#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yu6 n SER 2 N 0.00 -1.41 -0.10 1.61 3.41 -1.26 -4.80 113.62 111.08 2yu6 n SER 2 Ca 0.00 -1.16 -0.20 0.00 -0.26 0.00 0.00 58.87 57.25 2yu6 n SER 2 Cb 0.00 -1.48 -0.10 0.00 -0.26 0.00 0.00 64.21 62.37 2yu6 n SER 2 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2yu6 h SER 3 N -0.89 0.00 0.00 4.04 0.02 -2.10 -3.51 113.55 111.11 2yu6 h SER 3 Ca -0.56 -0.45 0.00 0.00 -0.84 0.00 0.00 61.79 59.94 2yu6 h SER 3 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 2yu6 h SER 3 CO 0.81 1.40 0.00 0.61 -1.14 0.00 0.00 176.83 178.51 2yu6 n GLY 4 N 1.46 -0.69 2.55 -3.77 0.00 -1.26 -5.01 105.19 98.46 2yu6 n GLY 4 Ca -0.29 0.63 -0.13 0.00 0.00 0.00 0.00 46.02 46.23 2yu6 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2yu6 n SER 5 N 0.00 2.82 -4.68 1.61 3.41 -1.26 -5.07 113.62 110.45 2yu6 n SER 5 Ca 0.00 -2.90 -0.43 0.00 -0.26 0.00 0.00 58.87 55.28 2yu6 n SER 5 Cb 0.00 -0.46 -0.02 0.00 -0.26 0.00 0.00 64.21 63.46 2yu6 n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2yu6 s SER 6 N -3.51 7.06 -0.08 4.04 1.04 -1.26 -4.96 113.70 116.02 2yu6 s SER 6 Ca 0.36 1.68 -0.31 0.00 0.48 0.00 0.00 55.95 58.16 2yu6 s SER 6 Cb 0.39 -2.55 0.10 0.00 0.10 0.00 0.00 66.02 64.06 2yu6 s SER 6 CO -0.03 -0.62 1.36 -0.83 0.98 0.00 0.00 173.24 174.11 2yu6 s GLY 7 N 1.51 -0.21 0.35 7.32 0.00 -1.26 -4.95 107.32 110.09 2yu6 s GLY 7 Ca 0.53 0.16 -0.25 0.00 0.00 0.00 0.00 44.72 45.16 2yu6 s GLY 7 CO 0.17 6.69 0.95 0.54 0.00 0.00 0.00 173.10 181.45 2yu6 s VAL 8 N -2.00 4.26 0.43 1.40 0.11 -1.26 -3.74 120.40 119.60 2yu6 s VAL 8 Ca 0.32 1.73 0.08 0.00 -2.93 0.00 0.00 61.98 61.18 2yu6 s VAL 8 Cb 0.00 -3.89 -0.00 0.00 -1.53 0.00 0.00 36.38 30.95 2yu6 s VAL 8 CO -0.03 0.01 0.48 -0.13 -3.33 0.00 0.00 175.10 172.11 2yu6 s ARG 9 N -2.37 2.66 -0.09 1.54 1.81 -1.09 -4.91 118.95 116.49 2yu6 s ARG 9 Ca 0.53 -1.41 0.01 0.00 -1.72 0.00 0.00 55.73 53.15 2yu6 s ARG 9 Cb -0.16 -2.56 0.02 0.00 -0.45 0.00 0.00 34.95 31.80 2yu6 s ARG 9 CO 0.21 -0.26 -0.11 0.71 -0.68 0.00 0.00 175.30 175.17 2yu6 s TYR 10 N -2.43 1.51 0.25 -0.53 1.51 -1.25 -0.11 117.35 116.30 2yu6 s TYR 10 Ca 0.52 -0.65 0.06 0.00 -1.01 0.00 0.00 57.07 55.99 2yu6 s TYR 10 Cb -0.06 -1.16 -0.05 0.00 -0.11 0.00 0.00 41.96 40.57 2yu6 s TYR 10 CO 0.31 -0.39 -0.07 -0.06 -1.11 0.00 0.00 175.55 174.23 2yu6 s PHE 11 N 1.09 1.80 -0.17 2.71 0.08 0.10 -1.46 117.98 122.13 2yu6 s PHE 11 Ca -0.06 -0.72 0.01 0.00 0.12 0.00 0.00 56.93 56.28 2yu6 s PHE 11 Cb -0.14 -0.99 0.01 0.00 -0.57 0.00 0.00 43.02 41.33 2yu6 s PHE 11 CO -0.01 0.23 -0.19 0.42 -0.10 0.00 0.00 175.22 175.57 2yu6 s ILE 12 N -3.09 2.24 -0.36 0.64 -1.09 -1.09 -0.34 121.20 118.11 2yu6 s ILE 12 Ca 0.27 -0.89 -0.05 0.00 -2.23 0.00 0.00 60.65 57.75 2yu6 s ILE 12 Cb 0.03 -1.94 0.06 0.00 -1.58 0.00 0.00 42.46 39.03 2yu6 s ILE 12 CO 0.10 0.53 0.13 -0.04 -1.23 0.00 0.00 174.94 174.43 2yu6 s MET 13 N 1.17 2.48 -0.03 2.79 -1.94 0.20 -1.92 119.30 122.06 2yu6 s MET 13 Ca 0.02 -1.35 -0.18 0.00 -1.71 0.00 0.00 55.69 52.46 2yu6 s MET 13 Cb -0.14 -3.49 -0.05 0.00 2.01 0.00 0.00 34.83 33.16 2yu6 s MET 13 CO -0.09 -0.78 0.51 0.15 -0.01 0.00 0.00 175.02 174.81 2yu6 s LYS 14 N 1.33 4.22 -0.08 2.03 -0.14 -1.26 -1.87 119.74 123.97 2yu6 s LYS 14 Ca 0.00 0.58 0.05 0.00 -1.36 0.00 0.00 55.97 55.24 2yu6 s LYS 14 Cb -0.21 -3.33 -0.01 0.00 -1.68 0.00 0.00 37.83 32.61 2yu6 s LYS 14 CO 0.01 0.42 -0.24 0.45 -0.76 0.00 0.00 175.35 175.22 2yu6 s SER 15 N -0.27 3.13 0.13 2.83 0.15 -1.20 -4.83 113.70 113.64 2yu6 s SER 15 Ca 0.28 -0.52 -0.14 0.00 0.70 0.00 0.00 55.95 56.27 2yu6 s SER 15 Cb -0.17 -1.07 -0.00 0.00 -1.71 0.00 0.00 66.02 63.06 2yu6 s SER 15 CO 0.14 0.21 1.61 0.28 1.20 0.00 0.00 173.24 176.68 2yu6 h SER 16 N 6.30 0.69 -3.66 5.45 0.02 -1.92 -0.39 113.55 120.04 2yu6 h SER 16 Ca -0.27 -0.27 -0.45 0.00 -0.84 0.00 0.00 61.79 59.95 2yu6 h SER 16 Cb 1.20 -0.18 -0.17 0.00 0.14 0.00 0.00 62.40 63.39 2yu6 h SER 16 CO 0.47 0.79 -0.76 0.21 -1.14 0.00 0.00 176.83 176.41 2yu6 s ASN 17 N -6.15 2.36 0.03 3.07 3.84 -1.26 -4.61 114.94 112.22 2yu6 s ASN 17 Ca -0.13 -0.90 -0.22 0.00 0.21 0.00 0.00 52.86 51.83 2yu6 s ASN 17 Cb 0.10 -0.11 -0.15 0.00 -0.55 0.00 0.00 41.25 40.54 2yu6 s ASN 17 CO 0.79 -0.13 1.39 0.25 -2.79 0.00 0.00 177.10 176.61 2yu6 h LEU 18 N 3.13 0.23 -0.91 3.21 7.12 -1.97 -3.27 115.31 122.85 2yu6 h LEU 18 Ca -0.40 -0.41 0.10 0.00 0.13 0.00 0.00 57.88 57.30 2yu6 h LEU 18 Cb 1.21 -0.06 -0.12 0.00 -0.53 0.00 0.00 40.66 41.15 2yu6 h LEU 18 CO 0.55 0.59 -0.54 -0.09 -0.13 0.00 0.00 178.44 178.81 2yu6 h ARG 19 N -0.13 -0.05 -1.46 1.25 9.65 -2.00 0.99 114.38 122.63 2yu6 h ARG 19 Ca 0.02 0.00 0.45 0.00 -1.10 0.00 0.00 59.98 59.36 2yu6 h ARG 19 Cb 0.50 0.01 -0.10 0.00 -1.39 0.00 0.00 29.97 28.99 2yu6 h ARG 19 CO 0.01 -0.04 0.99 -0.91 2.80 0.00 0.00 179.97 182.83 2yu6 h ASN 20 N -0.06 0.16 0.41 -3.80 2.35 -2.00 1.49 115.58 114.12 2yu6 h ASN 20 Ca 0.18 0.08 -0.23 0.00 -0.55 0.00 0.00 56.30 55.79 2yu6 h ASN 20 Cb 0.47 0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.91 2yu6 h ASN 20 CO -0.90 -0.09 -0.96 0.25 -1.65 0.00 0.00 177.43 174.08 2yu6 h LEU 21 N 0.07 0.48 -0.93 1.61 5.85 0.87 -3.26 115.31 120.01 2yu6 h LEU 21 Ca 0.80 -0.39 0.20 0.00 0.84 0.00 0.00 57.88 59.34 2yu6 h LEU 21 Cb 2.79 -0.15 -0.11 0.00 0.37 0.00 0.00 40.66 43.56 2yu6 h LEU 21 CO -0.25 1.20 0.49 -0.33 -0.34 0.00 0.00 178.44 179.21 2yu6 h GLU 22 N 0.19 0.54 -0.99 1.25 4.39 0.29 0.17 114.58 120.41 2yu6 h GLU 22 Ca -0.08 -0.03 0.18 0.00 0.34 0.00 0.00 59.36 59.76 2yu6 h GLU 22 Cb 1.60 -0.12 -0.10 0.00 -0.10 0.00 0.00 28.75 30.03 2yu6 h GLU 22 CO 0.16 0.36 0.62 0.82 -1.16 0.00 0.00 179.01 179.80 2yu6 h ILE 23 N 0.55 0.75 0.00 3.13 5.03 -1.57 0.62 117.51 126.03 2yu6 h ILE 23 Ca 0.56 -0.27 0.00 0.00 -0.12 0.00 0.00 64.86 65.03 2yu6 h ILE 23 Cb 0.98 -0.10 0.00 0.00 -3.03 0.00 0.00 36.82 34.67 2yu6 h ILE 23 CO -0.45 0.14 0.00 -1.28 -0.68 0.00 0.00 178.15 175.88 2yu6 h SER 24 N 0.78 0.00 0.43 1.72 0.87 -0.62 0.38 113.55 117.11 2yu6 h SER 24 Ca 0.55 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 60.80 2yu6 h SER 24 Cb 0.84 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.76 2yu6 h SER 24 CO -0.33 0.00 -1.71 1.56 -0.53 0.00 0.00 176.83 175.81 2yu6 h GLN 25 N 0.00 0.09 0.00 2.24 4.20 0.45 -3.15 115.11 118.94 2yu6 h GLN 25 Ca 0.00 -0.15 -0.18 0.00 0.06 0.00 0.00 58.65 58.38 2yu6 h GLN 25 Cb 0.60 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.41 2yu6 h GLN 25 CO 0.00 0.76 -1.57 1.04 -0.67 0.00 0.00 178.83 178.39 2yu6 n GLN 26 N -3.21 0.55 -0.01 1.46 1.13 0.07 -4.55 117.38 112.81 2yu6 n GLN 26 Ca -0.19 0.25 -0.03 0.00 -1.94 0.00 0.00 57.00 55.09 2yu6 n GLN 26 Cb 1.04 -1.47 0.21 0.00 0.11 0.00 0.00 30.24 30.14 2yu6 n GLN 26 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 2yu6 h LYS 27 N -1.00 0.55 -0.06 -1.09 1.79 -0.45 -3.47 116.57 112.84 2yu6 h LYS 27 Ca -0.27 -0.18 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 2yu6 h LYS 27 Cb 1.22 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 2yu6 h LYS 27 CO -0.16 0.69 0.00 0.41 -1.08 0.00 0.00 179.45 179.31 2yu6 n GLY 28 N -0.52 0.74 3.22 3.86 0.00 -1.05 -5.00 105.19 106.45 2yu6 n GLY 28 Ca 0.00 -0.68 -0.09 0.00 0.00 0.00 0.00 46.02 45.25 2yu6 n GLY 28 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2yu6 s ILE 29 N -2.06 0.11 -0.00 -0.61 -5.25 -1.25 -2.57 121.20 109.56 2yu6 s ILE 29 Ca 0.00 -1.57 0.00 0.00 -0.99 0.00 0.00 60.65 58.09 2yu6 s ILE 29 Cb 0.00 -1.77 0.00 0.00 2.95 0.00 0.00 42.46 43.64 2yu6 s ILE 29 CO 0.00 -0.51 -0.00 0.86 -1.79 0.00 0.00 174.94 173.50 2yu6 s TRP 30 N -3.97 0.07 -0.26 1.37 -0.11 0.78 -3.13 118.94 113.69 2yu6 s TRP 30 Ca 0.16 0.00 0.02 0.00 1.22 0.00 0.00 56.10 57.50 2yu6 s TRP 30 Cb 0.06 -0.08 0.05 0.00 -1.50 0.00 0.00 33.47 32.00 2yu6 s TRP 30 CO -0.03 -0.02 -0.09 -1.54 -4.62 0.00 0.00 176.95 170.65 2yu6 s SER 31 N 0.14 4.44 0.42 5.86 1.04 -1.26 -2.45 113.70 121.89 2yu6 s SER 31 Ca -0.01 -1.29 0.07 0.00 0.48 0.00 0.00 55.95 55.19 2yu6 s SER 31 Cb -0.02 -1.58 -0.06 0.00 0.10 0.00 0.00 66.02 64.46 2yu6 s SER 31 CO -0.00 -0.19 0.13 0.28 0.98 0.00 0.00 173.24 174.44 2yu6 s THR 32 N 1.16 2.15 0.39 2.02 -1.32 -1.26 -5.04 115.64 113.73 2yu6 s THR 32 Ca -0.07 -1.79 -0.27 0.00 -1.21 0.00 0.00 61.69 58.35 2yu6 s THR 32 Cb -0.19 -2.94 -0.11 0.00 -1.51 0.00 0.00 72.50 67.75 2yu6 s THR 32 CO -0.05 0.00 1.42 1.07 -2.21 0.00 0.00 174.62 174.85 2yu6 n THR 33 N -1.17 2.19 0.95 5.08 5.66 -1.26 -4.61 114.28 121.11 2yu6 n THR 33 Ca -0.03 -0.50 0.08 0.00 -3.05 0.00 0.00 64.05 60.55 2yu6 n THR 33 Cb 0.65 -1.83 0.45 0.00 -1.55 0.00 0.00 70.33 68.06 2yu6 n THR 33 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 2yu6 n PRO 34 N 0.32 0.46 0.09 1.09 -0.04 -1.26 -2.19 135.00 133.46 2yu6 n PRO 34 Ca 0.03 0.02 0.12 0.00 -0.04 0.00 0.00 63.50 63.63 2yu6 n PRO 34 Cb 0.39 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.53 2yu6 n PRO 34 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2yu6 h SER 35 N 0.00 0.00 -0.00 3.54 0.87 -1.98 -3.33 113.55 112.65 2yu6 h SER 35 Ca 0.00 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 2yu6 h SER 35 Cb 0.02 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 2yu6 h SER 35 CO 0.00 0.07 -0.03 0.59 -0.53 0.00 0.00 176.83 176.92 2yu6 n ASN 36 N -2.30 0.45 0.24 6.23 3.02 -0.93 -4.63 115.26 117.34 2yu6 n ASN 36 Ca 0.03 -0.72 0.08 0.00 -0.03 0.00 0.00 54.58 53.93 2yu6 n ASN 36 Cb 0.46 0.63 0.59 0.00 -0.61 0.00 0.00 39.78 40.85 2yu6 n ASN 36 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2yu6 h GLU 37 N 0.10 0.00 0.00 3.52 5.08 -1.62 -3.27 114.58 118.38 2yu6 h GLU 37 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2yu6 h GLU 37 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2yu6 h GLU 37 CO 0.00 0.13 0.00 -2.13 -1.00 0.00 0.00 179.01 176.01 2yu6 n ARG 38 N -4.23 0.00 -0.01 2.33 0.63 -1.26 -0.11 116.66 114.01 2yu6 n ARG 38 Ca -0.03 0.76 -0.11 0.00 -0.92 0.00 0.00 57.85 57.55 2yu6 n ARG 38 Cb 0.20 -1.32 -0.08 0.00 0.45 0.00 0.00 32.46 31.72 2yu6 n ARG 38 CO 0.00 0.00 0.00 1.57 -2.51 0.00 0.00 177.63 176.69 2yu6 h LYS 39 N 0.00 -0.42 -0.91 -0.14 2.10 -1.93 0.19 116.57 115.47 2yu6 h LYS 39 Ca 0.00 0.03 0.26 0.00 -2.00 0.00 0.00 60.65 58.94 2yu6 h LYS 39 Cb 0.00 0.09 -0.17 0.00 -0.90 0.00 0.00 32.23 31.26 2yu6 h LYS 39 CO 0.00 -0.28 0.06 1.28 -2.00 0.00 0.00 179.45 178.51 2yu6 n LEU 40 N -4.72 -0.07 0.01 7.07 4.77 -1.05 0.14 117.00 123.14 2yu6 n LEU 40 Ca -0.05 1.54 -0.00 0.00 -0.03 0.00 0.00 56.01 57.47 2yu6 n LEU 40 Cb 0.28 -0.58 -0.00 0.00 -2.33 0.00 0.00 43.42 40.80 2yu6 n LEU 40 CO 0.06 -1.57 0.20 0.78 -1.33 0.00 0.00 177.39 175.53 2yu6 h ASN 41 N 0.00 -0.01 -0.16 -1.43 2.35 0.83 -2.83 115.58 114.34 2yu6 h ASN 41 Ca 0.57 0.00 0.03 0.00 -0.55 0.00 0.00 56.30 56.35 2yu6 h ASN 41 Cb 1.21 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.52 2yu6 h ASN 41 CO -0.84 -0.00 -0.50 -0.09 -1.65 0.00 0.00 177.43 174.34 2yu6 h ARG 42 N -0.03 -0.50 -0.81 0.81 9.65 0.04 -2.45 114.38 121.09 2yu6 h ARG 42 Ca -0.00 0.03 0.08 0.00 -1.10 0.00 0.00 59.98 58.99 2yu6 h ARG 42 Cb 0.01 0.11 -0.11 0.00 -1.39 0.00 0.00 29.97 28.60 2yu6 h ARG 42 CO 0.00 -0.33 -0.58 0.00 2.80 0.00 0.00 179.97 181.86 2yu6 h ALA 43 N -0.36 -0.62 -1.86 2.80 0.00 0.11 0.88 119.26 120.22 2yu6 h ALA 43 Ca 0.03 0.08 0.55 0.00 0.00 0.00 0.00 54.91 55.58 2yu6 h ALA 43 Cb 0.62 1.30 -0.09 0.00 0.00 0.00 0.00 17.79 19.61 2yu6 h ALA 43 CO -0.42 -1.00 1.32 0.35 0.00 0.00 0.00 179.25 179.50 2yu6 h PHE 44 N -0.13 0.10 0.00 0.00 3.57 -1.17 1.65 116.94 120.96 2yu6 h PHE 44 Ca 0.13 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.50 2yu6 h PHE 44 Cb 0.47 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 2yu6 h PHE 44 CO -0.93 -0.05 -1.01 0.91 -2.23 0.00 0.00 178.31 174.99 2yu6 n TRP 45 N -4.09 0.89 0.57 0.41 8.01 0.27 -4.10 117.44 119.40 2yu6 n TRP 45 Ca 0.43 0.39 0.05 0.00 -1.31 0.00 0.00 57.50 57.06 2yu6 n TRP 45 Cb 1.92 -0.94 0.29 0.00 -2.01 0.00 0.00 31.31 30.58 2yu6 n TRP 45 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 2yu6 n GLU 46 N -4.50 0.22 -4.39 -0.99 1.02 0.85 -4.71 120.64 108.14 2yu6 n GLU 46 Ca -0.22 0.13 -0.20 0.00 -0.02 0.00 0.00 57.16 56.85 2yu6 n GLU 46 Cb 0.51 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.33 2yu6 n GLU 46 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2yu6 s SER 47 N -2.39 1.85 -0.12 1.62 0.01 0.54 -4.78 113.70 110.43 2yu6 s SER 47 Ca 0.12 -1.43 -0.28 0.00 1.31 0.00 0.00 55.95 55.68 2yu6 s SER 47 Cb 0.07 0.12 -0.24 0.00 0.21 0.00 0.00 66.02 66.18 2yu6 s SER 47 CO 0.15 -0.72 0.85 0.28 0.41 0.00 0.00 173.24 174.21 2yu6 h SER 48 N 2.20 -0.00 -5.61 2.44 0.02 -1.81 -3.43 113.55 107.36 2yu6 h SER 48 Ca -0.39 -0.87 -0.26 0.00 -0.84 0.00 0.00 61.79 59.44 2yu6 h SER 48 Cb 1.25 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.64 2yu6 h SER 48 CO 0.63 0.88 -0.59 -0.63 -1.14 0.00 0.00 176.83 175.98 2yu6 s ILE 49 N -2.60 0.00 -0.27 3.27 1.01 -1.26 -4.98 121.20 116.36 2yu6 s ILE 49 Ca -0.18 -1.98 -0.02 0.00 0.00 0.00 0.00 60.65 58.47 2yu6 s ILE 49 Cb -0.02 -2.49 0.09 0.00 0.01 0.00 0.00 42.46 40.04 2yu6 s ILE 49 CO 0.67 0.00 0.09 -0.69 0.00 0.00 0.00 174.94 175.00 2yu6 s VAL 50 N -4.09 0.58 -0.37 2.92 1.01 -1.26 -2.68 120.40 116.51 2yu6 s VAL 50 Ca 0.39 -1.02 -0.27 0.00 0.00 0.00 0.00 61.98 61.08 2yu6 s VAL 50 Cb 0.06 -1.34 0.02 0.00 0.00 0.00 0.00 36.38 35.12 2yu6 s VAL 50 CO 0.13 -0.55 1.00 -0.31 0.00 0.00 0.00 175.10 175.38 2yu6 s TYR 51 N 1.79 3.06 -0.37 5.22 2.02 0.84 0.07 117.35 129.98 2yu6 s TYR 51 Ca 0.06 0.89 -0.02 0.00 -0.37 0.00 0.00 57.07 57.64 2yu6 s TYR 51 Cb -0.17 -3.78 0.09 0.00 -0.40 0.00 0.00 41.96 37.71 2yu6 s TYR 51 CO -0.22 -0.87 0.13 -0.51 -1.57 0.00 0.00 175.55 172.50 2yu6 s LEU 52 N 3.67 4.82 -0.40 -1.29 1.43 -0.31 0.02 118.68 126.62 2yu6 s LEU 52 Ca 0.42 -1.84 -0.28 0.00 -1.03 0.00 0.00 54.13 51.40 2yu6 s LEU 52 Cb -0.11 -1.77 0.02 0.00 0.03 0.00 0.00 46.19 44.36 2yu6 s LEU 52 CO 0.20 -0.44 1.04 -0.69 0.23 0.00 0.00 176.35 176.68 2yu6 s VAL 53 N 1.14 4.43 -0.08 -1.59 1.01 0.53 -0.99 120.40 124.84 2yu6 s VAL 53 Ca 0.05 1.32 -0.09 0.00 0.00 0.00 0.00 61.98 63.26 2yu6 s VAL 53 Cb -0.21 -4.46 -0.04 0.00 0.00 0.00 0.00 36.38 31.66 2yu6 s VAL 53 CO -0.04 -0.70 0.22 -0.36 0.00 0.00 0.00 175.10 174.22 2yu6 s PHE 54 N 3.87 3.64 -0.22 5.22 0.40 0.85 -0.63 117.98 131.12 2yu6 s PHE 54 Ca 0.43 0.67 -0.06 0.00 -0.60 0.00 0.00 56.93 57.37 2yu6 s PHE 54 Cb -0.10 -2.04 0.10 0.00 0.51 0.00 0.00 43.02 41.49 2yu6 s PHE 54 CO 0.23 0.71 0.44 0.45 0.70 0.00 0.00 175.22 177.74 2yu6 s SER 55 N -1.04 -0.29 0.16 1.36 0.15 -0.78 -2.03 113.70 111.23 2yu6 s SER 55 Ca 0.18 0.93 -0.32 0.00 0.70 0.00 0.00 55.95 57.44 2yu6 s SER 55 Cb -0.13 1.42 -0.10 0.00 -1.71 0.00 0.00 66.02 65.50 2yu6 s SER 55 CO 0.07 -0.24 1.57 -0.69 1.20 0.00 0.00 173.24 175.15 2yu6 s VAL 56 N 2.64 2.63 -0.33 4.45 1.01 -1.26 -3.26 120.40 126.28 2yu6 s VAL 56 Ca 0.01 0.45 -0.28 0.00 0.00 0.00 0.00 61.98 62.15 2yu6 s VAL 56 Cb -0.13 -3.29 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 2yu6 s VAL 56 CO -0.14 0.03 1.81 -1.58 0.00 0.00 0.00 175.10 175.23 2yu6 s GLN 57 N 1.19 3.33 0.00 2.72 -0.44 -0.16 -2.88 119.66 123.42 2yu6 s GLN 57 Ca 0.70 1.45 0.00 0.00 -2.50 0.00 0.00 55.36 55.01 2yu6 s GLN 57 Cb -0.44 -4.20 0.00 0.00 -1.64 0.00 0.00 33.01 26.73 2yu6 s GLN 57 CO 0.31 -1.86 0.00 0.41 0.50 0.00 0.00 175.29 174.65 2yu6 n GLY 58 N 5.43 3.35 0.25 2.59 0.00 -1.26 -4.91 105.19 110.63 2yu6 n GLY 58 Ca 0.23 -0.99 0.13 0.00 0.00 0.00 0.00 46.02 45.39 2yu6 n GLY 58 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2yu6 n SER 59 N 0.26 -0.03 0.00 1.61 3.41 -1.14 -4.79 113.62 112.94 2yu6 n SER 59 Ca 0.00 1.23 0.00 0.00 -0.26 0.00 0.00 58.87 59.84 2yu6 n SER 59 Cb 0.00 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.48 2yu6 n SER 59 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yu6 n GLY 60 N -1.34 3.22 3.99 5.00 0.00 -1.26 -5.05 105.19 109.74 2yu6 n GLY 60 Ca 0.19 -0.93 -0.19 0.00 0.00 0.00 0.00 46.02 45.09 2yu6 n GLY 60 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2yu6 s HIS 61 N -0.08 2.36 -0.50 1.61 3.76 -1.26 -4.03 115.29 117.15 2yu6 s HIS 61 Ca 0.00 -0.53 -0.26 0.00 -0.15 0.00 0.00 55.06 54.12 2yu6 s HIS 61 Cb 0.00 -2.27 0.03 0.00 1.11 0.00 0.00 32.58 31.45 2yu6 s HIS 61 CO 0.00 -0.56 1.00 -0.06 -0.85 0.00 0.00 174.74 174.27 2yu6 s PHE 62 N -2.48 2.83 0.62 1.40 0.08 0.14 -4.55 117.98 116.02 2yu6 s PHE 62 Ca 0.54 0.35 0.17 0.00 0.12 0.00 0.00 56.93 58.11 2yu6 s PHE 62 Cb -0.07 -4.15 0.95 0.00 -0.57 0.00 0.00 43.02 39.18 2yu6 s PHE 62 CO 0.33 -1.25 1.52 1.96 -0.10 0.00 0.00 175.22 177.68 2yu6 h GLN 63 N 9.22 0.00 0.00 0.44 1.08 -1.79 -3.25 115.11 120.81 2yu6 h GLN 63 Ca -0.24 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.96 2yu6 h GLN 63 Cb 1.07 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.50 2yu6 h GLN 63 CO 1.08 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 179.37 2yu6 n GLY 64 N -1.33 0.85 3.15 3.46 0.00 -0.86 -4.55 105.19 105.91 2yu6 n GLY 64 Ca -0.01 -2.20 -0.16 0.00 0.00 0.00 0.00 46.02 43.65 2yu6 n GLY 64 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2yu6 s PHE 65 N -0.94 1.05 -0.04 1.61 -0.71 -1.26 -0.11 117.98 117.59 2yu6 s PHE 65 Ca 0.00 -0.53 -0.02 0.00 -1.04 0.00 0.00 56.93 55.35 2yu6 s PHE 65 Cb 0.00 -0.59 0.03 0.00 -1.21 0.00 0.00 43.02 41.25 2yu6 s PHE 65 CO 0.00 0.01 0.08 -1.12 -1.34 0.00 0.00 175.22 172.85 2yu6 s SER 66 N -1.94 -0.03 -0.18 1.98 0.01 -0.16 -3.13 113.70 110.26 2yu6 s SER 66 Ca -0.01 0.16 -0.22 0.00 1.31 0.00 0.00 55.95 57.19 2yu6 s SER 66 Cb -0.08 0.07 -0.02 0.00 0.21 0.00 0.00 66.02 66.20 2yu6 s SER 66 CO 0.01 -0.12 0.67 0.00 0.41 0.00 0.00 173.24 174.22 2yu6 s ARG 67 N 0.90 4.25 0.14 12.44 1.70 0.14 -1.17 118.95 137.35 2yu6 s ARG 67 Ca -0.07 0.71 -0.34 0.00 -0.47 0.00 0.00 55.73 55.56 2yu6 s ARG 67 Cb -0.10 -3.56 -0.16 0.00 -0.57 0.00 0.00 34.95 30.56 2yu6 s ARG 67 CO -0.04 -0.22 1.20 -0.12 -1.08 0.00 0.00 175.30 175.05 2yu6 n MET 68 N 4.94 1.09 -0.03 3.89 0.00 0.11 -0.84 117.12 126.28 2yu6 n MET 68 Ca -0.00 0.39 -0.03 0.00 -0.00 0.00 0.00 57.70 58.06 2yu6 n MET 68 Cb 0.50 -1.93 -0.06 0.00 0.00 0.00 0.00 33.22 31.73 2yu6 n MET 68 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2yu6 n SER 69 N 2.16 3.12 -4.21 6.12 2.88 -1.15 -4.46 113.62 118.08 2yu6 n SER 69 Ca 0.16 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.58 2yu6 n SER 69 Cb 0.22 0.75 -0.10 0.00 -0.75 0.00 0.00 64.21 64.33 2yu6 n SER 69 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2yu6 s SER 70 N -3.84 1.50 0.86 -3.46 0.15 -1.24 -4.99 113.70 102.69 2yu6 s SER 70 Ca -0.04 -0.99 -0.12 0.00 0.70 0.00 0.00 55.95 55.50 2yu6 s SER 70 Cb 0.03 0.03 0.11 0.00 -1.71 0.00 0.00 66.02 64.48 2yu6 s SER 70 CO 0.31 -0.38 1.16 -1.83 1.20 0.00 0.00 173.24 173.71 2yu6 s GLU 71 N -3.68 1.56 -0.04 5.44 1.03 -1.26 -4.18 118.70 117.56 2yu6 s GLU 71 Ca 0.14 0.18 -0.15 0.00 0.03 0.00 0.00 54.97 55.17 2yu6 s GLU 71 Cb 0.03 -1.90 -0.05 0.00 -0.80 0.00 0.00 34.13 31.41 2yu6 s GLU 71 CO -0.02 -1.89 0.40 0.42 -1.33 0.00 0.00 175.26 172.84 2yu6 s ILE 72 N -3.44 5.10 0.00 1.83 1.01 -1.26 -4.45 121.20 119.99 2yu6 s ILE 72 Ca 0.63 0.81 0.00 0.00 0.00 0.00 0.00 60.65 62.09 2yu6 s ILE 72 Cb -0.13 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.63 2yu6 s ILE 72 CO 0.51 0.51 0.00 0.61 0.00 0.00 0.00 174.94 176.57 2yu6 n GLY 73 N 2.27 2.40 0.37 6.18 0.00 -1.20 -4.88 105.19 110.33 2yu6 n GLY 73 Ca -0.13 -0.68 0.03 0.00 0.00 0.00 0.00 46.02 45.24 2yu6 n GLY 73 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2yu6 h ARG 74 N 0.00 -0.00 -6.94 1.61 9.65 -1.83 -3.39 114.38 113.47 2yu6 h ARG 74 Ca 0.00 0.00 -0.49 0.00 -1.10 0.00 0.00 59.98 58.39 2yu6 h ARG 74 Cb 0.00 0.00 0.02 0.00 -1.39 0.00 0.00 29.97 28.60 2yu6 h ARG 74 CO 0.00 -0.00 0.42 -2.00 2.80 0.00 0.00 179.97 181.19 2yu6 s GLU 75 N -6.12 4.22 0.18 0.20 2.56 -1.25 -5.05 118.70 113.45 2yu6 s GLU 75 Ca -0.14 1.55 -0.05 0.00 0.00 0.00 0.00 54.97 56.33 2yu6 s GLU 75 Cb 0.24 -2.63 -0.03 0.00 2.00 0.00 0.00 34.13 33.71 2yu6 s GLU 75 CO 0.75 -0.10 0.22 0.15 -0.56 0.00 0.00 175.26 175.72 2yu6 s LYS 76 N -2.35 1.20 0.32 4.30 -0.14 -1.26 -3.38 119.74 118.42 2yu6 s LYS 76 Ca 0.56 -1.40 -0.18 0.00 -1.36 0.00 0.00 55.97 53.60 2yu6 s LYS 76 Cb -0.23 0.33 0.03 0.00 -1.68 0.00 0.00 37.83 36.28 2yu6 s LYS 76 CO 0.29 -0.42 0.72 0.45 -0.76 0.00 0.00 175.35 175.63 2yu6 s SER 77 N -3.06 -0.10 0.02 2.83 0.15 -1.26 -5.01 113.70 107.27 2yu6 s SER 77 Ca 0.27 -0.87 -0.02 0.00 0.70 0.00 0.00 55.95 56.03 2yu6 s SER 77 Cb 0.05 0.76 -0.01 0.00 -1.71 0.00 0.00 66.02 65.11 2yu6 s SER 77 CO 0.06 -1.46 -0.04 0.00 1.20 0.00 0.00 173.24 173.00 2yu6 n GLN 78 N -0.48 0.06 -1.41 5.44 6.02 -1.26 -4.99 117.38 120.76 2yu6 n GLN 78 Ca -0.05 0.02 -0.59 0.00 -0.01 0.00 0.00 57.00 56.37 2yu6 n GLN 78 Cb 0.60 -0.40 -0.10 0.00 1.02 0.00 0.00 30.24 31.36 2yu6 n GLN 78 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2yu6 n ASP 79 N -3.07 1.21 -3.68 1.08 8.00 -1.26 -4.86 116.55 113.97 2yu6 n ASP 79 Ca -0.02 0.75 -0.04 0.00 0.71 0.00 0.00 54.79 56.19 2yu6 n ASP 79 Cb 0.06 -0.98 -0.01 0.00 -0.02 0.00 0.00 41.12 40.16 2yu6 n ASP 79 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 2yu6 s TRP 80 N 5.53 -0.18 -0.15 1.24 0.23 -1.26 -5.03 118.94 119.32 2yu6 s TRP 80 Ca 1.14 -0.07 -0.13 0.00 -2.03 0.00 0.00 56.10 55.01 2yu6 s TRP 80 Cb -1.35 0.61 -0.09 0.00 0.03 0.00 0.00 33.47 32.66 2yu6 s TRP 80 CO 0.66 -0.72 0.09 0.78 0.96 0.00 0.00 176.95 178.72 2yu6 h GLY 81 N 2.00 0.00 -7.24 0.98 0.00 -1.96 -3.45 103.07 93.40 2yu6 h GLY 81 Ca -0.24 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.42 2yu6 h GLY 81 CO 0.27 0.00 -0.67 -0.56 0.00 0.00 0.00 176.54 175.58 2yu6 s SER 82 N -6.03 4.78 0.49 0.19 0.01 -1.26 -4.97 113.70 106.90 2yu6 s SER 82 Ca -0.15 -0.68 0.14 0.00 1.31 0.00 0.00 55.95 56.57 2yu6 s SER 82 Cb 0.02 -1.80 1.15 0.00 0.21 0.00 0.00 66.02 65.59 2yu6 s SER 82 CO 0.32 -0.14 2.09 0.00 0.41 0.00 0.00 173.24 175.93 2yu6 h ALA 83 N 8.15 1.88 -1.88 1.44 0.00 -1.97 -2.69 119.26 124.20 2yu6 h ALA 83 Ca -0.34 -0.05 0.55 0.00 0.00 0.00 0.00 54.91 55.07 2yu6 h ALA 83 Cb 1.13 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.82 2yu6 h ALA 83 CO 0.59 0.09 1.35 0.78 0.00 0.00 0.00 179.25 182.07 2yu6 h GLY 84 N 0.21 0.01 -2.47 0.00 0.00 -2.02 -3.41 103.07 95.39 2yu6 h GLY 84 Ca 0.02 -0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.82 2yu6 h GLY 84 CO 0.00 -0.00 -1.97 1.04 0.00 0.00 0.00 176.54 175.62 2yu6 n LEU 85 N -3.97 -4.23 -2.79 3.11 4.77 -1.02 -5.00 117.00 107.88 2yu6 n LEU 85 Ca 0.42 0.12 -0.04 0.00 -0.03 0.00 0.00 56.01 56.48 2yu6 n LEU 85 Cb 1.92 -0.74 0.01 0.00 -2.33 0.00 0.00 43.42 42.29 2yu6 n LEU 85 CO 0.44 -4.47 0.15 -0.83 -1.33 0.00 0.00 177.39 171.35 2yu6 s GLY 86 N -1.16 -1.31 0.00 -0.72 0.00 -1.26 -5.10 107.32 97.77 2yu6 s GLY 86 Ca 0.42 -0.28 0.00 0.00 0.00 0.00 0.00 44.72 44.85 2yu6 s GLY 86 CO 0.75 3.72 0.00 0.61 0.00 0.00 0.00 173.10 178.17 2yu6 n GLY 87 N 3.03 3.03 3.44 0.20 0.00 -1.26 -4.72 105.19 108.91 2yu6 n GLY 87 Ca 0.17 -0.68 -0.32 0.00 0.00 0.00 0.00 46.02 45.19 2yu6 n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2yu6 s VAL 88 N 0.00 2.81 0.04 1.61 1.01 -1.22 -4.27 120.40 120.38 2yu6 s VAL 88 Ca 0.00 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.07 2yu6 s VAL 88 Cb 0.00 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 2yu6 s VAL 88 CO 0.00 0.52 -0.05 0.72 0.00 0.00 0.00 175.10 176.29 2yu6 s PHE 89 N -0.76 0.51 0.60 5.22 -0.71 -1.02 -3.21 117.98 118.60 2yu6 s PHE 89 Ca 0.12 -0.63 -0.13 0.00 -1.04 0.00 0.00 56.93 55.25 2yu6 s PHE 89 Cb -0.10 -0.33 -0.04 0.00 -1.21 0.00 0.00 43.02 41.34 2yu6 s PHE 89 CO 0.02 -0.17 1.03 0.15 -1.34 0.00 0.00 175.22 174.90 2yu6 s LYS 90 N -2.06 3.52 -0.08 1.99 1.02 -1.26 -0.16 119.74 122.71 2yu6 s LYS 90 Ca -0.08 0.93 -0.05 0.00 0.02 0.00 0.00 55.97 56.79 2yu6 s LYS 90 Cb -0.06 -2.07 0.04 0.00 -0.52 0.00 0.00 37.83 35.22 2yu6 s LYS 90 CO -0.02 -0.63 0.20 0.14 -0.92 0.00 0.00 175.35 174.12 2yu6 s VAL 91 N -2.86 -0.03 -0.29 3.17 -7.23 -1.06 -2.91 120.40 109.18 2yu6 s VAL 91 Ca 0.58 0.12 -0.22 0.00 -1.81 0.00 0.00 61.98 60.65 2yu6 s VAL 91 Cb -0.12 -0.31 -0.01 0.00 0.56 0.00 0.00 36.38 36.50 2yu6 s VAL 91 CO 0.45 0.05 0.73 -0.70 -0.31 0.00 0.00 175.10 175.31 2yu6 s GLU 92 N 0.94 3.99 -0.28 4.82 -6.30 -0.02 -4.74 118.70 117.11 2yu6 s GLU 92 Ca -0.07 0.55 -0.23 0.00 -2.50 0.00 0.00 54.97 52.72 2yu6 s GLU 92 Cb -0.08 -3.71 -0.01 0.00 0.00 0.00 0.00 34.13 30.33 2yu6 s GLU 92 CO -0.05 -0.59 0.75 -1.58 0.02 0.00 0.00 175.26 173.80 2yu6 s TRP 93 N 2.79 3.24 -0.14 5.30 0.52 -1.26 -0.69 118.94 128.70 2yu6 s TRP 93 Ca 0.30 0.85 -0.10 0.00 0.02 0.00 0.00 56.10 57.17 2yu6 s TRP 93 Cb -0.15 -3.08 -0.05 0.00 -1.15 0.00 0.00 33.47 29.04 2yu6 s TRP 93 CO 0.11 -0.47 -0.06 0.82 0.02 0.00 0.00 176.95 177.36 2yu6 h ILE 94 N 5.52 0.18 -3.35 2.03 5.03 -1.95 -3.47 117.51 121.50 2yu6 h ILE 94 Ca -0.25 -1.20 -0.55 0.00 -0.12 0.00 0.00 64.86 62.74 2yu6 h ILE 94 Cb 1.10 0.41 -0.34 0.00 -3.03 0.00 0.00 36.82 34.96 2yu6 h ILE 94 CO 0.85 0.06 -0.83 -0.13 -0.68 0.00 0.00 178.15 177.42 2yu6 s ARG 95 N -2.13 1.96 -0.17 2.37 1.81 -1.26 -5.00 118.95 116.53 2yu6 s ARG 95 Ca -0.14 -0.49 0.16 0.00 -1.72 0.00 0.00 55.73 53.54 2yu6 s ARG 95 Cb 0.02 -1.64 0.71 0.00 -0.45 0.00 0.00 34.95 33.60 2yu6 s ARG 95 CO 0.24 -0.00 1.63 1.63 -0.68 0.00 0.00 175.30 178.12 2yu6 n LYS 96 N 3.97 4.05 -2.17 3.54 5.02 -1.26 -3.98 118.16 127.33 2yu6 n LYS 96 Ca -0.21 -2.96 -0.27 0.00 -2.02 0.00 0.00 58.31 52.85 2yu6 n LYS 96 Cb 0.52 -2.01 0.05 0.00 -0.02 0.00 0.00 35.03 33.57 2yu6 n LYS 96 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2yu6 s GLU 97 N -2.35 2.53 -0.20 1.97 2.56 -1.26 -4.93 118.70 117.03 2yu6 s GLU 97 Ca 0.50 0.01 -0.06 0.00 0.00 0.00 0.00 54.97 55.42 2yu6 s GLU 97 Cb 0.36 -2.15 -0.03 0.00 2.00 0.00 0.00 34.13 34.31 2yu6 s GLU 97 CO 0.18 -1.07 0.03 -1.12 -0.56 0.00 0.00 175.26 172.72 2yu6 s SER 98 N -4.42 5.10 -0.19 -1.70 0.01 -1.26 -4.18 113.70 107.05 2yu6 s SER 98 Ca 0.58 -0.12 -0.03 0.00 1.31 0.00 0.00 55.95 57.69 2yu6 s SER 98 Cb -0.11 -1.88 -0.01 0.00 0.21 0.00 0.00 66.02 64.23 2yu6 s SER 98 CO 0.47 0.09 -0.06 -0.22 0.41 0.00 0.00 173.24 173.93 2yu6 s LEU 99 N 0.85 2.94 0.28 2.44 2.96 -1.23 -4.87 118.68 122.05 2yu6 s LEU 99 Ca 0.02 -0.32 -0.29 0.00 -0.22 0.00 0.00 54.13 53.31 2yu6 s LEU 99 Cb -0.14 -1.73 -0.10 0.00 0.50 0.00 0.00 46.19 44.73 2yu6 s LEU 99 CO 0.02 0.05 1.25 -2.16 -1.32 0.00 0.00 176.35 174.19 2yu6 s PRO 100 N 1.05 4.45 0.30 0.98 0.04 -1.26 -0.69 135.00 139.86 2yu6 s PRO 100 Ca 0.01 2.05 0.15 0.00 0.04 0.00 0.00 61.00 63.24 2yu6 s PRO 100 Cb -0.15 -3.14 0.79 0.00 0.04 0.00 0.00 34.50 32.05 2yu6 s PRO 100 CO -0.00 -0.09 1.37 1.19 0.04 0.00 0.00 177.00 179.51 2yu6 n PHE 101 N 1.45 0.49 -0.01 0.56 3.72 -1.26 -0.64 117.46 121.77 2yu6 n PHE 101 Ca 0.01 0.26 -0.04 0.00 -0.05 0.00 0.00 57.45 57.63 2yu6 n PHE 101 Cb 0.43 -0.78 0.18 0.00 -0.94 0.00 0.00 39.48 38.37 2yu6 n PHE 101 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 2yu6 h GLN 102 N 0.00 0.56 -0.09 -1.08 1.08 -1.93 0.18 115.11 113.83 2yu6 h GLN 102 Ca 0.00 -0.20 -0.13 0.00 -1.45 0.00 0.00 58.65 56.87 2yu6 h GLN 102 Cb 0.39 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.77 2yu6 h GLN 102 CO 0.00 0.74 -0.51 0.74 -0.95 0.00 0.00 178.83 178.84 2yu6 h PHE 103 N 0.50 0.31 -0.66 2.96 -1.00 -1.25 -2.90 116.94 114.91 2yu6 h PHE 103 Ca 0.08 -0.10 0.00 0.00 2.81 0.00 0.00 57.97 60.75 2yu6 h PHE 103 Cb 0.64 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 40.14 2yu6 h PHE 103 CO 0.02 0.72 0.00 0.00 -1.61 0.00 0.00 178.31 177.44 2yu6 n ALA 104 N -2.47 2.58 0.28 2.45 0.00 -1.06 -4.39 120.51 117.90 2yu6 n ALA 104 Ca -0.02 -1.40 0.15 0.00 0.00 0.00 0.00 53.44 52.17 2yu6 n ALA 104 Cb 0.55 -0.89 0.71 0.00 0.00 0.00 0.00 19.45 19.82 2yu6 n ALA 104 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2yu6 h HIS 105 N 3.92 0.00 0.00 0.00 6.17 -0.43 -1.06 115.15 123.76 2yu6 h HIS 105 Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 60.37 61.07 2yu6 h HIS 105 Cb 1.11 0.00 -0.00 0.00 2.52 0.00 0.00 27.41 31.04 2yu6 h HIS 105 CO 0.55 0.00 -1.38 -2.39 0.71 0.00 0.00 177.93 175.41 2yu6 n HIS 106 N -2.54 0.63 -3.13 5.26 1.44 -1.26 -4.91 115.22 110.70 2yu6 n HIS 106 Ca -0.01 0.18 -0.36 0.00 -2.01 0.00 0.00 57.72 55.53 2yu6 n HIS 106 Cb 0.13 -0.81 -0.06 0.00 0.12 0.00 0.00 29.99 29.37 2yu6 n HIS 106 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2yu6 s LEU 107 N -5.09 4.33 0.31 2.39 1.43 -0.40 -5.08 118.68 116.57 2yu6 s LEU 107 Ca -0.03 1.37 0.02 0.00 -1.03 0.00 0.00 54.13 54.45 2yu6 s LEU 107 Cb 0.11 -3.56 -0.02 0.00 0.03 0.00 0.00 46.19 42.75 2yu6 s LEU 107 CO 0.83 0.04 0.32 -0.76 0.23 0.00 0.00 176.35 177.01 2yu6 s LEU 108 N -2.00 1.34 -0.36 1.79 1.43 -1.26 -3.55 118.68 116.07 2yu6 s LEU 108 Ca 0.43 -1.57 0.03 0.00 -1.03 0.00 0.00 54.13 51.99 2yu6 s LEU 108 Cb -0.16 0.87 0.11 0.00 0.03 0.00 0.00 46.19 47.04 2yu6 s LEU 108 CO 0.21 -1.10 0.09 0.21 0.23 0.00 0.00 176.35 175.99 2yu6 s ASN 109 N -3.28 4.53 0.00 2.29 2.47 0.70 -4.70 114.94 116.95 2yu6 s ASN 109 Ca 0.36 -2.20 0.10 0.00 0.42 0.00 0.00 52.86 51.55 2yu6 s ASN 109 Cb 0.02 -1.47 0.61 0.00 -1.45 0.00 0.00 41.25 38.97 2yu6 s ASN 109 CO 0.22 -0.36 1.05 -0.81 -3.72 0.00 0.00 177.10 173.47 2yu6 n PRO 110 N 4.18 0.49 0.11 0.43 -0.04 -1.26 -2.35 135.00 136.55 2yu6 n PRO 110 Ca 0.03 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.55 2yu6 n PRO 110 Cb 0.40 -1.33 0.01 0.00 -0.04 0.00 0.00 33.50 32.55 2yu6 n PRO 110 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 2yu6 h TRP 111 N 0.00 0.00 -2.65 0.54 4.06 -1.94 -3.39 115.95 112.56 2yu6 h TRP 111 Ca 0.00 0.00 -0.60 0.00 2.06 0.00 0.00 58.89 60.35 2yu6 h TRP 111 Cb 0.00 0.00 -0.39 0.00 -1.00 0.00 0.00 29.16 27.77 2yu6 h TRP 111 CO 0.00 0.28 -0.84 0.54 -3.56 0.00 0.00 178.44 174.86 2yu6 s ASN 112 N -5.87 2.74 -1.55 -3.49 4.22 -0.99 -4.88 114.94 105.12 2yu6 s ASN 112 Ca 0.01 -2.89 -0.13 0.00 -2.14 0.00 0.00 52.86 47.71 2yu6 s ASN 112 Cb 0.08 -0.73 0.09 0.00 1.28 0.00 0.00 41.25 41.97 2yu6 s ASN 112 CO 0.77 -0.21 0.85 0.47 -2.04 0.00 0.00 177.10 176.94 2yu6 n ASP 113 N 3.14 -3.62 -3.68 3.54 8.00 -1.26 -1.63 116.55 121.03 2yu6 n ASP 113 Ca 0.20 -0.87 -0.25 0.00 0.71 0.00 0.00 54.79 54.58 2yu6 n ASP 113 Cb 0.41 -3.51 -0.06 0.00 -0.02 0.00 0.00 41.12 37.94 2yu6 n ASP 113 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2yu6 n ASN 114 N -2.82 -0.18 -4.87 -2.24 6.94 -1.00 -4.86 115.26 106.23 2yu6 n ASN 114 Ca -0.01 -0.87 -0.31 0.00 -0.02 0.00 0.00 54.58 53.37 2yu6 n ASN 114 Cb 0.55 -1.09 -0.02 0.00 -2.36 0.00 0.00 39.78 36.85 2yu6 n ASN 114 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2yu6 s LYS 115 N -5.69 3.75 0.47 -3.83 -0.14 -0.65 -4.56 119.74 109.09 2yu6 s LYS 115 Ca 0.25 0.64 -0.22 0.00 -1.36 0.00 0.00 55.97 55.28 2yu6 s LYS 115 Cb -0.15 -2.24 -0.10 0.00 -1.68 0.00 0.00 37.83 33.67 2yu6 s LYS 115 CO 0.70 -0.26 0.90 1.17 -0.76 0.00 0.00 175.35 177.09 2yu6 n LYS 116 N -1.88 1.09 -0.21 1.68 3.00 -1.26 -0.22 118.16 120.36 2yu6 n LYS 116 Ca 0.04 0.40 -0.03 0.00 -0.00 0.00 0.00 58.31 58.72 2yu6 n LYS 116 Cb 0.54 -1.96 0.08 0.00 0.00 0.00 0.00 35.03 33.69 2yu6 n LYS 116 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2yu6 h VAL 117 N 1.13 0.95 -0.43 3.15 2.07 -1.84 -1.21 116.25 120.08 2yu6 h VAL 117 Ca -0.45 -0.21 0.04 0.00 0.82 0.00 0.00 66.70 66.91 2yu6 h VAL 117 Cb 1.36 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 2yu6 h VAL 117 CO 0.54 0.11 0.29 0.06 0.02 0.00 0.00 177.57 178.59 2yu6 h GLN 118 N 0.60 0.40 -4.01 1.57 -0.00 -1.89 -3.26 115.11 108.52 2yu6 h GLN 118 Ca 0.27 -0.02 -0.63 0.00 -0.00 0.00 0.00 58.65 58.27 2yu6 h GLN 118 Cb 0.18 -0.09 0.01 0.00 -0.00 0.00 0.00 27.48 27.58 2yu6 h GLN 118 CO -0.18 0.27 2.77 -0.89 -0.00 0.00 0.00 178.83 180.80 2yu6 n ILE 119 N -4.48 2.69 -4.27 1.86 5.41 -0.46 -4.85 119.36 115.27 2yu6 n ILE 119 Ca 0.05 -2.11 -0.18 0.00 1.00 0.00 0.00 62.75 61.51 2yu6 n ILE 119 Cb 0.19 -2.41 -0.13 0.00 -0.71 0.00 0.00 39.64 36.58 2yu6 n ILE 119 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 2yu6 s SER 120 N 3.89 1.19 0.45 4.38 1.04 -1.23 -4.78 113.70 118.63 2yu6 s SER 120 Ca 0.52 -0.35 0.02 0.00 0.48 0.00 0.00 55.95 56.62 2yu6 s SER 120 Cb 0.14 -0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.19 2yu6 s SER 120 CO 0.01 0.01 0.66 -0.13 0.98 0.00 0.00 173.24 174.76 2yu6 s ARG 121 N -0.86 2.98 0.07 4.02 0.52 -1.26 -4.91 118.95 119.50 2yu6 s ARG 121 Ca -0.00 -0.63 -0.31 0.00 -0.52 0.00 0.00 55.73 54.27 2yu6 s ARG 121 Cb -0.06 -2.59 -0.09 0.00 0.52 0.00 0.00 34.95 32.73 2yu6 s ARG 121 CO 0.00 -0.30 1.72 0.16 0.02 0.00 0.00 175.30 176.91 2yu6 s ASP 122 N -4.25 6.55 0.00 0.23 -4.77 -1.26 -2.65 116.67 110.52 2yu6 s ASP 122 Ca 0.50 2.54 0.00 0.00 -3.30 0.00 0.00 52.55 52.29 2yu6 s ASP 122 Cb -0.10 -2.56 0.00 0.00 -1.09 0.00 0.00 42.92 39.17 2yu6 s ASP 122 CO 0.37 -0.93 0.00 0.61 0.70 0.00 0.00 175.17 175.92 2yu6 n GLY 123 N 4.11 0.90 3.70 2.12 0.00 -0.81 -4.95 105.19 110.27 2yu6 n GLY 123 Ca 0.17 -0.64 -0.25 0.00 0.00 0.00 0.00 46.02 45.29 2yu6 n GLY 123 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2yu6 s GLN 124 N -4.41 2.52 0.29 1.61 -1.52 -1.08 -4.96 119.66 112.10 2yu6 s GLN 124 Ca 0.00 -1.13 -0.16 0.00 -1.95 0.00 0.00 55.36 52.12 2yu6 s GLN 124 Cb 0.00 -2.38 -0.09 0.00 -0.22 0.00 0.00 33.01 30.32 2yu6 s GLN 124 CO 0.00 0.43 0.73 -1.21 -0.25 0.00 0.00 175.29 174.99 2yu6 s GLU 125 N -3.22 4.08 -0.08 2.91 2.02 -1.26 -2.66 118.70 120.49 2yu6 s GLU 125 Ca 0.29 0.72 0.01 0.00 0.02 0.00 0.00 54.97 56.01 2yu6 s GLU 125 Cb -0.09 -2.58 0.02 0.00 0.10 0.00 0.00 34.13 31.59 2yu6 s GLU 125 CO 0.20 0.24 -0.07 -1.17 0.02 0.00 0.00 175.26 174.48 2yu6 s LEU 126 N -2.66 1.27 0.29 1.80 2.96 -0.54 -4.90 118.68 116.91 2yu6 s LEU 126 Ca 0.50 -0.23 -0.29 0.00 -0.22 0.00 0.00 54.13 53.89 2yu6 s LEU 126 Cb -0.12 -0.70 -0.14 0.00 0.50 0.00 0.00 46.19 45.73 2yu6 s LEU 126 CO 0.19 -0.07 1.11 1.21 -1.32 0.00 0.00 176.35 177.47 2yu6 n GLU 127 N 4.44 1.57 -0.00 1.98 2.13 -1.26 -4.20 120.64 125.30 2yu6 n GLU 127 Ca -0.18 0.55 -0.07 0.00 0.66 0.00 0.00 57.16 58.12 2yu6 n GLU 127 Cb 0.51 -2.00 0.10 0.00 0.27 0.00 0.00 31.44 30.32 2yu6 n GLU 127 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 2yu6 h PRO 128 N 2.35 0.55 -0.82 5.31 0.13 -1.95 0.66 132.00 138.24 2yu6 h PRO 128 Ca -0.42 -0.29 -0.01 0.00 -0.87 0.00 0.00 66.00 64.41 2yu6 h PRO 128 Cb 1.32 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.42 2yu6 h PRO 128 CO 0.63 0.88 0.45 1.96 -0.23 0.00 0.00 178.00 181.69 2yu6 h GLN 129 N 0.45 1.13 0.00 0.86 4.20 -1.99 -0.34 115.11 119.41 2yu6 h GLN 129 Ca 0.03 -0.12 -0.27 0.00 0.06 0.00 0.00 58.65 58.35 2yu6 h GLN 129 Cb 0.94 -0.23 -0.05 0.00 0.30 0.00 0.00 27.48 28.45 2yu6 h GLN 129 CO 0.08 0.82 -1.86 1.33 -0.67 0.00 0.00 178.83 178.53 2yu6 n VAL 130 N -4.35 1.34 -0.13 -0.54 0.24 -1.18 -3.89 118.33 109.83 2yu6 n VAL 130 Ca 0.09 -0.77 -0.11 0.00 -2.04 0.00 0.00 64.34 61.50 2yu6 n VAL 130 Cb 0.09 -0.73 0.01 0.00 -1.47 0.00 0.00 33.84 31.75 2yu6 n VAL 130 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2yu6 h GLY 131 N 3.74 1.01 0.68 7.63 0.00 0.49 -1.60 103.07 115.03 2yu6 h GLY 131 Ca -0.32 -0.93 -0.01 0.00 0.00 0.00 0.00 47.33 46.07 2yu6 h GLY 131 CO 0.05 0.84 -0.01 1.05 0.00 0.00 0.00 176.54 178.48 2yu6 h GLU 132 N 0.79 0.08 0.00 4.80 4.11 -1.24 -2.70 114.58 120.42 2yu6 h GLU 132 Ca 0.09 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.49 2yu6 h GLU 132 Cb 0.84 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.09 2yu6 h GLU 132 CO 0.07 0.41 0.00 0.00 0.07 0.00 0.00 179.01 179.56 2yu6 n GLN 133 N -4.86 0.04 0.08 1.06 10.64 -1.22 -2.35 117.38 120.76 2yu6 n GLN 133 Ca -0.07 0.28 -0.07 0.00 -1.83 0.00 0.00 57.00 55.30 2yu6 n GLN 133 Cb 0.20 -1.58 -0.08 0.00 -0.86 0.00 0.00 30.24 27.93 2yu6 n GLN 133 CO 0.00 0.00 0.00 1.25 -1.83 0.00 0.00 177.06 176.48 2yu6 h LEU 134 N 0.00 0.07 0.01 2.61 5.85 -0.95 -3.33 115.31 119.57 2yu6 h LEU 134 Ca 0.00 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 2yu6 h LEU 134 Cb 0.28 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.29 2yu6 h LEU 134 CO 0.00 1.00 -0.12 -0.07 -0.34 0.00 0.00 178.44 178.91 2yu6 h LEU 135 N 0.02 0.09 -1.51 2.25 3.38 -1.37 -3.25 115.31 114.91 2yu6 h LEU 135 Ca -0.03 -0.87 0.29 0.00 0.09 0.00 0.00 57.88 57.37 2yu6 h LEU 135 Cb 1.70 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 42.38 2yu6 h LEU 135 CO 0.13 0.94 1.00 0.06 0.09 0.00 0.00 178.44 180.67 2yu6 h GLN 136 N -0.76 0.00 -0.82 1.13 3.07 -1.67 0.42 115.11 116.49 2yu6 h GLN 136 Ca -0.02 0.00 0.10 0.00 0.09 0.00 0.00 58.65 58.82 2yu6 h GLN 136 Cb 0.97 0.00 -0.07 0.00 0.08 0.00 0.00 27.48 28.46 2yu6 h GLN 136 CO 0.02 0.00 0.46 -0.07 0.09 0.00 0.00 178.83 179.34 2yu6 h LEU 137 N 0.00 0.66 -1.60 0.06 3.38 -1.66 -0.48 115.31 115.67 2yu6 h LEU 137 Ca 0.47 0.05 0.25 0.00 0.09 0.00 0.00 57.88 58.74 2yu6 h LEU 137 Cb 2.47 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 43.08 2yu6 h LEU 137 CO -0.00 0.37 0.65 -0.50 0.09 0.00 0.00 178.44 179.05 2yu6 h TRP 138 N 0.78 0.43 -0.06 1.13 6.55 -0.35 0.51 115.95 124.94 2yu6 h TRP 138 Ca 0.40 0.01 -0.09 0.00 0.95 0.00 0.00 58.89 60.16 2yu6 h TRP 138 Cb 0.37 -0.13 -0.01 0.00 -0.86 0.00 0.00 29.16 28.53 2yu6 h TRP 138 CO -0.06 0.08 -0.37 0.93 -1.05 0.00 0.00 178.44 177.96 2yu6 h GLU 139 N 0.29 0.11 0.00 0.49 4.39 -1.23 -2.24 114.58 116.40 2yu6 h GLU 139 Ca 0.51 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.17 2yu6 h GLU 139 Cb 1.48 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.12 2yu6 h GLU 139 CO -0.17 0.47 0.00 0.54 -1.16 0.00 0.00 179.01 178.70 2yu6 n ARG 140 N -4.07 0.11 0.00 2.33 1.74 0.18 -5.18 116.66 111.76 2yu6 n ARG 140 Ca -0.02 0.45 0.16 0.00 -0.77 0.00 0.00 57.85 57.67 2yu6 n ARG 140 Cb 0.43 -1.75 0.95 0.00 -1.02 0.00 0.00 32.46 31.07 2yu6 n ARG 140 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39