#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 3.04 0.00 7.83 0.15 -1.26 -5.09 113.70 118.36 2yz0 s SER 2 Ca 0.00 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.13 2yz0 s SER 2 Cb 0.00 -0.99 0.00 0.00 -1.71 0.00 0.00 66.02 63.32 2yz0 s SER 2 CO 0.00 0.22 0.00 0.18 1.20 0.00 0.00 173.24 174.84 2yz0 n LEU 3 N 3.12 0.00 -2.80 3.45 4.77 -1.26 -5.06 117.00 119.22 2yz0 n LEU 3 Ca -0.18 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.46 2yz0 n LEU 3 Cb 0.52 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.63 2yz0 n LEU 3 CO 0.26 0.00 0.95 -1.54 -1.33 0.00 0.00 177.39 175.73 2yz0 n SER 4 N 0.00 6.29 -3.41 -1.43 3.41 -1.26 -4.79 113.62 112.43 2yz0 n SER 4 Ca 0.00 -3.78 -0.27 0.00 -0.26 0.00 0.00 58.87 54.56 2yz0 n SER 4 Cb 0.00 -0.82 -0.10 0.00 -0.26 0.00 0.00 64.21 63.03 2yz0 n SER 4 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2yz0 s HIS 5 N -3.86 0.98 -0.04 7.33 5.04 -1.26 -5.01 115.29 118.46 2yz0 s HIS 5 Ca 0.49 -2.14 -0.03 0.00 -1.54 0.00 0.00 55.06 51.84 2yz0 s HIS 5 Cb 0.40 -0.90 0.01 0.00 0.04 0.00 0.00 32.58 32.12 2yz0 s HIS 5 CO -0.30 -0.83 0.06 -0.11 -2.34 0.00 0.00 174.74 171.22 2yz0 n LEU 6 N 3.15 -3.27 -4.30 8.88 0.00 -1.26 -5.00 117.00 115.20 2yz0 n LEU 6 Ca 0.25 0.33 -0.16 0.00 0.00 0.00 0.00 56.01 56.43 2yz0 n LEU 6 Cb 0.45 -1.49 -0.10 0.00 0.00 0.00 0.00 43.42 42.28 2yz0 n LEU 6 CO 0.09 -1.21 -0.26 0.28 0.00 0.00 0.00 177.39 176.29 2yz0 s THR 7 N -0.98 0.54 0.57 1.96 -1.32 -1.26 -5.03 115.64 110.12 2yz0 s THR 7 Ca 0.03 -2.00 0.26 0.00 -1.21 0.00 0.00 61.69 58.78 2yz0 s THR 7 Cb -0.00 -2.57 0.34 0.00 -1.51 0.00 0.00 72.50 68.75 2yz0 s THR 7 CO 0.08 -0.05 2.15 -0.07 -2.21 0.00 0.00 174.62 174.52 2yz0 h LEU 8 N 2.43 0.00 -1.80 9.08 3.38 -1.95 -1.49 115.31 124.96 2yz0 h LEU 8 Ca -0.38 0.00 0.24 0.00 0.09 0.00 0.00 57.88 57.83 2yz0 h LEU 8 Cb 1.24 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.94 2yz0 h LEU 8 CO 0.61 0.00 0.62 -0.78 0.09 0.00 0.00 178.44 178.97 2yz0 h ASP 9 N 0.00 0.16 -0.46 -0.43 3.58 -1.94 0.14 116.42 117.47 2yz0 h ASP 9 Ca 0.05 0.02 -0.13 0.00 0.42 0.00 0.00 57.03 57.39 2yz0 h ASP 9 Cb 0.27 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.30 2yz0 h ASP 9 CO -0.00 0.06 -0.23 1.56 -2.88 0.00 0.00 179.24 177.75 2yz0 h GLN 10 N 0.16 0.97 -0.35 0.28 1.08 -1.67 -2.81 115.11 112.77 2yz0 h GLN 10 Ca 0.44 -0.43 0.10 0.00 -1.45 0.00 0.00 58.65 57.32 2yz0 h GLN 10 Cb 1.49 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.88 2yz0 h GLN 10 CO -0.08 1.10 0.61 1.88 -0.95 0.00 0.00 178.83 181.39 2yz0 h TYR 11 N 0.82 0.00 -0.72 2.96 0.05 -0.85 0.25 116.97 119.47 2yz0 h TYR 11 Ca 0.10 0.00 0.06 0.00 0.05 0.00 0.00 58.73 58.94 2yz0 h TYR 11 Cb 0.81 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.51 2yz0 h TYR 11 CO 0.06 0.00 0.48 1.88 -1.05 0.00 0.00 178.16 179.52 2yz0 h TYR 12 N 0.00 0.77 -0.61 4.88 0.05 -1.54 -1.38 116.97 119.14 2yz0 h TYR 12 Ca 0.17 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.96 2yz0 h TYR 12 Cb 1.38 -0.26 -0.03 0.00 1.01 0.00 0.00 36.73 38.84 2yz0 h TYR 12 CO 0.00 0.41 0.36 1.05 -1.05 0.00 0.00 178.16 178.94 2yz0 h GLU 13 N 0.77 0.83 -0.33 4.88 4.11 -0.70 0.92 114.58 125.06 2yz0 h GLU 13 Ca 0.31 -0.08 -0.09 0.00 0.07 0.00 0.00 59.36 59.57 2yz0 h GLU 13 Cb 0.23 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2yz0 h GLU 13 CO -0.10 0.60 -0.14 0.82 0.07 0.00 0.00 179.01 180.26 2yz0 h ILE 14 N 0.83 1.29 -0.35 -1.06 5.03 -1.47 -2.40 117.51 119.38 2yz0 h ILE 14 Ca 0.22 -1.24 -0.02 0.00 -0.12 0.00 0.00 64.86 63.70 2yz0 h ILE 14 Cb -0.01 1.40 -0.02 0.00 -3.03 0.00 0.00 36.82 35.16 2yz0 h ILE 14 CO -0.04 0.40 0.14 1.56 -0.68 0.00 0.00 178.15 179.53 2yz0 h GLN 15 N 0.45 0.51 -0.86 2.37 4.20 -1.05 -2.34 115.11 118.39 2yz0 h GLN 15 Ca 0.08 -0.09 0.03 0.00 0.06 0.00 0.00 58.65 58.72 2yz0 h GLN 15 Cb 0.66 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.31 2yz0 h GLN 15 CO 0.04 0.50 0.56 0.00 -0.67 0.00 0.00 178.83 179.26 2yz0 h ASN 17 N 1.09 0.45 -0.52 0.00 2.35 -1.20 -2.45 115.58 115.29 2yz0 h ASN 17 Ca 0.34 -0.07 -0.10 0.00 -0.55 0.00 0.00 56.30 55.92 2yz0 h ASN 17 Cb -0.01 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 2yz0 h ASN 17 CO -0.11 0.49 -0.03 -0.33 -1.65 0.00 0.00 177.43 175.79 2yz0 h GLU 18 N 0.47 0.98 0.16 0.81 3.07 -0.76 0.10 114.58 119.41 2yz0 h GLU 18 Ca 0.11 -0.31 -0.01 0.00 -0.50 0.00 0.00 59.36 58.65 2yz0 h GLU 18 Cb 0.25 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.07 2yz0 h GLU 18 CO 0.00 0.98 -0.08 -0.07 -1.40 0.00 0.00 179.01 178.45 2yz0 h LEU 19 N 0.89 -0.18 -0.58 1.33 3.38 -1.00 -0.60 115.31 118.54 2yz0 h LEU 19 Ca 0.16 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.97 2yz0 h LEU 19 Cb 0.57 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2yz0 h LEU 19 CO 0.03 -0.09 -0.30 1.05 0.09 0.00 0.00 178.44 179.21 2yz0 h GLU 20 N -0.26 0.81 -0.02 1.13 4.11 -1.46 0.18 114.58 119.07 2yz0 h GLU 20 Ca -0.02 -0.37 0.01 0.00 0.07 0.00 0.00 59.36 59.05 2yz0 h GLU 20 Cb 0.20 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 2yz0 h GLU 20 CO 0.04 1.00 -0.04 0.00 0.07 0.00 0.00 179.01 180.07 2yz0 h ALA 21 N 0.97 -0.03 -0.02 1.06 0.00 -0.63 -2.45 119.26 118.17 2yz0 h ALA 21 Ca 0.08 0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.78 2yz0 h ALA 21 Cb 0.85 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2yz0 h ALA 21 CO 0.07 -0.53 -0.91 0.82 0.00 0.00 0.00 179.25 178.70 2yz0 h ILE 22 N -0.07 1.39 -0.86 0.00 5.03 -1.10 -3.20 117.51 118.71 2yz0 h ILE 22 Ca 0.02 -2.39 0.19 0.00 -0.12 0.00 0.00 64.86 62.57 2yz0 h ILE 22 Cb 0.10 2.36 -0.06 0.00 -3.03 0.00 0.00 36.82 36.19 2yz0 h ILE 22 CO -0.06 0.72 0.57 0.03 -0.68 0.00 0.00 178.15 178.73 2yz0 h ARG 23 N 0.25 0.35 -0.27 2.37 3.08 -0.45 0.26 114.38 119.96 2yz0 h ARG 23 Ca -0.07 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 59.87 2yz0 h ARG 23 Cb 1.53 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.49 2yz0 h ARG 23 CO 0.16 0.23 -0.18 0.77 -1.07 0.00 0.00 179.97 179.88 2yz0 h SER 24 N 0.36 0.48 0.12 7.04 0.02 -1.43 0.41 113.55 120.55 2yz0 h SER 24 Ca 0.44 -0.14 -0.16 0.00 -0.84 0.00 0.00 61.79 61.09 2yz0 h SER 24 Cb 1.13 -0.13 0.02 0.00 0.14 0.00 0.00 62.40 63.56 2yz0 h SER 24 CO -0.15 0.68 -0.69 0.40 -1.14 0.00 0.00 176.83 175.94 2yz0 h ILE 25 N 0.45 1.56 -1.36 3.27 2.04 -0.73 -3.35 117.51 119.38 2yz0 h ILE 25 Ca 0.08 -2.50 -0.65 0.00 1.00 0.00 0.00 64.86 62.78 2yz0 h ILE 25 Cb 0.58 3.23 -0.35 0.00 -0.74 0.00 0.00 36.82 39.53 2yz0 h ILE 25 CO 0.04 0.70 0.12 -1.22 0.00 0.00 0.00 178.15 177.79 2yz0 n TYR 26 N -4.20 3.11 -0.39 1.37 4.01 0.14 -4.84 117.16 116.36 2yz0 n TYR 26 Ca -0.13 -2.68 -0.03 0.00 -0.16 0.00 0.00 57.90 54.90 2yz0 n TYR 26 Cb 0.77 -0.77 0.01 0.00 -0.31 0.00 0.00 39.34 39.04 2yz0 n TYR 26 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 2yz0 n MET 27 N -0.65 -0.28 0.02 -0.72 2.81 0.14 -0.52 117.12 117.92 2yz0 n MET 27 Ca 0.50 1.51 0.11 0.00 -1.81 0.00 0.00 57.70 58.01 2yz0 n MET 27 Cb 0.61 -2.23 -0.01 0.00 -0.71 0.00 0.00 33.22 30.88 2yz0 n MET 27 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2yz0 n ASP 28 N -5.39 0.60 -1.81 7.83 2.03 -1.26 -4.13 116.55 114.41 2yz0 n ASP 28 Ca 0.08 -0.27 -0.16 0.00 0.52 0.00 0.00 54.79 54.96 2yz0 n ASP 28 Cb 0.36 0.94 0.11 0.00 -0.72 0.00 0.00 41.12 41.80 2yz0 n ASP 28 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2yz0 n ASP 29 N -1.95 3.82 -4.32 1.67 8.00 0.32 -4.88 116.55 119.20 2yz0 n ASP 29 Ca 0.02 -3.05 -0.30 0.00 0.71 0.00 0.00 54.79 52.16 2yz0 n ASP 29 Cb 0.44 -0.75 -0.15 0.00 -0.02 0.00 0.00 41.12 40.64 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 -2.14 2.28 -0.11 1.24 2.19 -0.35 -1.76 117.98 119.33 2yz0 s PHE 30 Ca 0.37 -0.42 0.03 0.00 0.33 0.00 0.00 56.93 57.24 2yz0 s PHE 30 Cb 0.31 -1.42 -0.00 0.00 -1.31 0.00 0.00 43.02 40.60 2yz0 s PHE 30 CO 0.06 0.04 -0.22 0.99 1.83 0.00 0.00 175.22 177.93 2yz0 s THR 31 N -0.70 2.22 -0.38 0.12 2.01 0.10 -4.90 115.64 114.12 2yz0 s THR 31 Ca 0.11 -0.96 -0.22 0.00 0.31 0.00 0.00 61.69 60.93 2yz0 s THR 31 Cb -0.10 -1.87 0.01 0.00 0.01 0.00 0.00 72.50 70.55 2yz0 s THR 31 CO 0.01 0.55 0.71 -0.62 -0.69 0.00 0.00 174.62 174.58 2yz0 s ASP 32 N 0.40 6.46 0.00 3.53 2.15 -1.26 -2.33 116.67 125.63 2yz0 s ASP 32 Ca -0.16 0.16 0.00 0.00 0.43 0.00 0.00 52.55 52.97 2yz0 s ASP 32 Cb -0.17 -2.36 0.00 0.00 -0.30 0.00 0.00 42.92 40.09 2yz0 s ASP 32 CO 0.07 -0.70 0.00 0.00 -0.17 0.00 0.00 175.17 174.37 2yz0 n LEU 33 N 6.29 0.00 -4.41 -1.34 -0.00 -1.26 -5.00 117.00 111.28 2yz0 n LEU 33 Ca 0.01 0.00 -0.48 0.00 -0.00 0.00 0.00 56.01 55.53 2yz0 n LEU 33 Cb 0.48 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.87 2yz0 n LEU 33 CO 0.52 0.00 0.05 0.41 -0.00 0.00 0.00 177.39 178.37 2yz0 n THR 34 N -1.93 1.88 -1.08 1.47 -1.04 -1.25 -4.76 114.28 107.57 2yz0 n THR 34 Ca 0.00 -0.47 -0.15 0.00 -2.04 0.00 0.00 64.05 61.39 2yz0 n THR 34 Cb 0.44 -0.04 -0.15 0.00 -1.82 0.00 0.00 70.33 68.77 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 1.02 2.06 -2.71 -2.82 4.01 -1.26 -4.92 118.16 113.54 2yz0 n LYS 35 Ca 0.18 -1.23 -0.42 0.00 -0.51 0.00 0.00 58.31 56.33 2yz0 n LYS 35 Cb 0.24 -2.01 -0.03 0.00 -0.51 0.00 0.00 35.03 32.72 2yz0 n LYS 35 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 2yz0 s ARG 36 N 0.48 4.61 -0.90 1.97 1.81 -1.26 -4.15 118.95 121.51 2yz0 s ARG 36 Ca 0.64 1.44 -0.13 0.00 -1.72 0.00 0.00 55.73 55.96 2yz0 s ARG 36 Cb 0.33 -3.43 0.02 0.00 -0.45 0.00 0.00 34.95 31.41 2yz0 s ARG 36 CO -0.04 0.04 0.58 1.63 -0.68 0.00 0.00 175.30 176.83 2yz0 n LYS 37 N 3.50 -0.98 -4.13 3.54 4.76 -1.26 -4.96 118.16 118.63 2yz0 n LYS 37 Ca 0.05 0.42 -0.11 0.00 -2.87 0.00 0.00 58.31 55.80 2yz0 n LYS 37 Cb 0.50 -2.08 -0.11 0.00 -1.84 0.00 0.00 35.03 31.51 2yz0 n LYS 37 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2yz0 s SER 38 N -3.19 1.04 0.85 4.39 0.01 -1.26 -5.16 113.70 110.37 2yz0 s SER 38 Ca 0.17 -0.84 -0.11 0.00 1.31 0.00 0.00 55.95 56.48 2yz0 s SER 38 Cb -0.10 0.07 0.14 0.00 0.21 0.00 0.00 66.02 66.34 2yz0 s SER 38 CO 0.86 -0.37 1.19 -0.44 0.41 0.00 0.00 173.24 174.88 2yz0 s SER 39 N -2.51 3.91 0.00 2.44 0.01 -1.26 -4.09 113.70 112.20 2yz0 s SER 39 Ca 0.04 0.32 0.00 0.00 1.31 0.00 0.00 55.95 57.62 2yz0 s SER 39 Cb -0.00 -0.62 0.00 0.00 0.21 0.00 0.00 66.02 65.61 2yz0 s SER 39 CO -0.03 -2.22 0.00 -2.67 0.41 0.00 0.00 173.24 168.73 2yz0 n TRP 40 N -3.38 0.00 0.00 2.43 4.27 -1.26 -4.79 117.44 114.72 2yz0 n TRP 40 Ca 0.12 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.73 2yz0 n TRP 40 Cb 0.60 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.55 2yz0 n TRP 40 CO 0.00 0.00 0.00 -3.47 -2.29 0.00 0.00 177.69 171.93 2yz0 n ASP 41 N 1.15 0.00 -3.21 -0.67 -0.08 -1.26 -5.09 116.55 107.39 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 -0.06 0.00 2.34 0.00 0.00 41.12 43.40 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 -0.32 1.21 -3.04 -0.67 5.02 -1.26 -4.50 118.16 114.60 2yz0 n LYS 42 Ca 0.00 -3.59 -0.28 0.00 -2.02 0.00 0.00 58.31 52.43 2yz0 n LYS 42 Cb 0.00 -1.54 -0.05 0.00 -0.02 0.00 0.00 35.03 33.42 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 0.99 3.17 -1.23 1.97 6.02 -1.26 -5.05 117.38 121.99 2yz0 n GLN 43 Ca 0.24 -4.82 -0.30 0.00 -0.01 0.00 0.00 57.00 52.10 2yz0 n GLN 43 Cb 0.53 -2.25 0.12 0.00 1.02 0.00 0.00 30.24 29.65 2yz0 n GLN 43 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2yz0 s PRO 44 N -3.29 1.74 0.00 -1.09 0.04 -1.26 -4.84 135.00 126.31 2yz0 s PRO 44 Ca 0.47 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.50 2yz0 s PRO 44 Cb 0.25 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.94 2yz0 s PRO 44 CO -0.11 -1.95 0.57 0.94 0.04 0.00 0.00 177.00 176.49 2yz0 n GLN 45 N -3.71 0.00 0.00 4.56 7.27 -1.26 -5.00 117.38 119.24 2yz0 n GLN 45 Ca 0.08 -0.57 0.00 0.00 0.07 0.00 0.00 57.00 56.58 2yz0 n GLN 45 Cb 0.54 -0.49 0.00 0.00 2.41 0.00 0.00 30.24 32.70 2yz0 n GLN 45 CO 0.00 0.00 0.00 1.51 0.07 0.00 0.00 177.06 178.64 2yz0 n ILE 46 N 0.00 0.00 -1.11 1.69 0.13 -1.26 -4.54 119.36 114.26 2yz0 n ILE 46 Ca 0.00 0.00 -0.35 0.00 -1.10 0.00 0.00 62.75 61.30 2yz0 n ILE 46 Cb 0.53 0.00 0.01 0.00 -0.84 0.00 0.00 39.64 39.34 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 -0.38 0.00 -3.68 9.51 -0.00 -1.26 -4.90 119.36 118.65 2yz0 n ILE 47 Ca 0.00 -0.45 -0.11 0.00 -0.00 0.00 0.00 62.75 62.19 2yz0 n ILE 47 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 39.64 39.58 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 -1.80 -0.17 0.05 4.28 -0.71 -1.15 -3.92 117.98 114.56 2yz0 s PHE 48 Ca 0.51 -0.06 0.03 0.00 -1.04 0.00 0.00 56.93 56.37 2yz0 s PHE 48 Cb -0.44 0.19 -0.04 0.00 -1.21 0.00 0.00 43.02 41.53 2yz0 s PHE 48 CO 0.60 -0.62 -0.01 -1.21 -1.34 0.00 0.00 175.22 172.64 2yz0 s GLU 49 N -3.29 2.63 -0.04 1.99 2.02 -0.98 -2.91 118.70 118.11 2yz0 s GLU 49 Ca -0.00 -0.75 0.03 0.00 0.02 0.00 0.00 54.97 54.28 2yz0 s GLU 49 Cb 0.01 -2.58 0.00 0.00 0.10 0.00 0.00 34.13 31.66 2yz0 s GLU 49 CO -0.08 0.58 -0.13 0.42 0.02 0.00 0.00 175.26 176.07 2yz0 s ILE 50 N -1.19 1.08 0.00 -1.63 -1.09 -1.04 0.03 121.20 117.36 2yz0 s ILE 50 Ca 0.22 -0.52 -0.26 0.00 -2.23 0.00 0.00 60.65 57.87 2yz0 s ILE 50 Cb -0.12 -0.95 -0.04 0.00 -1.58 0.00 0.00 42.46 39.77 2yz0 s ILE 50 CO 0.14 0.32 0.79 -0.89 -1.23 0.00 0.00 174.94 174.08 2yz0 s THR 51 N 0.16 4.85 0.11 2.92 2.01 -0.72 -2.32 115.64 122.65 2yz0 s THR 51 Ca -0.04 1.67 0.04 0.00 0.31 0.00 0.00 61.69 63.66 2yz0 s THR 51 Cb -0.10 -4.14 -0.04 0.00 0.01 0.00 0.00 72.50 68.23 2yz0 s THR 51 CO 0.01 0.29 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.37 2yz0 s LEU 52 N 0.43 2.45 -0.15 4.42 1.43 0.49 -4.88 118.68 122.87 2yz0 s LEU 52 Ca 0.41 -0.89 -0.34 0.00 -1.03 0.00 0.00 54.13 52.28 2yz0 s LEU 52 Cb -0.20 -0.30 0.15 0.00 0.03 0.00 0.00 46.19 45.87 2yz0 s LEU 52 CO 0.23 -0.30 1.38 0.00 0.23 0.00 0.00 176.35 177.89 2yz0 s ARG 53 N -3.15 0.11 0.94 1.70 3.03 -1.26 -0.94 118.95 119.37 2yz0 s ARG 53 Ca 0.09 -0.05 -0.16 0.00 2.03 0.00 0.00 55.73 57.64 2yz0 s ARG 53 Cb -0.01 0.04 0.24 0.00 -1.03 0.00 0.00 34.95 34.20 2yz0 s ARG 53 CO -0.00 -0.05 0.62 0.45 -1.13 0.00 0.00 175.30 175.18 2yz0 n SER 54 N -0.31 -3.01 -0.04 -2.89 2.88 -0.78 -4.90 113.62 104.58 2yz0 n SER 54 Ca -0.04 -0.68 0.03 0.00 -1.33 0.00 0.00 58.87 56.85 2yz0 n SER 54 Cb 0.61 -0.66 -0.16 0.00 -0.75 0.00 0.00 64.21 63.25 2yz0 n SER 54 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2yz0 n VAL 55 N -4.68 0.61 -3.70 2.46 0.24 -1.26 -5.00 118.33 107.01 2yz0 n VAL 55 Ca 0.09 -0.65 -0.03 0.00 -2.04 0.00 0.00 64.34 61.72 2yz0 n VAL 55 Cb 0.40 -0.23 -0.00 0.00 -1.47 0.00 0.00 33.84 32.54 2yz0 n VAL 55 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2yz0 n ASP 56 N -2.49 1.47 -0.00 -1.34 -0.08 -1.26 -5.07 116.55 107.77 2yz0 n ASP 56 Ca -0.15 -1.21 0.00 0.00 -1.51 0.00 0.00 54.79 51.92 2yz0 n ASP 56 Cb 0.81 0.01 -0.01 0.00 2.34 0.00 0.00 41.12 44.27 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 -0.49 0.75 -4.78 -0.67 4.76 -1.22 -4.35 118.16 112.16 2yz0 n LYS 57 Ca -0.01 -0.01 -0.31 0.00 -2.87 0.00 0.00 58.31 55.11 2yz0 n LYS 57 Cb 0.07 -0.97 -0.13 0.00 -1.84 0.00 0.00 35.03 32.16 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 -1.95 2.19 0.00 1.97 -1.05 -1.26 -1.12 118.70 117.49 2yz0 s GLU 58 Ca -0.00 -0.90 0.14 0.00 -0.15 0.00 0.00 54.97 54.06 2yz0 s GLU 58 Cb 0.00 -2.23 0.62 0.00 -0.44 0.00 0.00 34.13 32.09 2yz0 s GLU 58 CO 0.03 0.56 1.44 -0.35 0.95 0.00 0.00 175.26 177.90 2yz0 n PRO 59 N 1.84 0.04 -3.03 -4.83 -0.04 -1.26 -4.95 135.00 122.77 2yz0 n PRO 59 Ca -0.16 0.24 -0.08 0.00 -0.04 0.00 0.00 63.50 63.45 2yz0 n PRO 59 Cb 0.52 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.47 2yz0 n PRO 59 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2yz0 n VAL 60 N -1.46 0.00 0.27 0.52 0.24 -0.28 -5.06 118.33 112.56 2yz0 n VAL 60 Ca 0.04 -1.00 0.03 0.00 -2.04 0.00 0.00 64.34 61.37 2yz0 n VAL 60 Cb 0.16 0.69 -0.04 0.00 -1.47 0.00 0.00 33.84 33.17 2yz0 n VAL 60 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 2yz0 n GLU 61 N -0.37 3.78 -2.26 7.34 2.13 -1.19 -3.37 120.64 126.69 2yz0 n GLU 61 Ca -0.01 -0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.79 2yz0 n GLU 61 Cb 0.38 -0.90 0.00 0.00 0.27 0.00 0.00 31.44 31.19 2yz0 n GLU 61 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2yz0 n SER 62 N -1.28 -4.36 -4.42 4.31 2.88 -1.26 -1.94 113.62 107.55 2yz0 n SER 62 Ca 0.01 0.28 -0.35 0.00 -1.33 0.00 0.00 58.87 57.49 2yz0 n SER 62 Cb 0.13 -1.03 -0.13 0.00 -0.75 0.00 0.00 64.21 62.43 2yz0 n SER 62 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2yz0 s SER 63 N -0.62 4.68 0.02 -3.46 0.15 -1.26 -1.86 113.70 111.35 2yz0 s SER 63 Ca 0.00 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.42 2yz0 s SER 63 Cb 0.00 -1.79 -0.02 0.00 -1.71 0.00 0.00 66.02 62.50 2yz0 s SER 63 CO 0.00 0.07 -0.03 -0.63 1.20 0.00 0.00 173.24 173.84 2yz0 s ILE 64 N 0.98 0.15 -0.22 6.45 1.01 -0.12 -2.40 121.20 127.05 2yz0 s ILE 64 Ca 0.01 -0.99 0.02 0.00 0.00 0.00 0.00 60.65 59.69 2yz0 s ILE 64 Cb -0.14 -0.38 0.04 0.00 0.01 0.00 0.00 42.46 41.99 2yz0 s ILE 64 CO 0.01 -0.53 -0.14 -0.89 0.00 0.00 0.00 174.94 173.40 2yz0 s THR 65 N -1.63 2.02 -0.32 2.92 2.01 -1.14 -0.38 115.64 119.12 2yz0 s THR 65 Ca -0.14 -1.26 -0.18 0.00 0.31 0.00 0.00 61.69 60.42 2yz0 s THR 65 Cb -0.09 -2.02 -0.01 0.00 0.01 0.00 0.00 72.50 70.40 2yz0 s THR 65 CO -0.02 0.21 0.49 -0.76 -0.69 0.00 0.00 174.62 173.86 2yz0 s LEU 66 N 1.23 4.26 -0.31 4.42 1.43 -0.98 -1.79 118.68 126.93 2yz0 s LEU 66 Ca -0.02 0.10 -0.10 0.00 -1.03 0.00 0.00 54.13 53.08 2yz0 s LEU 66 Cb -0.17 -2.57 -0.01 0.00 0.03 0.00 0.00 46.19 43.48 2yz0 s LEU 66 CO -0.08 -0.40 0.16 -2.28 0.23 0.00 0.00 176.35 173.97 2yz0 s HIS 67 N 2.32 3.18 -0.10 0.29 5.65 -0.92 -2.50 115.29 123.22 2yz0 s HIS 67 Ca 0.18 -0.55 -0.04 0.00 0.25 0.00 0.00 55.06 54.90 2yz0 s HIS 67 Cb -0.16 -2.37 -0.04 0.00 -1.18 0.00 0.00 32.58 28.84 2yz0 s HIS 67 CO 0.12 -0.45 0.06 -0.06 -0.65 0.00 0.00 174.74 173.76 2yz0 s PHE 68 N 1.62 3.35 -0.22 3.88 0.40 -1.15 -3.00 117.98 122.86 2yz0 s PHE 68 Ca 0.05 0.34 0.02 0.00 -0.60 0.00 0.00 56.93 56.73 2yz0 s PHE 68 Cb -0.17 -1.86 0.04 0.00 0.51 0.00 0.00 43.02 41.54 2yz0 s PHE 68 CO 0.07 0.58 -0.15 0.00 0.70 0.00 0.00 175.22 176.42 2yz0 s ALA 69 N -0.92 2.40 -0.85 5.36 0.00 -0.65 -2.91 121.76 124.19 2yz0 s ALA 69 Ca 0.14 -1.47 -0.24 0.00 0.00 0.00 0.00 51.96 50.39 2yz0 s ALA 69 Cb -0.12 -1.38 0.05 0.00 0.00 0.00 0.00 23.12 21.68 2yz0 s ALA 69 CO 0.03 -0.78 1.30 -1.64 0.00 0.00 0.00 175.76 174.67 2yz0 s MET 70 N 1.21 3.37 0.98 0.00 -1.94 -1.26 -3.03 119.30 118.63 2yz0 s MET 70 Ca -0.02 -0.76 -0.14 0.00 -1.71 0.00 0.00 55.69 53.06 2yz0 s MET 70 Cb -0.16 -4.70 0.03 0.00 2.01 0.00 0.00 34.83 32.01 2yz0 s MET 70 CO -0.09 -2.11 0.24 0.25 -0.01 0.00 0.00 175.02 173.30 2yz0 n THR 71 N 6.46 0.00 0.38 2.05 -2.24 -1.26 -4.80 114.28 114.87 2yz0 n THR 71 Ca 0.15 -0.23 0.12 0.00 -2.27 0.00 0.00 64.05 61.83 2yz0 n THR 71 Cb 0.49 -0.57 0.51 0.00 -2.10 0.00 0.00 70.33 68.67 2yz0 n THR 71 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2yz0 h PRO 72 N -1.59 0.00 0.00 -0.78 0.13 -1.94 -2.73 132.00 125.08 2yz0 h PRO 72 Ca -0.45 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.66 2yz0 h PRO 72 Cb 1.30 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 2yz0 h PRO 72 CO 0.34 0.00 -1.96 -1.33 -0.23 0.00 0.00 178.00 174.82 2yz0 n MET 73 N -2.31 0.64 -1.34 0.86 2.81 -1.26 -4.77 117.12 111.75 2yz0 n MET 73 Ca 0.02 -0.17 -0.37 0.00 -1.81 0.00 0.00 57.70 55.37 2yz0 n MET 73 Cb 0.23 -1.48 0.06 0.00 -0.71 0.00 0.00 33.22 31.32 2yz0 n MET 73 CO 0.00 0.00 0.00 0.98 1.51 0.00 0.00 175.97 178.46 2yz0 n TYR 74 N -2.24 -0.70 0.46 2.03 4.19 -1.03 -1.05 117.16 118.81 2yz0 n TYR 74 Ca -0.06 0.38 0.08 0.00 3.31 0.00 0.00 57.90 61.62 2yz0 n TYR 74 Cb 0.57 -1.94 0.36 0.00 0.49 0.00 0.00 39.34 38.82 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 -0.53 0.06 -0.28 2.98 -0.04 -1.26 -4.82 135.00 131.11 2yz0 n PRO 75 Ca 0.11 0.31 -0.04 0.00 -0.04 0.00 0.00 63.50 63.83 2yz0 n PRO 75 Cb 0.49 -1.61 -0.02 0.00 -0.04 0.00 0.00 33.50 32.33 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 -1.72 -0.13 -3.22 0.54 4.19 -0.22 -4.41 117.16 112.20 2yz0 n TYR 76 Ca 0.03 0.87 -0.18 0.00 3.31 0.00 0.00 57.90 61.93 2yz0 n TYR 76 Cb 0.18 -0.67 0.00 0.00 0.49 0.00 0.00 39.34 39.35 2yz0 n TYR 76 CO 0.00 0.00 0.00 0.95 0.91 0.00 0.00 176.86 178.72 2yz0 s THR 77 N -5.52 3.54 -0.09 2.97 -4.23 -1.24 -5.04 115.64 106.03 2yz0 s THR 77 Ca -0.09 -0.96 -0.21 0.00 -1.18 0.00 0.00 61.69 59.24 2yz0 s THR 77 Cb 0.11 -3.22 -0.04 0.00 1.34 0.00 0.00 72.50 70.70 2yz0 s THR 77 CO 0.47 -0.09 0.60 0.00 -0.54 0.00 0.00 174.62 175.06 2yz0 s ALA 78 N -2.29 3.40 1.17 3.99 0.00 -1.26 -4.33 121.76 122.44 2yz0 s ALA 78 Ca 0.50 -0.02 -0.14 0.00 0.00 0.00 0.00 51.96 52.30 2yz0 s ALA 78 Cb -0.10 -2.81 0.21 0.00 0.00 0.00 0.00 23.12 20.41 2yz0 s ALA 78 CO 0.32 -0.06 0.73 -0.35 0.00 0.00 0.00 175.76 176.41 2yz0 n PRO 79 N 3.74 -2.46 -4.84 0.00 -0.04 -1.26 -4.88 135.00 125.26 2yz0 n PRO 79 Ca -0.04 -1.17 -0.32 0.00 -0.04 0.00 0.00 63.50 61.92 2yz0 n PRO 79 Cb 0.51 -1.10 -0.13 0.00 -0.04 0.00 0.00 33.50 32.74 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 -4.67 2.41 -0.00 0.54 2.12 -1.17 -4.92 118.70 113.01 2yz0 s GLU 80 Ca 0.48 -0.76 0.03 0.00 0.36 0.00 0.00 54.97 55.08 2yz0 s GLU 80 Cb -0.05 -2.34 -0.01 0.00 0.26 0.00 0.00 34.13 32.00 2yz0 s GLU 80 CO 0.37 0.61 -0.09 0.42 -0.54 0.00 0.00 175.26 176.02 2yz0 s ILE 81 N -0.78 0.68 -0.06 -3.70 -1.09 -1.25 -1.64 121.20 113.37 2yz0 s ILE 81 Ca 0.12 -0.44 -0.13 0.00 -2.23 0.00 0.00 60.65 57.98 2yz0 s ILE 81 Cb -0.11 -0.59 0.03 0.00 -1.58 0.00 0.00 42.46 40.21 2yz0 s ILE 81 CO 0.02 0.15 0.31 -1.83 -1.23 0.00 0.00 174.94 172.35 2yz0 s GLU 82 N -0.33 0.54 -0.04 2.79 -1.05 -1.16 -4.97 118.70 114.47 2yz0 s GLU 82 Ca 0.02 0.07 -0.08 0.00 -0.15 0.00 0.00 54.97 54.83 2yz0 s GLU 82 Cb -0.04 0.24 -0.05 0.00 -0.44 0.00 0.00 34.13 33.85 2yz0 s GLU 82 CO -0.00 -0.12 0.25 -0.06 0.95 0.00 0.00 175.26 176.27 2yz0 s PHE 83 N -0.70 3.61 0.38 4.83 0.08 -1.26 -2.16 117.98 122.77 2yz0 s PHE 83 Ca -0.08 0.63 0.04 0.00 0.12 0.00 0.00 56.93 57.64 2yz0 s PHE 83 Cb -0.04 -2.02 -0.05 0.00 -0.57 0.00 0.00 43.02 40.34 2yz0 s PHE 83 CO 0.02 0.66 0.07 0.15 -0.10 0.00 0.00 175.22 176.03 2yz0 s LYS 84 N -1.38 1.84 0.00 0.44 -0.14 -0.74 -4.90 119.74 114.86 2yz0 s LYS 84 Ca 0.22 -2.08 0.00 0.00 -1.36 0.00 0.00 55.97 52.75 2yz0 s LYS 84 Cb -0.13 -0.94 0.00 0.00 -1.68 0.00 0.00 37.83 35.08 2yz0 s LYS 84 CO 0.11 -0.29 0.00 0.09 -0.76 0.00 0.00 175.35 174.50 2yz0 n ASN 85 N -0.99 0.00 -2.11 2.83 5.03 -1.26 -2.87 115.26 115.90 2yz0 n ASN 85 Ca -0.06 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.39 2yz0 n ASN 85 Cb 0.66 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.42 2yz0 n ASN 85 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.26 176.76 2yz0 n VAL 86 N 0.00 -1.15 0.00 2.41 0.24 -1.01 -4.95 118.33 113.87 2yz0 n VAL 86 Ca 0.00 0.27 0.00 0.00 -2.04 0.00 0.00 64.34 62.57 2yz0 n VAL 86 Cb 0.00 -1.79 0.00 0.00 -1.47 0.00 0.00 33.84 30.58 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 1.07 0.00 -0.72 7.34 10.64 -1.24 -4.54 117.38 129.94 2yz0 n GLN 87 Ca 0.00 0.07 -0.06 0.00 -1.83 0.00 0.00 57.00 55.17 2yz0 n GLN 87 Cb 0.27 -0.41 -0.09 0.00 -0.86 0.00 0.00 30.24 29.16 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 -1.93 4.92 -3.98 2.61 3.02 -1.26 -4.78 115.26 113.86 2yz0 n ASN 88 Ca 0.00 -2.37 -0.16 0.00 -0.03 0.00 0.00 54.58 52.02 2yz0 n ASN 88 Cb 0.00 -1.20 -0.14 0.00 -0.61 0.00 0.00 39.78 37.83 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 0.69 0.49 -0.12 2.41 1.01 -1.26 -4.83 120.40 118.78 2yz0 s VAL 89 Ca 0.34 -0.27 -0.09 0.00 0.00 0.00 0.00 61.98 61.96 2yz0 s VAL 89 Cb 0.16 -0.41 -0.03 0.00 0.00 0.00 0.00 36.38 36.10 2yz0 s VAL 89 CO 0.00 0.13 -0.17 0.23 0.00 0.00 0.00 175.10 175.29 2yz0 n MET 90 N 2.91 0.37 0.00 2.72 2.81 -1.26 -5.03 117.12 119.64 2yz0 n MET 90 Ca -0.13 0.41 0.00 0.00 -1.81 0.00 0.00 57.70 56.17 2yz0 n MET 90 Cb 0.58 -1.45 0.00 0.00 -0.71 0.00 0.00 33.22 31.63 2yz0 n MET 90 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2yz0 n ASP 91 N -4.13 0.00 -0.07 7.83 2.03 -1.26 -5.01 116.55 115.94 2yz0 n ASP 91 Ca -0.07 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.14 2yz0 n ASP 91 Cb 0.25 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.62 2yz0 n ASP 91 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 2yz0 h SER 92 N 0.00 0.32 0.01 1.67 0.87 -2.00 -1.93 113.55 112.49 2yz0 h SER 92 Ca 0.00 -0.15 -0.16 0.00 -1.23 0.00 0.00 61.79 60.25 2yz0 h SER 92 Cb 0.00 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 2yz0 h SER 92 CO 0.00 0.38 -0.55 0.06 -0.53 0.00 0.00 176.83 176.19 2yz0 h GLN 93 N 0.23 0.57 -0.19 2.24 -0.00 -1.99 -2.69 115.11 113.28 2yz0 h GLN 93 Ca 0.08 -0.36 0.02 0.00 -0.00 0.00 0.00 58.65 58.39 2yz0 h GLN 93 Cb 0.15 0.04 -0.02 0.00 -0.00 0.00 0.00 27.48 27.65 2yz0 h GLN 93 CO -0.01 0.97 0.05 -0.07 -0.00 0.00 0.00 178.83 179.77 2yz0 h LEU 94 N 0.44 0.03 -1.14 0.06 3.38 -1.91 -2.09 115.31 114.07 2yz0 h LEU 94 Ca 0.01 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 2yz0 h LEU 94 Cb 1.10 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 2yz0 h LEU 94 CO 0.10 0.04 -0.17 1.56 0.09 0.00 0.00 178.44 180.07 2yz0 h GLN 95 N 0.13 0.39 -0.68 1.13 1.08 -1.36 -2.64 115.11 113.16 2yz0 h GLN 95 Ca 0.09 -0.12 0.02 0.00 -1.45 0.00 0.00 58.65 57.18 2yz0 h GLN 95 Cb 0.07 -0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.43 2yz0 h GLN 95 CO -0.11 0.56 0.45 1.98 -0.95 0.00 0.00 178.83 180.76 2yz0 h MET 96 N 0.36 0.87 -0.38 1.46 1.85 -1.04 -2.34 114.93 115.71 2yz0 h MET 96 Ca 0.07 -0.05 -0.07 0.00 -0.61 0.00 0.00 59.70 59.04 2yz0 h MET 96 Cb 0.51 -0.20 -0.01 0.00 0.43 0.00 0.00 31.60 32.33 2yz0 h MET 96 CO 0.03 0.57 -0.02 -0.07 -0.40 0.00 0.00 176.91 177.03 2yz0 h LEU 97 N 0.89 0.68 -1.30 3.39 3.38 -1.06 -2.88 115.31 118.41 2yz0 h LEU 97 Ca 0.26 -0.32 0.11 0.00 0.09 0.00 0.00 57.88 58.02 2yz0 h LEU 97 Cb -0.05 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.45 2yz0 h LEU 97 CO -0.06 0.84 0.55 0.11 0.09 0.00 0.00 178.44 179.96 2yz0 h LYS 98 N 0.50 0.73 -0.55 1.13 1.79 -1.37 -0.85 116.57 117.95 2yz0 h LYS 98 Ca 0.11 -0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.51 2yz0 h LYS 98 Cb 0.50 -0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 30.96 2yz0 h LYS 98 CO 0.02 0.48 0.26 0.77 -1.08 0.00 0.00 179.45 179.91 2yz0 h SER 99 N 0.75 0.72 0.83 0.86 0.02 -1.28 -2.26 113.55 113.18 2yz0 h SER 99 Ca 0.40 -0.13 -0.06 0.00 -0.84 0.00 0.00 61.79 61.17 2yz0 h SER 99 Cb 0.53 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 2yz0 h SER 99 CO -0.17 0.65 -0.27 -0.33 -1.14 0.00 0.00 176.83 175.57 2yz0 h GLU 100 N 0.74 0.00 -0.93 3.45 4.39 -1.18 -3.06 114.58 118.00 2yz0 h GLU 100 Ca 0.19 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.90 2yz0 h GLU 100 Cb 0.12 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.72 2yz0 h GLU 100 CO -0.02 0.27 0.61 0.74 -1.16 0.00 0.00 179.01 179.45 2yz0 h PHE 101 N 0.00 1.15 -0.79 4.33 -1.00 -0.59 -1.04 116.94 119.01 2yz0 h PHE 101 Ca -0.00 0.03 -0.04 0.00 2.81 0.00 0.00 57.97 60.76 2yz0 h PHE 101 Cb 0.76 -0.39 -0.04 0.00 3.61 0.00 0.00 35.95 39.90 2yz0 h PHE 101 CO 0.00 0.71 0.32 -0.22 -1.61 0.00 0.00 178.31 177.51 2yz0 h LYS 102 N 1.23 1.18 -0.33 1.51 1.63 -1.48 -1.21 116.57 119.11 2yz0 h LYS 102 Ca 0.35 -0.21 -0.11 0.00 -0.85 0.00 0.00 60.65 59.83 2yz0 h LYS 102 Cb -0.10 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 31.32 2yz0 h LYS 102 CO -0.09 0.95 -0.26 -0.22 -3.45 0.00 0.00 179.45 176.38 2yz0 h LYS 103 N 1.14 0.66 -0.13 1.90 3.64 -1.49 -1.59 116.57 120.71 2yz0 h LYS 103 Ca 0.26 -0.27 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 2yz0 h LYS 103 Cb 0.20 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.99 2yz0 h LYS 103 CO -0.02 0.86 -0.03 0.82 -2.27 0.00 0.00 179.45 178.81 2yz0 h ILE 104 N 0.58 1.29 -0.64 2.00 2.04 -0.84 -2.59 117.51 119.35 2yz0 h ILE 104 Ca 0.08 -0.97 -0.03 0.00 1.00 0.00 0.00 64.86 64.94 2yz0 h ILE 104 Cb 0.75 1.66 -0.03 0.00 -0.74 0.00 0.00 36.82 38.46 2yz0 h ILE 104 CO 0.06 0.28 0.28 -0.74 0.00 0.00 0.00 178.15 178.03 2yz0 h HIS 105 N -0.06 0.96 -0.87 1.37 2.76 -1.19 0.63 115.15 118.74 2yz0 h HIS 105 Ca 0.03 -0.06 0.05 0.00 -2.20 0.00 0.00 60.37 58.19 2yz0 h HIS 105 Cb 0.45 -0.29 -0.05 0.00 1.55 0.00 0.00 27.41 29.06 2yz0 h HIS 105 CO 0.05 0.74 0.57 -0.91 -1.30 0.00 0.00 177.93 177.08 2yz0 h ASN 106 N 0.90 0.89 0.99 3.26 2.35 -1.26 0.33 115.58 123.04 2yz0 h ASN 106 Ca 0.22 -0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.88 2yz0 h ASN 106 Cb 0.17 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 2yz0 h ASN 106 CO -0.02 0.59 -1.06 0.00 -1.65 0.00 0.00 177.43 175.29 2yz0 h THR 107 N 1.02 0.33 -0.90 2.81 1.03 -1.06 -3.35 112.91 112.79 2yz0 h THR 107 Ca 0.36 -1.60 -0.59 0.00 -0.01 0.00 0.00 66.41 64.57 2yz0 h THR 107 Cb 0.14 1.89 -0.39 0.00 -1.07 0.00 0.00 68.15 68.72 2yz0 h THR 107 CO -0.12 0.19 -0.35 -1.20 -0.01 0.00 0.00 175.52 174.03 2yz0 n SER 108 N -2.87 5.66 -4.46 0.00 7.64 0.22 -4.95 113.62 114.85 2yz0 n SER 108 Ca -0.04 -3.76 -0.44 0.00 1.01 0.00 0.00 58.87 55.65 2yz0 n SER 108 Cb 0.70 -0.52 -0.03 0.00 -1.01 0.00 0.00 64.21 63.35 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 -3.66 3.56 0.00 1.43 3.52 0.11 -3.60 118.95 120.31 2yz0 s ARG 109 Ca 0.54 -1.65 0.00 0.00 -0.13 0.00 0.00 55.73 54.49 2yz0 s ARG 109 Cb 0.43 -4.90 0.00 0.00 -1.56 0.00 0.00 34.95 28.93 2yz0 s ARG 109 CO -0.00 -1.80 0.00 0.41 -0.81 0.00 0.00 175.30 173.09 2yz0 n GLY 110 N 5.58 -0.08 0.00 8.12 0.00 -1.26 -5.01 105.19 112.54 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 0.61 0.00 0.00 0.00 173.32 173.93 2yz0 n GLN 111 N 0.00 0.78 -2.71 1.61 10.64 -1.24 -4.88 117.38 121.58 2yz0 n GLN 111 Ca 0.00 0.00 -0.42 0.00 -1.83 0.00 0.00 57.00 54.75 2yz0 n GLN 111 Cb 0.00 0.00 -0.04 0.00 -0.86 0.00 0.00 30.24 29.34 2yz0 n GLN 111 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 2yz0 s GLU 112 N 1.74 4.62 0.00 2.61 2.02 -1.26 -4.91 118.70 123.53 2yz0 s GLU 112 Ca 0.00 1.45 0.00 0.00 0.02 0.00 0.00 54.97 56.44 2yz0 s GLU 112 Cb 0.00 -3.41 0.00 0.00 0.10 0.00 0.00 34.13 30.82 2yz0 s GLU 112 CO 0.00 0.07 0.00 0.44 0.02 0.00 0.00 175.26 175.79 2yz0 n ILE 113 N 3.34 0.00 -0.28 -1.63 -5.35 -1.26 -4.70 119.36 109.49 2yz0 n ILE 113 Ca 0.04 -0.26 -0.05 0.00 -0.27 0.00 0.00 62.75 62.21 2yz0 n ILE 113 Cb 0.50 0.85 0.08 0.00 -1.74 0.00 0.00 39.64 39.33 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 1.26 -0.27 7.28 5.03 -1.98 -0.83 117.51 128.00 2yz0 h ILE 114 Ca 0.00 -0.80 -0.17 0.00 -0.12 0.00 0.00 64.86 63.77 2yz0 h ILE 114 Cb 0.00 0.30 -0.00 0.00 -3.03 0.00 0.00 36.82 34.09 2yz0 h ILE 114 CO 0.00 0.33 -0.52 0.15 -0.68 0.00 0.00 178.15 177.43 2yz0 h PHE 115 N 1.14 0.98 -0.40 1.37 3.57 -1.97 -2.16 116.94 119.47 2yz0 h PHE 115 Ca 0.26 -0.34 -0.05 0.00 3.53 0.00 0.00 57.97 61.38 2yz0 h PHE 115 Cb 0.20 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 2yz0 h PHE 115 CO 0.02 1.14 0.05 0.93 -2.23 0.00 0.00 178.31 178.22 2yz0 h GLU 116 N 0.61 0.67 -0.67 1.11 4.39 -1.77 -0.48 114.58 118.43 2yz0 h GLU 116 Ca 0.02 -0.19 -0.08 0.00 0.34 0.00 0.00 59.36 59.46 2yz0 h GLU 116 Cb 1.10 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.65 2yz0 h GLU 116 CO 0.11 0.73 0.11 0.97 -1.16 0.00 0.00 179.01 179.77 2yz0 h ILE 117 N 0.51 1.26 -0.37 3.13 2.10 -1.15 -0.95 117.51 122.04 2yz0 h ILE 117 Ca 0.12 -1.04 -0.09 0.00 1.08 0.00 0.00 64.86 64.93 2yz0 h ILE 117 Cb 0.39 0.63 -0.01 0.00 -1.09 0.00 0.00 36.82 36.74 2yz0 h ILE 117 CO 0.01 0.39 -0.11 0.71 -1.08 0.00 0.00 178.15 178.07 2yz0 h THR 118 N 1.04 1.28 -0.08 2.19 1.35 -1.26 0.00 112.91 117.43 2yz0 h THR 118 Ca 0.20 -1.20 -0.08 0.00 -0.55 0.00 0.00 66.41 64.78 2yz0 h THR 118 Cb 0.44 1.28 -0.01 0.00 -1.73 0.00 0.00 68.15 68.13 2yz0 h THR 118 CO 0.01 0.40 -0.34 -1.28 -0.25 0.00 0.00 175.52 174.06 2yz0 h SER 119 N 0.53 0.15 0.21 5.36 0.87 -0.96 0.01 113.55 119.72 2yz0 h SER 119 Ca 0.09 -0.05 -0.28 0.00 -1.23 0.00 0.00 61.79 60.32 2yz0 h SER 119 Cb 0.63 -0.04 0.02 0.00 -0.44 0.00 0.00 62.40 62.57 2yz0 h SER 119 CO 0.04 0.48 -1.19 0.15 -0.53 0.00 0.00 176.83 175.78 2yz0 h PHE 120 N 0.13 0.90 -0.21 2.24 3.04 -1.01 -2.47 116.94 119.56 2yz0 h PHE 120 Ca 0.02 -0.56 -0.15 0.00 3.98 0.00 0.00 57.97 61.26 2yz0 h PHE 120 Cb 0.67 -0.07 0.00 0.00 2.56 0.00 0.00 35.95 39.10 2yz0 h PHE 120 CO 0.01 1.40 -0.46 1.79 -2.02 0.00 0.00 178.31 179.03 2yz0 h THR 121 N 0.26 1.31 -0.55 4.41 1.35 -0.83 -1.76 112.91 117.10 2yz0 h THR 121 Ca -0.16 -1.68 -0.09 0.00 -0.55 0.00 0.00 66.41 63.93 2yz0 h THR 121 Cb 1.86 1.84 -0.02 0.00 -1.73 0.00 0.00 68.15 70.10 2yz0 h THR 121 CO 0.22 0.53 -0.00 0.06 -0.25 0.00 0.00 175.52 176.08 2yz0 h GLN 122 N 0.39 0.97 -0.26 4.72 -0.00 -1.09 -0.23 115.11 119.61 2yz0 h GLN 122 Ca 0.00 -0.31 -0.11 0.00 -0.00 0.00 0.00 58.65 58.23 2yz0 h GLN 122 Cb 1.06 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.48 28.44 2yz0 h GLN 122 CO 0.10 0.98 -0.32 1.05 -0.00 0.00 0.00 178.83 180.64 2yz0 h GLU 123 N 0.85 0.54 -0.13 0.06 4.11 -1.46 -1.13 114.58 117.41 2yz0 h GLU 123 Ca 0.16 -0.23 -0.11 0.00 0.07 0.00 0.00 59.36 59.24 2yz0 h GLU 123 Cb 0.54 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2yz0 h GLU 123 CO 0.03 0.79 -0.36 -0.22 0.07 0.00 0.00 179.01 179.32 2yz0 h LYS 124 N 0.46 0.48 -0.65 1.06 1.63 -1.12 -2.30 116.57 116.13 2yz0 h LYS 124 Ca 0.05 -0.34 -0.08 0.00 -0.85 0.00 0.00 60.65 59.44 2yz0 h LYS 124 Cb 0.78 0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.44 2yz0 h LYS 124 CO 0.06 0.96 0.11 1.37 -3.45 0.00 0.00 179.45 178.50 2yz0 h LEU 125 N 0.09 1.04 -0.36 5.20 8.10 -0.99 -1.44 115.31 126.95 2yz0 h LEU 125 Ca -0.01 -0.26 -0.02 0.00 0.11 0.00 0.00 57.88 57.70 2yz0 h LEU 125 Cb 0.98 -0.28 -0.02 0.00 -0.44 0.00 0.00 40.66 40.91 2yz0 h LEU 125 CO 0.08 1.03 0.13 -2.24 -4.11 0.00 0.00 178.44 173.33 2yz0 h ASP 126 N 1.00 0.51 0.33 0.17 3.04 -1.23 -2.58 116.42 117.65 2yz0 h ASP 126 Ca 0.20 -0.19 -0.06 0.00 -3.24 0.00 0.00 57.03 53.74 2yz0 h ASP 126 Cb 0.44 -0.13 -0.01 0.00 -1.04 0.00 0.00 39.33 38.59 2yz0 h ASP 126 CO 0.01 0.56 -0.29 1.05 -2.04 0.00 0.00 179.24 178.53 2yz0 h GLU 127 N 0.43 0.00 0.77 4.15 -0.00 -1.28 -3.15 114.58 115.50 2yz0 h GLU 127 Ca 0.12 0.00 -0.04 0.00 -0.00 0.00 0.00 59.36 59.44 2yz0 h GLU 127 Cb 0.22 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 28.98 2yz0 h GLU 127 CO -0.01 0.29 -0.37 0.35 -0.00 0.00 0.00 179.01 179.27 2yz0 h PHE 128 N 0.00 -0.96 -0.18 2.06 3.57 -0.87 -2.02 116.94 118.54 2yz0 h PHE 128 Ca -0.00 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.53 2yz0 h PHE 128 Cb 0.53 0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.58 2yz0 h PHE 128 CO 0.00 -0.58 0.59 1.96 -2.23 0.00 0.00 178.31 178.04 2yz0 h GLN 129 N -1.11 0.00 0.19 1.11 4.20 -1.47 1.11 115.11 119.15 2yz0 h GLN 129 Ca -0.11 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.31 2yz0 h GLN 129 Cb 0.81 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.61 2yz0 h GLN 129 CO 0.17 0.00 -1.40 -0.97 -0.67 0.00 0.00 178.83 175.96 2yz0 h ASN 130 N 0.00 0.63 -0.46 1.46 -0.73 -1.44 -3.35 115.58 111.69 2yz0 h ASN 130 Ca 0.09 -0.92 -0.14 0.00 1.87 0.00 0.00 56.30 57.19 2yz0 h ASN 130 Cb 1.26 -0.20 -0.09 0.00 0.27 0.00 0.00 38.32 39.56 2yz0 h ASN 130 CO -0.00 1.65 0.09 1.33 -0.37 0.00 0.00 177.43 180.13 2yz0 n VAL 131 N -3.81 2.61 -1.67 2.57 0.24 0.13 -5.01 118.33 113.39 2yz0 n VAL 131 Ca -0.20 -2.08 -0.45 0.00 -2.04 0.00 0.00 64.34 59.57 2yz0 n VAL 131 Cb 1.00 -0.32 -0.04 0.00 -1.47 0.00 0.00 33.84 33.02 2yz0 n VAL 131 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 2yz0 n VAL 132 N -0.64 0.67 -1.56 3.34 3.14 0.34 -4.87 118.33 118.75 2yz0 n VAL 132 Ca 0.33 -0.12 -0.24 0.00 -2.96 0.00 0.00 64.34 61.34 2yz0 n VAL 132 Cb 1.12 -2.10 0.10 0.00 -1.06 0.00 0.00 33.84 31.90 2yz0 n VAL 132 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 2yz0 n ASN 133 N 7.06 5.37 -3.68 6.55 3.02 -1.26 -4.92 115.26 127.41 2yz0 n ASN 133 Ca 0.21 -3.76 -0.14 0.00 -0.03 0.00 0.00 54.58 50.86 2yz0 n ASN 133 Cb 0.35 -0.70 -0.14 0.00 -0.61 0.00 0.00 39.78 38.68 2yz0 n ASN 133 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2yz0 s THR 134 N -4.28 -0.32 0.35 3.41 -4.23 -1.26 -5.02 115.64 104.29 2yz0 s THR 134 Ca 0.56 0.28 0.23 0.00 -1.18 0.00 0.00 61.69 61.58 2yz0 s THR 134 Cb 0.46 -0.39 0.37 0.00 1.34 0.00 0.00 72.50 74.27 2yz0 s THR 134 CO 0.02 0.12 1.35 1.67 -0.54 0.00 0.00 174.62 177.23 2yz0 n GLN 135 N 5.16 -0.04 -4.23 3.99 7.27 -1.26 -4.73 117.38 123.54 2yz0 n GLN 135 Ca -0.09 1.13 -0.31 0.00 0.07 0.00 0.00 57.00 57.80 2yz0 n GLN 135 Cb 0.50 -2.12 -0.07 0.00 2.41 0.00 0.00 30.24 30.96 2yz0 n GLN 135 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 2yz0 n SER 136 N -4.68 0.12 -4.37 1.69 3.41 -1.26 -4.90 113.62 103.64 2yz0 n SER 136 Ca 0.34 -1.19 -0.40 0.00 -0.26 0.00 0.00 58.87 57.36 2yz0 n SER 136 Cb 1.23 -2.06 -0.11 0.00 -0.26 0.00 0.00 64.21 63.00 2yz0 n SER 136 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2yz0 s LEU 137 N -7.25 4.66 0.00 1.04 1.98 -1.26 -5.01 118.68 112.83 2yz0 s LEU 137 Ca 0.12 -1.00 0.00 0.00 -2.89 0.00 0.00 54.13 50.36 2yz0 s LEU 137 Cb -0.07 -2.01 0.00 0.00 0.66 0.00 0.00 46.19 44.78 2yz0 s LEU 137 CO 0.97 -0.37 0.00 1.21 -1.89 0.00 0.00 176.35 176.26