 Ca 0.00 -0.32 -0.09 0.00 -0.00 0.00 0.00 62.75 62.34 2yz0 n ILE 47 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 39.64 39.63 2yz0 n ILE 47 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.55 177.27 2yz0 s PHE 48 N -0.87 0.19 0.25 4.28 -0.71 -1.11 -3.31 117.98 116.70 2yz0 s PHE 48 Ca 0.39 -0.69 0.09 0.00 -1.04 0.00 0.00 56.93 55.69 2yz0 s PHE 48 Cb -0.49 0.56 -0.05 0.00 -1.21 0.00 0.00 43.02 41.83 2yz0 s PHE 48 CO 0.38 -1.31 -0.15 -1.21 -1.34 0.00 0.00 175.22 171.59 2yz0 s GLU 49 N -3.22 1.53 -0.03 1.99 2.02 -0.46 -2.63 118.70 117.89 2yz0 s GLU 49 Ca 0.17 -1.71 0.00 0.00 0.02 0.00 0.00 54.97 53.46 2yz0 s GLU 49 Cb -0.04 -1.41 0.03 0.00 0.10 0.00 0.00 34.13 32.81 2yz0 s GLU 49 CO 0.11 0.21 0.01 0.42 0.02 0.00 0.00 175.26 176.03 2yz0 s ILE 50 N -2.78 0.14 -0.20 -1.63 -1.09 -1.18 -2.03 121.20 112.43 2yz0 s ILE 50 Ca 0.27 0.11 -0.26 0.00 -2.23 0.00 0.00 60.65 58.55 2yz0 s ILE 50 Cb -0.01 -0.25 -0.01 0.00 -1.58 0.00 0.00 42.46 40.61 2yz0 s ILE 50 CO 0.11 0.14 0.86 -0.89 -1.23 0.00 0.00 174.94 173.93 2yz0 s THR 51 N 1.08 4.84 0.34 2.92 2.01 -1.18 -2.59 115.64 123.05 2yz0 s THR 51 Ca -0.09 1.66 0.08 0.00 0.31 0.00 0.00 61.69 63.65 2yz0 s THR 51 Cb -0.13 -4.15 -0.07 0.00 0.01 0.00 0.00 72.50 68.16 2yz0 s THR 51 CO -0.02 -0.03 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.05 2yz0 s LEU 52 N 2.52 2.68 -0.19 4.42 1.43 -0.81 -4.87 118.68 123.86 2yz0 s LEU 52 Ca 0.38 -1.24 -0.36 0.00 -1.03 0.00 0.00 54.13 51.89 2yz0 s LEU 52 Cb -0.16 -0.88 0.15 0.00 0.03 0.00 0.00 46.19 45.33 2yz0 s LEU 52 CO 0.10 -0.29 1.40 0.00 0.23 0.00 0.00 176.35 177.78 2yz0 s ARG 53 N -3.67 0.05 1.13 1.70 1.70 -1.26 -2.10 118.95 116.51 2yz0 s ARG 53 Ca 0.33 -0.02 -0.12 0.00 -0.47 0.00 0.00 55.73 55.44 2yz0 s ARG 53 Cb 0.04 0.02 0.27 0.00 -0.57 0.00 0.00 34.95 34.71 2yz0 s ARG 53 CO 0.16 -0.02 1.04 -1.12 -1.08 0.00 0.00 175.30 174.28 2yz0 s SER 54 N -2.49 1.19 0.34 -2.89 0.01 -0.36 -4.92 113.70 104.56 2yz0 s SER 54 Ca 0.13 1.64 0.18 0.00 1.31 0.00 0.00 55.95 59.21 2yz0 s SER 54 Cb 0.03 -2.36 0.36 0.00 0.21 0.00 0.00 66.02 64.26 2yz0 s SER 54 CO -0.04 -4.09 1.58 -0.37 0.41 0.00 0.00 173.24 170.72 2yz0 h VAL 55 N -2.55 0.76 -4.18 3.43 -1.51 -1.89 -3.46 116.25 106.85 2yz0 h VAL 55 Ca -0.59 -1.81 -0.14 0.00 -1.23 0.00 0.00 66.70 62.93 2yz0 h VAL 55 Cb 1.32 2.18 -0.03 0.00 -2.13 0.00 0.00 31.29 32.64 2yz0 h VAL 55 CO 0.49 0.39 -0.10 -0.67 -1.23 0.00 0.00 177.57 176.45 2yz0 n ASP 56 N -3.30 2.23 -0.00 4.19 -0.08 -1.26 -5.07 116.55 113.25 2yz0 n ASP 56 Ca 0.01 -1.46 0.02 0.00 -1.51 0.00 0.00 54.79 51.85 2yz0 n ASP 56 Cb 0.62 0.08 -0.03 0.00 2.34 0.00 0.00 41.12 44.13 2yz0 n ASP 56 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2yz0 n LYS 57 N -0.26 0.30 -4.66 -0.67 4.76 -1.25 -4.37 118.16 112.01 2yz0 n LYS 57 Ca -0.04 -0.04 -0.31 0.00 -2.87 0.00 0.00 58.31 55.05 2yz0 n LYS 57 Cb 0.13 -1.10 -0.12 0.00 -1.84 0.00 0.00 35.03 32.10 2yz0 n LYS 57 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2yz0 s GLU 58 N -2.29 2.20 0.22 1.97 -1.05 -1.26 -1.58 118.70 116.91 2yz0 s GLU 58 Ca -0.02 -0.91 0.22 0.00 -0.15 0.00 0.00 54.97 54.12 2yz0 s GLU 58 Cb 0.03 -2.26 0.92 0.00 -0.44 0.00 0.00 34.13 32.38 2yz0 s GLU 58 CO 0.18 0.56 1.67 -0.35 0.95 0.00 0.00 175.26 178.26 2yz0 n PRO 59 N 1.64 0.16 -4.08 -4.83 -0.04 -1.26 -4.95 135.00 121.64 2yz0 n PRO 59 Ca -0.16 0.40 -0.11 0.00 -0.04 0.00 0.00 63.50 63.59 2yz0 n PRO 59 Cb 0.52 -1.81 -0.07 0.00 -0.04 0.00 0.00 33.50 32.10 2yz0 n PRO 59 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2yz0 s VAL 60 N -3.27 0.00 -0.12 0.52 -7.23 -0.62 -5.06 120.40 104.63 2yz0 s VAL 60 Ca 0.05 -1.63 0.14 0.00 -1.81 0.00 0.00 61.98 58.72 2yz0 s VAL 60 Cb 0.09 -2.36 -0.21 0.00 0.56 0.00 0.00 36.38 34.46 2yz0 s VAL 60 CO 0.37 0.00 0.35 -1.84 -0.31 0.00 0.00 175.10 173.67 2yz0 n GLU 61 N -0.37 0.75 -2.20 4.82 0.28 -1.14 -3.86 120.64 118.92 2yz0 n GLU 61 Ca 0.00 -0.11 0.00 0.00 -0.16 0.00 0.00 57.16 56.89 2yz0 n GLU 61 Cb 0.63 -1.31 0.00 0.00 1.43 0.00 0.00 31.44 32.20 2yz0 n GLU 61 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2yz0 n SER 62 N -1.88 -4.21 -4.45 -1.84 7.64 -1.26 -1.23 113.62 106.39 2yz0 n SER 62 Ca -0.02 0.27 -0.35 0.00 1.01 0.00 0.00 58.87 59.78 2yz0 n SER 62 Cb 0.34 -1.00 -0.12 0.00 -1.01 0.00 0.00 64.21 62.42 2yz0 n SER 62 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2yz0 s SER 63 N -0.60 4.93 -0.02 6.43 0.15 -1.26 -2.52 113.70 120.80 2yz0 s SER 63 Ca 0.00 -0.20 0.02 0.00 0.70 0.00 0.00 55.95 56.47 2yz0 s SER 63 Cb 0.00 -1.86 0.01 0.00 -1.71 0.00 0.00 66.02 62.46 2yz0 s SER 63 CO 0.00 0.03 -0.06 -0.63 1.20 0.00 0.00 173.24 173.79 2yz0 s ILE 64 N 1.19 0.52 -0.32 6.45 1.01 -0.89 -2.93 121.20 126.22 2yz0 s ILE 64 Ca 0.03 -0.20 -0.09 0.00 0.00 0.00 0.00 60.65 60.39 2yz0 s ILE 64 Cb -0.14 -0.49 0.00 0.00 0.01 0.00 0.00 42.46 41.84 2yz0 s ILE 64 CO 0.02 0.18 0.15 -0.89 0.00 0.00 0.00 174.94 174.40 2yz0 s THR 65 N 0.32 4.50 -0.44 2.92 2.01 -1.19 -1.92 115.64 121.83 2yz0 s THR 65 Ca -0.04 -0.54 -0.21 0.00 0.31 0.00 0.00 61.69 61.21 2yz0 s THR 65 Cb -0.08 -3.33 0.03 0.00 0.01 0.00 0.00 72.50 69.12 2yz0 s THR 65 CO -0.00 0.02 0.66 -0.76 -0.69 0.00 0.00 174.62 173.85 2yz0 s LEU 66 N 1.58 4.49 -0.45 4.42 1.43 -1.07 -1.81 118.68 127.27 2yz0 s LEU 66 Ca 0.04 -0.34 -0.22 0.00 -1.03 0.00 0.00 54.13 52.58 2yz0 s LEU 66 Cb -0.17 -2.75 0.03 0.00 0.03 0.00 0.00 46.19 43.33 2yz0 s LEU 66 CO 0.06 -0.81 0.72 -2.28 0.23 0.00 0.00 176.35 174.27 2yz0 s HIS 67 N 2.88 3.02 -0.10 0.29 5.65 -0.66 -3.11 115.29 123.25 2yz0 s HIS 67 Ca 0.23 0.01 -0.04 0.00 0.25 0.00 0.00 55.06 55.51 2yz0 s HIS 67 Cb -0.14 -3.53 -0.04 0.00 -1.18 0.00 0.00 32.58 27.69 2yz0 s HIS 67 CO 0.19 -0.96 0.05 -0.06 -0.65 0.00 0.00 174.74 173.32 2yz0 s PHE 68 N 3.07 3.32 -0.10 3.88 0.40 -1.08 -2.80 117.98 124.68 2yz0 s PHE 68 Ca 0.26 0.31 0.03 0.00 -0.60 0.00 0.00 56.93 56.93 2yz0 s PHE 68 Cb -0.13 -1.85 0.00 0.00 0.51 0.00 0.00 43.02 41.54 2yz0 s PHE 68 CO 0.20 0.55 -0.21 0.00 0.70 0.00 0.00 175.22 176.46 2yz0 s ALA 69 N -0.88 1.99 -0.50 5.36 0.00 -0.66 -2.77 121.76 124.30 2yz0 s ALA 69 Ca 0.13 -0.87 -0.15 0.00 0.00 0.00 0.00 51.96 51.07 2yz0 s ALA 69 Cb -0.12 -0.78 0.10 0.00 0.00 0.00 0.00 23.12 22.32 2yz0 s ALA 69 CO 0.03 0.21 0.43 -1.64 0.00 0.00 0.00 175.76 174.79 2yz0 s MET 70 N 0.47 2.94 0.93 0.00 -1.94 -1.26 -3.23 119.30 117.21 2yz0 s MET 70 Ca -0.17 -1.54 -0.11 0.00 -1.71 0.00 0.00 55.69 52.17 2yz0 s MET 70 Cb -0.17 -4.18 0.13 0.00 2.01 0.00 0.00 34.83 32.62 2yz0 s MET 70 CO 0.07 -1.17 1.02 0.25 -0.01 0.00 0.00 175.02 175.17 2yz0 n THR 71 N 5.20 0.00 0.87 2.05 -2.24 -1.26 -4.72 114.28 114.18 2yz0 n THR 71 Ca -0.13 -0.04 0.08 0.00 -2.27 0.00 0.00 64.05 61.69 2yz0 n THR 71 Cb 0.42 -0.93 0.43 0.00 -2.10 0.00 0.00 70.33 68.14 2yz0 n THR 71 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2yz0 n PRO 72 N -3.83 0.38 -0.00 -0.78 -0.04 -1.26 -2.28 135.00 127.20 2yz0 n PRO 72 Ca 0.11 0.06 0.01 0.00 -0.04 0.00 0.00 63.50 63.64 2yz0 n PRO 72 Cb 0.52 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.46 2yz0 n PRO 72 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 2yz0 n MET 73 N -1.11 1.12 -0.65 0.54 0.00 -1.26 -4.83 117.12 110.94 2yz0 n MET 73 Ca 0.10 -0.02 -0.31 0.00 -0.00 0.00 0.00 57.70 57.47 2yz0 n MET 73 Cb 0.08 -0.99 0.18 0.00 0.00 0.00 0.00 33.22 32.49 2yz0 n MET 73 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 175.97 176.95 2yz0 n TYR 74 N -1.50 -0.01 0.74 1.12 4.19 -0.96 -1.94 117.16 118.80 2yz0 n TYR 74 Ca -0.00 0.25 0.07 0.00 3.31 0.00 0.00 57.90 61.53 2yz0 n TYR 74 Cb 0.06 -1.89 0.39 0.00 0.49 0.00 0.00 39.34 38.39 2yz0 n TYR 74 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 2yz0 n PRO 75 N -3.96 0.25 -0.32 2.98 -0.04 -1.26 -4.84 135.00 127.81 2yz0 n PRO 75 Ca 0.09 0.12 -0.08 0.00 -0.04 0.00 0.00 63.50 63.59 2yz0 n PRO 75 Cb 0.53 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.41 2yz0 n PRO 75 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 2yz0 n TYR 76 N -1.24 -0.33 -1.84 0.54 4.19 -0.82 -4.50 117.16 113.15 2yz0 n TYR 76 Ca 0.08 0.95 -0.01 0.00 3.31 0.00 0.00 57.90 62.22 2yz0 n TYR 76 Cb 0.11 -0.56 0.01 0.00 0.49 0.00 0.00 39.34 39.39 2yz0 n TYR 76 CO 0.00 0.00 0.00 0.25 0.91 0.00 0.00 176.86 178.02 2yz0 n THR 77 N -4.89 0.00 -3.84 2.97 -2.24 -1.25 -5.07 114.28 99.96 2yz0 n THR 77 Ca 0.02 -0.08 -0.36 0.00 -2.27 0.00 0.00 64.05 61.35 2yz0 n THR 77 Cb 0.20 -1.57 -0.12 0.00 -2.10 0.00 0.00 70.33 66.74 2yz0 n THR 77 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2yz0 s ALA 78 N -3.21 3.25 1.00 6.98 0.00 -1.26 -4.70 121.76 123.82 2yz0 s ALA 78 Ca 0.04 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 50.99 2yz0 s ALA 78 Cb -0.00 -2.05 0.00 0.00 0.00 0.00 0.00 23.12 21.06 2yz0 s ALA 78 CO 0.03 -0.29 0.00 -0.35 0.00 0.00 0.00 175.76 175.15 2yz0 n PRO 79 N 4.51 -0.10 -4.65 0.00 -0.04 -1.26 -4.93 135.00 128.52 2yz0 n PRO 79 Ca -0.16 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.07 2yz0 n PRO 79 Cb 0.52 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.83 2yz0 n PRO 79 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2yz0 s GLU 80 N -1.64 1.21 -0.01 0.54 2.12 -1.20 -4.97 118.70 114.76 2yz0 s GLU 80 Ca 0.00 -0.64 0.01 0.00 0.36 0.00 0.00 54.97 54.69 2yz0 s GLU 80 Cb 0.00 -1.20 0.00 0.00 0.26 0.00 0.00 34.13 33.19 2yz0 s GLU 80 CO 0.00 0.32 -0.02 0.42 -0.54 0.00 0.00 175.26 175.45 2yz0 s ILE 81 N -0.51 0.15 -0.06 -3.70 -1.09 -1.25 -1.65 121.20 113.09 2yz0 s ILE 81 Ca 0.05 -0.05 -0.11 0.00 -2.23 0.00 0.00 60.65 58.32 2yz0 s ILE 81 Cb -0.07 -0.16 0.02 0.00 -1.58 0.00 0.00 42.46 40.68 2yz0 s ILE 81 CO 0.00 0.06 0.26 -1.83 -1.23 0.00 0.00 174.94 172.20 2yz0 s GLU 82 N 0.16 0.45 -0.03 2.79 -1.05 -1.12 -4.97 118.70 114.92 2yz0 s GLU 82 Ca -0.01 0.08 -0.13 0.00 -0.15 0.00 0.00 54.97 54.76 2yz0 s GLU 82 Cb -0.03 0.21 -0.05 0.00 -0.44 0.00 0.00 34.13 33.81 2yz0 s GLU 82 CO -0.00 -0.09 0.33 -0.06 0.95 0.00 0.00 175.26 176.38 2yz0 s PHE 83 N -0.56 3.69 0.43 4.83 0.40 -1.26 -1.66 117.98 123.85 2yz0 s PHE 83 Ca -0.07 0.86 0.03 0.00 -0.60 0.00 0.00 56.93 57.16 2yz0 s PHE 83 Cb -0.04 -2.20 -0.04 0.00 0.51 0.00 0.00 43.02 41.26 2yz0 s PHE 83 CO 0.02 0.66 0.05 0.15 0.70 0.00 0.00 175.22 176.80 2yz0 s LYS 84 N -1.04 1.97 0.00 0.44 -0.14 -0.75 -4.90 119.74 115.32 2yz0 s LYS 84 Ca 0.21 -2.19 0.00 0.00 -1.36 0.00 0.00 55.97 52.63 2yz0 s LYS 84 Cb -0.15 -1.14 0.00 0.00 -1.68 0.00 0.00 37.83 34.86 2yz0 s LYS 84 CO 0.11 -0.31 0.00 0.09 -0.76 0.00 0.00 175.35 174.47 2yz0 n ASN 85 N -1.12 0.00 -2.94 2.83 3.02 -1.26 -3.19 115.26 112.60 2yz0 n ASN 85 Ca -0.10 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.35 2yz0 n ASN 85 Cb 0.66 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.84 2yz0 n ASN 85 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 2yz0 n VAL 86 N 0.00 -2.21 -0.01 2.41 0.24 -1.15 -4.96 118.33 112.65 2yz0 n VAL 86 Ca 0.00 0.32 -0.01 0.00 -2.04 0.00 0.00 64.34 62.62 2yz0 n VAL 86 Cb 0.00 -2.74 -0.00 0.00 -1.47 0.00 0.00 33.84 29.63 2yz0 n VAL 86 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2yz0 n GLN 87 N 0.79 0.04 -0.75 7.34 10.64 -1.25 -4.57 117.38 129.62 2yz0 n GLN 87 Ca -0.02 0.05 -0.08 0.00 -1.83 0.00 0.00 57.00 55.12 2yz0 n GLN 87 Cb 0.48 -0.61 -0.02 0.00 -0.86 0.00 0.00 30.24 29.23 2yz0 n GLN 87 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 2yz0 n ASN 88 N -2.64 5.71 -4.06 2.61 3.02 -1.26 -4.44 115.26 114.20 2yz0 n ASN 88 Ca -0.01 -2.65 -0.15 0.00 -0.03 0.00 0.00 54.58 51.73 2yz0 n ASN 88 Cb 0.04 -1.16 -0.13 0.00 -0.61 0.00 0.00 39.78 37.92 2yz0 n ASN 88 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2yz0 s VAL 89 N -0.61 0.66 0.00 2.41 1.01 -1.26 -4.76 120.40 117.84 2yz0 s VAL 89 Ca 0.23 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.34 2yz0 s VAL 89 Cb 0.14 -0.65 0.00 0.00 0.00 0.00 0.00 36.38 35.87 2yz0 s VAL 89 CO -0.02 -0.18 0.00 0.23 0.00 0.00 0.00 175.10 175.14 2yz0 n MET 90 N 1.90 0.00 0.00 2.72 2.81 -1.26 -5.04 117.12 118.24 2yz0 n MET 90 Ca -0.19 0.08 0.00 0.00 -1.81 0.00 0.00 57.70 55.78 2yz0 n MET 90 Cb 0.55 -0.54 0.00 0.00 -0.71 0.00 0.00 33.22 32.53 2yz0 n MET 90 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 2yz0 n ASP 91 N -2.31 0.00 -0.15 7.83 5.68 -1.26 -4.98 116.55 121.36 2yz0 n ASP 91 Ca 0.00 0.00 -0.04 0.00 -0.50 0.00 0.00 54.79 54.25 2yz0 n ASP 91 Cb 0.00 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 40.03 2yz0 n ASP 91 CO 0.00 0.00 0.00 -1.28 -1.33 0.00 0.00 177.20 174.59 2yz0 h SER 92 N 0.00 0.21 -0.31 -1.12 0.87 -1.99 0.30 113.55 111.50 2yz0 h SER 92 Ca 0.00 0.05 -0.16 0.00 -1.23 0.00 0.00 61.79 60.45 2yz0 h SER 92 Cb 0.00 0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 61.98 2yz0 h SER 92 CO 0.00 0.15 -0.44 0.06 -0.53 0.00 0.00 176.83 176.07 2yz0 h GLN 93 N 0.37 0.85 -0.20 2.24 3.07 -1.99 -2.23 115.11 117.22 2yz0 h GLN 93 Ca 0.22 -0.49 0.03 0.00 0.09 0.00 0.00 58.65 58.49 2yz0 h GLN 93 Cb 0.21 0.04 -0.03 0.00 0.08 0.00 0.00 27.48 27.78 2yz0 h GLN 93 CO -0.21 1.13 0.04 -0.07 0.09 0.00 0.00 178.83 179.81 2yz0 h LEU 94 N 0.63 0.02 -1.12 0.06 3.38 -1.82 -2.07 115.31 114.39 2yz0 h LEU 94 Ca 0.03 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 2yz0 h LEU 94 Cb 1.03 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 2yz0 h LEU 94 CO 0.10 0.04 -0.17 1.56 0.09 0.00 0.00 178.44 180.06 2yz0 h GLN 95 N 0.12 0.42 -0.67 1.13 1.08 -0.97 -2.64 115.11 113.59 2yz0 h GLN 95 Ca 0.09 -0.13 0.01 0.00 -1.45 0.00 0.00 58.65 57.18 2yz0 h GLN 95 Cb 0.08 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.44 2yz0 h GLN 95 CO -0.12 0.58 0.44 0.00 -0.95 0.00 0.00 178.83 178.79 2yz0 h MET 96 N 0.39 0.85 -0.36 1.46 -0.00 -0.74 -2.30 114.93 114.22 2yz0 h MET 96 Ca 0.07 -0.05 -0.12 0.00 -0.00 0.00 0.00 59.70 59.60 2yz0 h MET 96 Cb 0.52 -0.19 -0.01 0.00 -0.00 0.00 0.00 31.60 31.92 2yz0 h MET 96 CO 0.03 0.56 -0.25 -0.07 -0.00 0.00 0.00 176.91 177.18 2yz0 h LEU 97 N 0.88 0.85 -1.34 -0.10 3.38 -1.05 -2.99 115.31 114.93 2yz0 h LEU 97 Ca 0.25 -0.43 0.12 0.00 0.09 0.00 0.00 57.88 57.91 2yz0 h LEU 97 Cb -0.06 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.39 2yz0 h LEU 97 CO -0.06 1.10 0.54 0.11 0.09 0.00 0.00 178.44 180.23 2yz0 h LYS 98 N 0.61 0.66 -0.36 1.13 1.79 -1.30 0.17 116.57 119.28 2yz0 h LYS 98 Ca 0.07 -0.04 -0.08 0.00 -2.18 0.00 0.00 60.65 58.42 2yz0 h LYS 98 Cb 0.82 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 31.31 2yz0 h LYS 98 CO 0.07 0.44 -0.09 0.77 -1.08 0.00 0.00 179.45 179.56 2yz0 h SER 99 N 0.68 0.69 0.88 0.86 0.02 -1.37 -2.90 113.55 112.43 2yz0 h SER 99 Ca 0.40 -0.37 -0.07 0.00 -0.84 0.00 0.00 61.79 60.92 2yz0 h SER 99 Cb 0.61 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 2yz0 h SER 99 CO -0.17 0.90 -0.31 -0.33 -1.14 0.00 0.00 176.83 175.78 2yz0 h GLU 100 N 0.48 0.00 -0.03 3.45 3.07 -1.13 -2.92 114.58 117.50 2yz0 h GLU 100 Ca 0.09 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.96 2yz0 h GLU 100 Cb 0.60 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.51 2yz0 h GLU 100 CO 0.04 0.31 0.03 0.74 -1.40 0.00 0.00 179.01 178.73 2yz0 h PHE 101 N 0.00 0.00 -0.20 4.33 -1.00 -0.49 -1.10 116.94 118.48 2yz0 h PHE 101 Ca -0.00 0.00 -0.17 0.00 2.81 0.00 0.00 57.97 60.61 2yz0 h PHE 101 Cb 0.84 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.40 2yz0 h PHE 101 CO 0.00 0.00 -0.53 -0.22 -1.61 0.00 0.00 178.31 175.95 2yz0 h LYS 102 N 0.00 0.71 -0.33 1.51 3.64 -1.56 -2.24 116.57 118.29 2yz0 h LYS 102 Ca 0.02 -0.50 -0.16 0.00 -1.27 0.00 0.00 60.65 58.73 2yz0 h LYS 102 Cb 0.08 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2yz0 h LYS 102 CO -0.00 1.12 -0.43 -0.22 -2.27 0.00 0.00 179.45 177.65 2yz0 h LYS 103 N 0.41 0.88 -0.25 1.90 3.11 -1.45 -2.15 116.57 119.03 2yz0 h LYS 103 Ca -0.01 -0.50 -0.01 0.00 -2.81 0.00 0.00 60.65 57.32 2yz0 h LYS 103 Cb 1.15 0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 32.41 2yz0 h LYS 103 CO 0.12 1.14 0.12 0.82 -2.81 0.00 0.00 179.45 178.84 2yz0 h ILE 104 N 0.68 1.15 -0.74 2.00 2.04 -1.27 -2.14 117.51 119.22 2yz0 h ILE 104 Ca 0.04 -0.42 -0.04 0.00 1.00 0.00 0.00 64.86 65.44 2yz0 h ILE 104 Cb 1.03 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 38.05 2yz0 h ILE 104 CO 0.10 0.15 0.31 -0.74 0.00 0.00 0.00 178.15 177.97 2yz0 h HIS 105 N 0.27 1.11 -0.84 1.37 2.76 -1.42 0.26 115.15 118.65 2yz0 h HIS 105 Ca 0.08 -0.07 0.02 0.00 -2.20 0.00 0.00 60.37 58.20 2yz0 h HIS 105 Cb 0.12 -0.34 -0.04 0.00 1.55 0.00 0.00 27.41 28.71 2yz0 h HIS 105 CO -0.02 0.84 0.56 -0.97 -1.30 0.00 0.00 177.93 177.03 2yz0 h ASN 106 N 1.06 0.94 1.01 3.26 -0.73 -1.18 0.65 115.58 120.59 2yz0 h ASN 106 Ca 0.25 -0.02 -0.19 0.00 1.87 0.00 0.00 56.30 58.21 2yz0 h ASN 106 Cb 0.18 -0.23 -0.03 0.00 0.27 0.00 0.00 38.32 38.52 2yz0 h ASN 106 CO -0.02 0.67 -1.04 0.00 -0.37 0.00 0.00 177.43 176.67 2yz0 h THR 107 N 1.10 1.15 -1.41 -3.57 1.03 -0.98 -3.34 112.91 106.89 2yz0 h THR 107 Ca 0.32 -2.75 -0.63 0.00 -0.01 0.00 0.00 66.41 63.33 2yz0 h THR 107 Cb -0.07 2.53 -0.37 0.00 -1.07 0.00 0.00 68.15 69.18 2yz0 h THR 107 CO -0.08 0.65 -0.13 -1.20 -0.01 0.00 0.00 175.52 174.75 2yz0 n SER 108 N -3.19 5.78 -4.36 0.00 7.64 0.88 -4.93 113.62 115.44 2yz0 n SER 108 Ca -0.04 -3.76 -0.45 0.00 1.01 0.00 0.00 58.87 55.63 2yz0 n SER 108 Cb 0.89 -0.64 -0.01 0.00 -1.01 0.00 0.00 64.21 63.43 2yz0 n SER 108 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2yz0 s ARG 109 N -3.72 3.93 0.00 1.43 3.52 0.16 -4.02 118.95 120.26 2yz0 s ARG 109 Ca 0.52 -2.76 0.00 0.00 -0.13 0.00 0.00 55.73 53.36 2yz0 s ARG 109 Cb 0.42 -4.60 0.00 0.00 -1.56 0.00 0.00 34.95 29.21 2yz0 s ARG 109 CO -0.17 -1.37 0.00 0.41 -0.81 0.00 0.00 175.30 173.36 2yz0 n GLY 110 N 3.55 -0.79 0.68 8.12 0.00 -1.26 -4.99 105.19 110.49 2yz0 n GLY 110 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2yz0 n GLY 110 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2yz0 n GLN 111 N 0.00 0.00 -3.62 1.61 1.13 -1.26 -5.00 117.38 110.24 2yz0 n GLN 111 Ca 0.00 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 54.94 2yz0 n GLN 111 Cb 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 30.24 30.28 2yz0 n GLN 111 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 2yz0 s GLU 112 N -0.49 0.72 0.00 -1.09 2.02 -1.26 -4.98 118.70 113.63 2yz0 s GLU 112 Ca 0.00 0.71 0.00 0.00 0.02 0.00 0.00 54.97 55.70 2yz0 s GLU 112 Cb 0.00 0.35 0.00 0.00 0.10 0.00 0.00 34.13 34.58 2yz0 s GLU 112 CO 0.00 -0.11 0.00 0.44 0.02 0.00 0.00 175.26 175.61 2yz0 n ILE 113 N 2.19 0.00 -0.10 -1.63 -5.35 -1.26 -4.65 119.36 108.56 2yz0 n ILE 113 Ca -0.14 -0.26 -0.11 0.00 -0.27 0.00 0.00 62.75 61.97 2yz0 n ILE 113 Cb 0.56 0.93 -0.03 0.00 -1.74 0.00 0.00 39.64 39.36 2yz0 n ILE 113 CO 0.00 0.00 0.00 0.40 -1.76 0.00 0.00 176.55 175.19 2yz0 h ILE 114 N 0.00 1.27 -0.15 7.28 1.08 -1.96 0.19 117.51 125.22 2yz0 h ILE 114 Ca 0.00 -1.03 -0.19 0.00 -0.39 0.00 0.00 64.86 63.25 2yz0 h ILE 114 Cb 0.00 1.33 -0.00 0.00 -3.07 0.00 0.00 36.82 35.08 2yz0 h ILE 114 CO 0.00 0.33 -0.67 0.15 -0.69 0.00 0.00 178.15 177.27 2yz0 h PHE 115 N 0.34 0.77 -0.24 1.37 3.57 -1.97 -1.66 116.94 119.13 2yz0 h PHE 115 Ca 0.08 -0.31 -0.05 0.00 3.53 0.00 0.00 57.97 61.21 2yz0 h PHE 115 Cb 0.50 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 2yz0 h PHE 115 CO 0.04 1.09 -0.06 0.93 -2.23 0.00 0.00 178.31 178.09 2yz0 h GLU 116 N 0.43 0.47 -0.45 1.11 4.39 -1.81 0.83 114.58 119.55 2yz0 h GLU 116 Ca -0.02 -0.18 -0.09 0.00 0.34 0.00 0.00 59.36 59.41 2yz0 h GLU 116 Cb 1.25 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.86 2yz0 h GLU 116 CO 0.13 0.69 -0.06 0.97 -1.16 0.00 0.00 179.01 179.58 2yz0 h ILE 117 N 0.21 1.27 -0.48 3.13 2.10 -0.99 -0.43 117.51 122.32 2yz0 h ILE 117 Ca 0.06 -1.15 -0.13 0.00 1.08 0.00 0.00 64.86 64.72 2yz0 h ILE 117 Cb 0.52 1.10 -0.01 0.00 -1.09 0.00 0.00 36.82 37.34 2yz0 h ILE 117 CO 0.02 0.39 -0.21 0.71 -1.08 0.00 0.00 178.15 177.98 2yz0 h THR 118 N 0.67 1.27 -0.30 2.19 1.35 -1.28 -2.08 112.91 114.74 2yz0 h THR 118 Ca 0.12 -1.38 -0.08 0.00 -0.55 0.00 0.00 66.41 64.52 2yz0 h THR 118 Cb 0.58 1.13 -0.01 0.00 -1.73 0.00 0.00 68.15 68.13 2yz0 h THR 118 CO 0.04 0.48 -0.12 -1.28 -0.25 0.00 0.00 175.52 174.38 2yz0 h SER 119 N 0.85 0.62 -0.37 5.36 0.87 -0.75 0.32 113.55 120.45 2yz0 h SER 119 Ca 0.11 -0.39 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 2yz0 h SER 119 Cb 0.79 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.57 2yz0 h SER 119 CO 0.07 0.87 0.23 0.15 -0.53 0.00 0.00 176.83 177.62 2yz0 h PHE 120 N 0.36 0.48 -0.38 2.24 3.04 -1.05 0.24 116.94 121.88 2yz0 h PHE 120 Ca 0.07 0.00 -0.15 0.00 3.98 0.00 0.00 57.97 61.88 2yz0 h PHE 120 Cb 0.63 -0.16 -0.01 0.00 2.56 0.00 0.00 35.95 38.97 2yz0 h PHE 120 CO 0.06 0.32 -0.35 1.79 -2.02 0.00 0.00 178.31 178.11 2yz0 h THR 121 N 0.49 1.28 -0.53 4.41 1.35 -1.35 0.18 112.91 118.73 2yz0 h THR 121 Ca 0.13 -1.52 -0.12 0.00 -0.55 0.00 0.00 66.41 64.36 2yz0 h THR 121 Cb -0.02 1.35 -0.02 0.00 -1.73 0.00 0.00 68.15 67.73 2yz0 h THR 121 CO -0.03 0.51 -0.12 -0.61 -0.25 0.00 0.00 175.52 175.02 2yz0 h GLN 122 N 0.73 1.01 -0.13 4.72 4.15 -0.66 0.52 115.11 125.45 2yz0 h GLN 122 Ca 0.07 -0.38 -0.22 0.00 0.77 0.00 0.00 58.65 58.89 2yz0 h GLN 122 Cb 0.92 -0.06 0.01 0.00 0.21 0.00 0.00 27.48 28.56 2yz0 h GLN 122 CO 0.09 1.06 -0.78 1.05 -1.93 0.00 0.00 178.83 178.31 2yz0 h GLU 123 N 0.90 0.75 0.00 1.69 4.11 -0.47 -3.06 114.58 118.51 2yz0 h GLU 123 Ca 0.14 -0.64 0.00 0.00 0.07 0.00 0.00 59.36 58.92 2yz0 h GLU 123 Cb 0.69 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.08 2yz0 h GLU 123 CO 0.05 1.25 0.00 0.87 0.07 0.00 0.00 179.01 181.25 2yz0 h LYS 124 N 0.47 0.00 0.13 1.06 1.79 -0.90 -2.80 116.57 116.32 2yz0 h LYS 124 Ca -0.06 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.40 2yz0 h LYS 124 Cb 1.42 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.07 2yz0 h LYS 124 CO 0.16 0.00 -0.06 1.25 -1.08 0.00 0.00 179.45 179.72 2yz0 h LEU 125 N 0.00 -0.15 -0.61 2.94 5.85 0.08 -2.49 115.31 120.94 2yz0 h LEU 125 Ca 0.00 -0.35 -0.14 0.00 0.84 0.00 0.00 57.88 58.23 2yz0 h LEU 125 Cb 0.91 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 2yz0 h LEU 125 CO 0.00 0.31 -0.39 -0.78 -0.34 0.00 0.00 178.44 177.24 2yz0 h ASP 126 N -0.65 0.70 -0.64 1.25 3.58 -1.62 -1.83 116.42 117.21 2yz0 h ASP 126 Ca -0.02 -0.31 0.01 0.00 0.42 0.00 0.00 57.03 57.13 2yz0 h ASP 126 Cb 0.49 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 41.32 2yz0 h ASP 126 CO 0.03 1.01 0.42 1.05 -2.88 0.00 0.00 179.24 178.88 2yz0 h GLU 127 N 0.54 0.82 0.15 0.28 -0.00 -1.54 0.16 114.58 114.98 2yz0 h GLU 127 Ca 0.05 -0.05 -0.25 0.00 -0.00 0.00 0.00 59.36 59.11 2yz0 h GLU 127 Cb 0.92 -0.18 0.03 0.00 -0.00 0.00 0.00 28.75 29.51 2yz0 h GLU 127 CO 0.08 0.54 -1.06 0.27 -0.00 0.00 0.00 179.01 178.84 2yz0 h PHE 128 N 0.84 0.79 0.00 2.06 -5.15 -1.29 -3.07 116.94 111.12 2yz0 h PHE 128 Ca 0.24 -0.53 -0.06 0.00 -0.20 0.00 0.00 57.97 57.42 2yz0 h PHE 128 Cb -0.06 -0.05 -0.01 0.00 0.22 0.00 0.00 35.95 36.05 2yz0 h PHE 128 CO -0.00 1.40 -0.26 0.37 -2.00 0.00 0.00 178.31 177.81 2yz0 h GLN 129 N -0.04 0.00 -0.11 6.09 -0.00 -0.99 1.62 115.11 121.68 2yz0 h GLN 129 Ca -0.17 0.00 -0.18 0.00 -0.00 0.00 0.00 58.65 58.30 2yz0 h GLN 129 Cb 1.80 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 29.28 2yz0 h GLN 129 CO 0.20 0.26 -0.67 -0.97 0.00 0.00 0.00 178.83 177.65 2yz0 h ASN 130 N 0.00 0.52 -0.06 -0.69 -1.24 -0.75 -3.29 115.58 110.08 2yz0 h ASN 130 Ca -0.00 -0.32 -0.07 0.00 0.71 0.00 0.00 56.30 56.62 2yz0 h ASN 130 Cb 0.48 -0.15 -0.09 0.00 0.73 0.00 0.00 38.32 39.29 2yz0 h ASN 130 CO 0.03 1.05 -0.61 0.52 -1.29 0.00 0.00 177.43 177.13 2yz0 n VAL 131 N -3.88 1.91 -1.72 2.57 0.31 -0.97 -5.06 118.33 111.48 2yz0 n VAL 131 Ca -0.04 -2.99 -0.42 0.00 -0.01 0.00 0.00 64.34 60.88 2yz0 n VAL 131 Cb 0.67 -0.11 -0.03 0.00 -0.91 0.00 0.00 33.84 33.47 2yz0 n VAL 131 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 2yz0 n VAL 132 N -0.86 0.28 -1.63 2.52 3.14 0.55 -4.90 118.33 117.44 2yz0 n VAL 132 Ca 0.19 -0.07 -0.35 0.00 -2.96 0.00 0.00 64.34 61.15 2yz0 n VAL 132 Cb 0.78 -1.96 0.06 0.00 -1.06 0.00 0.00 33.84 31.66 2yz0 n VAL 132 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 2yz0 n ASN 133 N 3.44 7.18 -3.24 6.55 6.94 -1.26 -4.83 115.26 130.05 2yz0 n ASN 133 Ca 0.14 -3.79 -0.03 0.00 -0.02 0.00 0.00 54.58 50.88 2yz0 n ASN 133 Cb 0.35 -0.90 -0.04 0.00 -2.36 0.00 0.00 39.78 36.84 2yz0 n ASN 133 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 2yz0 s THR 134 N -4.91 -0.81 -0.67 5.53 2.01 -1.26 -5.11 115.64 110.42 2yz0 s THR 134 Ca 0.59 -0.11 -0.21 0.00 0.31 0.00 0.00 61.69 62.27 2yz0 s THR 134 Cb 0.47 -0.96 0.08 0.00 0.01 0.00 0.00 72.50 72.11 2yz0 s THR 134 CO -0.12 -0.11 0.92 -1.58 -0.69 0.00 0.00 174.62 173.04 2yz0 s GLN 135 N 2.69 3.15 0.21 4.92 0.74 -1.26 -4.95 119.66 125.15 2yz0 s GLN 135 Ca 0.13 -1.05 -0.21 0.00 0.05 0.00 0.00 55.36 54.27 2yz0 s GLN 135 Cb -0.13 -4.31 0.08 0.00 1.10 0.00 0.00 33.01 29.75 2yz0 s GLN 135 CO -0.24 -1.75 1.02 -1.54 -0.55 0.00 0.00 175.29 172.23 2yz0 s SER 136 N 3.66 0.02 0.16 6.67 1.04 -1.26 -5.19 113.70 118.80 2yz0 s SER 136 Ca 0.21 -0.75 -0.24 0.00 0.48 0.00 0.00 55.95 55.65 2yz0 s SER 136 Cb -0.17 0.54 0.06 0.00 0.10 0.00 0.00 66.02 66.55 2yz0 s SER 136 CO 0.07 -1.07 0.70 -1.48 0.98 0.00 0.00 173.24 172.44 2yz0 s LEU 137 N -3.43 -0.43 0.00 2.42 2.34 -1.26 -5.04 118.68 113.28 2yz0 s LEU 137 Ca 0.22 -0.18 0.10 0.00 0.06 0.00 0.00 54.13 54.34 2yz0 s LEU 137 Cb -0.03 2.50 0.60 0.00 -0.56 0.00 0.00 46.19 48.70 2yz0 s LEU 137 CO 0.06 -1.00 1.04 -1.84 -1.06 0.00 0.00 176.35 173.55