#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yu6 s SER 2 N 0.00 -0.22 0.28 1.61 0.15 -1.26 -5.16 113.70 109.10 2yu6 s SER 2 Ca 0.00 0.73 -0.00 0.00 0.70 0.00 0.00 55.95 57.38 2yu6 s SER 2 Cb 0.00 0.73 -0.02 0.00 -1.71 0.00 0.00 66.02 65.02 2yu6 s SER 2 CO 0.00 -0.20 0.31 -0.55 1.20 0.00 0.00 173.24 174.00 2yu6 s SER 3 N 1.75 0.77 -1.33 5.45 0.15 -1.26 -5.07 113.70 114.17 2yu6 s SER 3 Ca -0.06 -1.47 -0.11 0.00 0.70 0.00 0.00 55.95 55.01 2yu6 s SER 3 Cb -0.10 0.53 0.13 0.00 -1.71 0.00 0.00 66.02 64.87 2yu6 s SER 3 CO -0.11 -1.06 1.94 0.61 1.20 0.00 0.00 173.24 175.82 2yu6 n GLY 4 N -0.46 4.49 3.19 9.45 0.00 -1.26 -4.91 105.19 115.69 2yu6 n GLY 4 Ca 0.03 -1.93 -0.10 0.00 0.00 0.00 0.00 46.02 44.02 2yu6 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yu6 s SER 5 N 1.77 0.24 0.00 1.61 1.04 -1.26 -5.08 113.70 112.03 2yu6 s SER 5 Ca 0.42 -1.18 0.00 0.00 0.48 0.00 0.00 55.95 55.67 2yu6 s SER 5 Cb 0.10 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.55 2yu6 s SER 5 CO -0.02 -0.77 0.00 -1.20 0.98 0.00 0.00 173.24 172.23 2yu6 n SER 6 N -0.14 3.66 0.00 7.02 7.64 -1.26 -5.16 113.62 125.39 2yu6 n SER 6 Ca -0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.83 2yu6 n SER 6 Cb 0.64 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.84 2yu6 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yu6 n GLY 7 N 3.43 0.56 3.78 0.23 0.00 -1.26 -5.06 105.19 106.87 2yu6 n GLY 7 Ca 0.00 -2.14 -0.37 0.00 0.00 0.00 0.00 46.02 43.51 2yu6 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yu6 s VAL 8 N -0.87 4.11 0.50 1.61 0.11 -1.26 -3.57 120.40 121.04 2yu6 s VAL 8 Ca 0.00 1.75 0.08 0.00 -2.93 0.00 0.00 61.98 60.87 2yu6 s VAL 8 Cb 0.00 -3.97 0.08 0.00 -1.53 0.00 0.00 36.38 30.96 2yu6 s VAL 8 CO 0.00 0.13 0.63 0.54 -3.33 0.00 0.00 175.10 173.07 2yu6 n ARG 9 N 0.50 0.68 -3.79 1.54 1.74 -1.11 -4.89 116.66 111.33 2yu6 n ARG 9 Ca 0.02 -2.80 -0.14 0.00 -0.77 0.00 0.00 57.85 54.16 2yu6 n ARG 9 Cb 0.50 -0.10 -0.15 0.00 -1.02 0.00 0.00 32.46 31.69 2yu6 n ARG 9 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2yu6 s TYR 10 N -2.21 -0.01 -0.03 -1.55 1.51 -1.26 -1.47 117.35 112.34 2yu6 s TYR 10 Ca 0.48 0.17 0.01 0.00 -1.01 0.00 0.00 57.07 56.72 2yu6 s TYR 10 Cb -0.04 -0.16 0.01 0.00 -0.11 0.00 0.00 41.96 41.67 2yu6 s TYR 10 CO 0.30 -0.08 -0.05 -0.06 -1.11 0.00 0.00 175.55 174.55 2yu6 s PHE 11 N 0.84 0.68 -0.33 2.71 0.08 0.14 -1.22 117.98 120.89 2yu6 s PHE 11 Ca -0.07 -0.16 -0.22 0.00 0.12 0.00 0.00 56.93 56.60 2yu6 s PHE 11 Cb -0.10 -0.57 -0.00 0.00 -0.57 0.00 0.00 43.02 41.79 2yu6 s PHE 11 CO -0.03 -0.13 0.71 0.42 -0.10 0.00 0.00 175.22 176.09 2yu6 s ILE 12 N 0.60 4.85 -0.32 0.64 -1.09 -1.09 -1.53 121.20 123.26 2yu6 s ILE 12 Ca -0.08 0.91 -0.04 0.00 -2.23 0.00 0.00 60.65 59.21 2yu6 s ILE 12 Cb -0.11 -4.10 0.05 0.00 -1.58 0.00 0.00 42.46 36.72 2yu6 s ILE 12 CO 0.00 -0.26 0.06 -0.04 -1.23 0.00 0.00 174.94 173.47 2yu6 s MET 13 N 2.82 2.47 0.00 2.79 -1.94 -0.89 -2.08 119.30 122.47 2yu6 s MET 13 Ca 0.28 -1.28 -0.19 0.00 -1.71 0.00 0.00 55.69 52.79 2yu6 s MET 13 Cb -0.14 -3.33 -0.06 0.00 2.01 0.00 0.00 34.83 33.32 2yu6 s MET 13 CO 0.13 -0.68 0.55 0.15 -0.01 0.00 0.00 175.02 175.17 2yu6 s LYS 14 N 1.30 4.23 -0.21 2.03 -0.14 -1.26 -2.21 119.74 123.48 2yu6 s LYS 14 Ca -0.03 0.65 -0.02 0.00 -1.36 0.00 0.00 55.97 55.21 2yu6 s LYS 14 Cb -0.20 -3.31 0.00 0.00 -1.68 0.00 0.00 37.83 32.64 2yu6 s LYS 14 CO 0.00 0.46 -0.09 -1.54 -0.76 0.00 0.00 175.35 173.42 2yu6 s SER 15 N -0.46 3.95 0.18 2.83 1.04 -1.14 -4.81 113.70 115.29 2yu6 s SER 15 Ca 0.29 -0.49 -0.21 0.00 0.48 0.00 0.00 55.95 56.02 2yu6 s SER 15 Cb -0.18 -1.66 0.10 0.00 0.10 0.00 0.00 66.02 64.39 2yu6 s SER 15 CO 0.16 -0.02 1.60 0.28 0.98 0.00 0.00 173.24 176.24 2yu6 h SER 16 N 8.06 -1.02 -1.76 7.02 0.02 -1.95 -2.70 113.55 121.22 2yu6 h SER 16 Ca -0.42 0.20 -0.60 0.00 -0.84 0.00 0.00 61.79 60.12 2yu6 h SER 16 Cb 1.15 0.51 -0.11 0.00 0.14 0.00 0.00 62.40 64.08 2yu6 h SER 16 CO 0.61 -0.30 -0.59 0.21 -1.14 0.00 0.00 176.83 175.62 2yu6 s ASN 17 N -5.13 4.06 -0.07 3.07 3.84 -1.26 -4.62 114.94 114.83 2yu6 s ASN 17 Ca -0.15 -1.18 -0.21 0.00 0.21 0.00 0.00 52.86 51.54 2yu6 s ASN 17 Cb 0.15 -0.44 -0.30 0.00 -0.55 0.00 0.00 41.25 40.11 2yu6 s ASN 17 CO 0.69 -0.37 0.80 0.25 -2.79 0.00 0.00 177.10 175.68 2yu6 h LEU 18 N 1.74 0.41 -0.85 3.21 7.12 -1.97 -3.37 115.31 121.60 2yu6 h LEU 18 Ca -0.43 -0.93 0.10 0.00 0.13 0.00 0.00 57.88 56.75 2yu6 h LEU 18 Cb 1.25 -0.13 -0.12 0.00 -0.53 0.00 0.00 40.66 41.12 2yu6 h LEU 18 CO 0.73 1.41 -0.50 -0.09 -0.13 0.00 0.00 178.44 179.86 2yu6 h ARG 19 N -0.42 -0.08 -1.35 1.25 9.65 -1.98 0.91 114.38 122.36 2yu6 h ARG 19 Ca -0.17 0.01 0.41 0.00 -1.10 0.00 0.00 59.98 59.12 2yu6 h ARG 19 Cb 1.61 0.02 -0.10 0.00 -1.39 0.00 0.00 29.97 30.11 2yu6 h ARG 19 CO 0.11 -0.06 0.91 -0.91 2.80 0.00 0.00 179.97 182.83 2yu6 h ASN 20 N -0.09 0.20 -0.12 -3.80 2.35 -2.00 0.95 115.58 113.07 2yu6 h ASN 20 Ca 0.21 0.08 -0.19 0.00 -0.55 0.00 0.00 56.30 55.84 2yu6 h ASN 20 Cb 0.51 0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.94 2yu6 h ASN 20 CO -0.87 -0.06 -0.64 0.25 -1.65 0.00 0.00 177.43 174.46 2yu6 h LEU 21 N 0.12 0.84 -1.76 1.61 5.85 0.68 -3.08 115.31 119.56 2yu6 h LEU 21 Ca 0.75 -0.49 0.20 0.00 0.84 0.00 0.00 57.88 59.17 2yu6 h LEU 21 Cb 2.50 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 43.24 2yu6 h LEU 21 CO -0.25 1.27 0.55 -0.33 -0.34 0.00 0.00 178.44 179.35 2yu6 h GLU 22 N 0.54 0.20 0.00 1.25 4.39 0.15 0.33 114.58 121.45 2yu6 h GLU 22 Ca -0.01 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 2yu6 h GLU 22 Cb 1.24 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.84 2yu6 h GLU 22 CO 0.13 0.13 -0.05 0.82 -1.16 0.00 0.00 179.01 178.89 2yu6 h ILE 23 N 0.20 0.76 0.00 3.13 5.03 -1.43 -0.22 117.51 124.99 2yu6 h ILE 23 Ca 0.40 -0.17 0.00 0.00 -0.12 0.00 0.00 64.86 64.96 2yu6 h ILE 23 Cb 1.25 1.10 0.00 0.00 -3.03 0.00 0.00 36.82 36.14 2yu6 h ILE 23 CO -0.08 0.04 -0.38 -1.28 -0.68 0.00 0.00 178.15 175.77 2yu6 h SER 24 N 0.00 0.00 0.72 1.72 0.87 -0.29 -0.82 113.55 115.75 2yu6 h SER 24 Ca -0.00 -0.01 -0.20 0.00 -1.23 0.00 0.00 61.79 60.35 2yu6 h SER 24 Cb 0.10 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.02 2yu6 h SER 24 CO 0.01 0.01 -1.40 1.56 -0.53 0.00 0.00 176.83 176.47 2yu6 h GLN 25 N 0.00 0.00 0.00 2.24 4.20 -0.96 -3.00 115.11 117.59 2yu6 h GLN 25 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2yu6 h GLN 25 Cb 0.97 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.75 2yu6 h GLN 25 CO 0.00 0.40 -0.85 1.04 -0.67 0.00 0.00 178.83 178.75 2yu6 n GLN 26 N -2.99 0.47 0.18 1.46 1.13 -0.35 -4.56 117.38 112.73 2yu6 n GLN 26 Ca -0.10 0.22 0.03 0.00 -1.94 0.00 0.00 57.00 55.22 2yu6 n GLN 26 Cb 0.90 -1.37 0.35 0.00 0.11 0.00 0.00 30.24 30.23 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 -0.90 0.00 -0.44 -1.09 1.79 -1.37 -3.47 116.57 111.10 2yu6 h LYS 27 Ca 0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 2yu6 h LYS 27 Cb 0.85 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.50 2yu6 h LYS 27 CO 0.00 0.40 -0.02 0.41 -1.08 0.00 0.00 179.45 179.16 2yu6 n GLY 28 N -0.21 0.53 3.20 3.86 0.00 -1.11 -5.00 105.19 106.46 2yu6 n GLY 28 Ca -0.01 -0.79 -0.09 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.35 0.15 0.00 -0.61 -5.25 -1.25 -2.93 121.20 108.96 2yu6 s ILE 29 Ca 0.01 -1.22 0.00 0.00 -0.99 0.00 0.00 60.65 58.45 2yu6 s ILE 29 Cb -0.00 -1.34 -0.00 0.00 2.95 0.00 0.00 42.46 44.07 2yu6 s ILE 29 CO 0.01 -0.67 -0.01 0.86 -1.79 0.00 0.00 174.94 173.34 2yu6 s TRP 30 N -3.82 0.06 -0.24 1.37 -0.11 0.50 -3.19 118.94 113.52 2yu6 s TRP 30 Ca 0.05 -0.11 0.02 0.00 1.22 0.00 0.00 56.10 57.27 2yu6 s TRP 30 Cb 0.05 -0.04 0.05 0.00 -1.50 0.00 0.00 33.47 32.03 2yu6 s TRP 30 CO -0.11 -0.04 -0.09 -1.12 -4.62 0.00 0.00 176.95 170.97 2yu6 s SER 31 N -0.31 3.98 0.44 5.86 0.01 -1.26 -2.54 113.70 119.88 2yu6 s SER 31 Ca -0.03 -1.19 0.07 0.00 1.31 0.00 0.00 55.95 56.11 2yu6 s SER 31 Cb -0.02 -1.36 -0.01 0.00 0.21 0.00 0.00 66.02 64.84 2yu6 s SER 31 CO -0.00 -0.19 0.39 0.28 0.41 0.00 0.00 173.24 174.13 2yu6 s THR 32 N 1.27 2.45 0.40 1.44 -1.32 -1.26 -5.01 115.64 113.61 2yu6 s THR 32 Ca -0.06 -1.37 -0.26 0.00 -1.21 0.00 0.00 61.69 58.78 2yu6 s THR 32 Cb -0.19 -2.83 -0.10 0.00 -1.51 0.00 0.00 72.50 67.88 2yu6 s THR 32 CO -0.06 0.00 1.34 1.07 -2.21 0.00 0.00 174.62 174.76 2yu6 n THR 33 N -1.59 2.39 0.98 5.08 5.66 -1.26 -4.46 114.28 121.08 2yu6 n THR 33 Ca 0.03 -0.50 0.04 0.00 -3.05 0.00 0.00 64.05 60.57 2yu6 n THR 33 Cb 0.62 -1.69 0.26 0.00 -1.55 0.00 0.00 70.33 67.98 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 0.17 0.49 0.00 1.09 -0.04 -1.26 -1.96 135.00 133.48 2yu6 n PRO 34 Ca 0.05 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.61 2yu6 n PRO 34 Cb 0.39 -1.28 -0.07 0.00 -0.04 0.00 0.00 33.50 32.50 2yu6 n PRO 34 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2yu6 n SER 35 N -0.78 0.86 -0.07 3.54 7.64 -1.26 -4.25 113.62 119.30 2yu6 n SER 35 Ca 0.07 -0.80 0.02 0.00 1.01 0.00 0.00 58.87 59.16 2yu6 n SER 35 Cb 0.03 0.95 0.02 0.00 -1.01 0.00 0.00 64.21 64.20 2yu6 n SER 35 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2yu6 n ASN 36 N -1.57 1.23 0.02 6.43 3.02 -0.83 -4.77 115.26 118.80 2yu6 n ASN 36 Ca 0.04 -1.88 -0.21 0.00 -0.03 0.00 0.00 54.58 52.49 2yu6 n ASN 36 Cb 0.35 -0.09 -0.14 0.00 -0.61 0.00 0.00 39.78 39.29 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 0.00 0.27 -0.82 3.52 5.08 -1.70 -3.34 114.58 117.58 2yu6 h GLU 37 Ca 0.00 -0.45 0.13 0.00 -1.00 0.00 0.00 59.36 58.03 2yu6 h GLU 37 Cb 0.83 0.17 -0.13 0.00 0.50 0.00 0.00 28.75 30.12 2yu6 h GLU 37 CO 0.00 1.22 -0.32 -2.13 -1.00 0.00 0.00 179.01 176.78 2yu6 n ARG 38 N -3.97 -0.19 0.40 2.33 0.00 -1.26 -0.51 116.66 113.46 2yu6 n ARG 38 Ca -0.22 1.26 -0.18 0.00 -0.00 0.00 0.00 57.85 58.71 2yu6 n ARG 38 Cb 0.89 -1.87 -0.09 0.00 0.00 0.00 0.00 32.46 31.39 2yu6 n ARG 38 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.63 179.20 2yu6 h LYS 39 N 0.00 -1.06 -0.96 -0.14 2.10 -1.93 0.20 116.57 114.78 2yu6 h LYS 39 Ca 0.28 0.07 0.31 0.00 -2.00 0.00 0.00 60.65 59.31 2yu6 h LYS 39 Cb 0.49 0.24 -0.16 0.00 -0.90 0.00 0.00 32.23 31.90 2yu6 h LYS 39 CO -0.81 -0.71 0.39 -0.07 -2.00 0.00 0.00 179.45 176.26 2yu6 h LEU 40 N -1.10 0.20 0.46 7.07 3.38 -1.03 0.91 115.31 125.20 2yu6 h LEU 40 Ca -0.10 0.22 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2yu6 h LEU 40 Cb 0.87 0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2yu6 h LEU 40 CO 0.11 -0.22 -0.22 -1.13 0.09 0.00 0.00 178.44 177.07 2yu6 h ASN 41 N 0.19 -0.53 0.47 -0.43 -1.24 -0.46 -2.76 115.58 110.82 2yu6 h ASN 41 Ca 0.68 0.02 -0.02 0.00 0.71 0.00 0.00 56.30 57.69 2yu6 h ASN 41 Cb 1.54 0.14 -0.01 0.00 0.73 0.00 0.00 38.32 40.72 2yu6 h ASN 41 CO -0.69 -0.13 -0.35 -0.09 -1.29 0.00 0.00 177.43 174.88 2yu6 h ARG 42 N -1.11 -0.76 -0.98 6.67 9.65 0.46 -2.63 114.38 125.69 2yu6 h ARG 42 Ca -0.06 0.05 0.32 0.00 -1.10 0.00 0.00 59.98 59.19 2yu6 h ARG 42 Cb 0.48 0.17 -0.17 0.00 -1.39 0.00 0.00 29.97 29.05 2yu6 h ARG 42 CO 0.10 -0.50 0.27 0.00 2.80 0.00 0.00 179.97 182.64 2yu6 h ALA 43 N -1.29 1.59 -0.98 2.80 0.00 0.64 0.82 119.26 122.83 2yu6 h ALA 43 Ca -0.06 0.29 0.26 0.00 0.00 0.00 0.00 54.91 55.40 2yu6 h ALA 43 Cb 0.65 0.44 -0.13 0.00 0.00 0.00 0.00 17.79 18.75 2yu6 h ALA 43 CO 0.02 -0.70 0.54 0.35 0.00 0.00 0.00 179.25 179.46 2yu6 h PHE 44 N 0.05 0.90 0.04 0.00 3.04 -1.15 0.94 116.94 120.77 2yu6 h PHE 44 Ca 0.69 0.04 -0.27 0.00 3.98 0.00 0.00 57.97 62.41 2yu6 h PHE 44 Cb 1.61 -0.24 -0.03 0.00 2.56 0.00 0.00 35.95 39.85 2yu6 h PHE 44 CO -0.26 -0.04 -1.44 -1.49 -2.02 0.00 0.00 178.31 173.05 2yu6 h TRP 45 N 0.46 0.17 0.00 0.41 6.55 0.52 -3.35 115.95 120.71 2yu6 h TRP 45 Ca 0.66 -0.12 0.00 0.00 0.95 0.00 0.00 58.89 60.37 2yu6 h TRP 45 Cb 1.33 -0.01 0.00 0.00 -0.86 0.00 0.00 29.16 29.63 2yu6 h TRP 45 CO -0.04 1.57 0.01 0.93 -1.05 0.00 0.00 178.44 179.86 2yu6 h GLU 46 N -0.65 0.00 -5.18 0.49 5.08 -0.29 -3.43 114.58 110.60 2yu6 h GLU 46 Ca -0.36 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.41 2yu6 h GLU 46 Cb 1.53 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.65 2yu6 h GLU 46 CO -0.10 0.00 -0.54 -1.12 -1.00 0.00 0.00 179.01 176.25 2yu6 s SER 47 N -4.92 3.27 -0.07 1.42 0.01 0.32 -4.74 113.70 109.00 2yu6 s SER 47 Ca -0.04 -1.59 -0.23 0.00 1.31 0.00 0.00 55.95 55.39 2yu6 s SER 47 Cb 0.12 0.33 -0.30 0.00 0.21 0.00 0.00 66.02 66.38 2yu6 s SER 47 CO 0.37 -0.81 0.84 0.28 0.41 0.00 0.00 173.24 174.33 2yu6 h SER 48 N 1.69 0.37 -5.59 2.44 0.02 -1.79 -3.44 113.55 107.25 2yu6 h SER 48 Ca -0.40 -0.95 -0.28 0.00 -0.84 0.00 0.00 61.79 59.32 2yu6 h SER 48 Cb 1.28 -0.12 -0.15 0.00 0.14 0.00 0.00 62.40 63.55 2yu6 h SER 48 CO 0.67 1.33 -0.60 -0.63 -1.14 0.00 0.00 176.83 176.46 2yu6 s ILE 49 N -2.39 0.02 -0.31 3.27 1.01 -1.26 -4.98 121.20 116.56 2yu6 s ILE 49 Ca -0.15 -2.00 -0.02 0.00 0.00 0.00 0.00 60.65 58.48 2yu6 s ILE 49 Cb 0.00 -2.50 0.10 0.00 0.01 0.00 0.00 42.46 40.07 2yu6 s ILE 49 CO 0.80 0.00 0.11 -0.69 0.00 0.00 0.00 174.94 175.16 2yu6 s VAL 50 N -4.05 0.53 -0.24 2.92 1.01 -1.26 -2.77 120.40 116.55 2yu6 s VAL 50 Ca 0.39 -1.20 -0.27 0.00 0.00 0.00 0.00 61.98 60.91 2yu6 s VAL 50 Cb 0.06 -1.42 0.00 0.00 0.00 0.00 0.00 36.38 35.03 2yu6 s VAL 50 CO 0.14 -0.71 0.94 -0.31 0.00 0.00 0.00 175.10 175.16 2yu6 s TYR 51 N 1.76 3.32 -0.34 5.22 2.02 -0.54 0.20 117.35 128.99 2yu6 s TYR 51 Ca 0.10 1.30 0.01 0.00 -0.37 0.00 0.00 57.07 58.11 2yu6 s TYR 51 Cb -0.17 -3.16 0.09 0.00 -0.40 0.00 0.00 41.96 38.31 2yu6 s TYR 51 CO -0.29 -0.44 0.06 -0.51 -1.57 0.00 0.00 175.55 172.80 2yu6 s LEU 52 N 3.03 4.54 -0.64 -1.29 1.43 -0.28 -0.68 118.68 124.78 2yu6 s LEU 52 Ca 0.39 -1.85 -0.28 0.00 -1.03 0.00 0.00 54.13 51.36 2yu6 s LEU 52 Cb -0.15 -1.68 0.03 0.00 0.03 0.00 0.00 46.19 44.42 2yu6 s LEU 52 CO 0.07 -0.37 1.24 -0.69 0.23 0.00 0.00 176.35 176.82 2yu6 s VAL 53 N 1.05 3.89 0.12 -1.59 1.01 -0.58 -1.03 120.40 123.27 2yu6 s VAL 53 Ca 0.04 0.70 -0.26 0.00 0.00 0.00 0.00 61.98 62.47 2yu6 s VAL 53 Cb -0.20 -4.79 -0.07 0.00 0.00 0.00 0.00 36.38 31.32 2yu6 s VAL 53 CO -0.05 -1.54 0.79 -0.36 0.00 0.00 0.00 175.10 173.94 2yu6 s PHE 54 N 5.32 3.84 -0.26 5.22 0.40 0.20 -2.10 117.98 130.59 2yu6 s PHE 54 Ca 0.40 1.60 -0.02 0.00 -0.60 0.00 0.00 56.93 58.31 2yu6 s PHE 54 Cb -0.08 -2.82 0.15 0.00 0.51 0.00 0.00 43.02 40.78 2yu6 s PHE 54 CO 0.21 0.40 0.43 0.45 0.70 0.00 0.00 175.22 177.42 2yu6 s SER 55 N -0.66 -0.15 -0.50 1.36 0.15 -0.94 -2.24 113.70 110.73 2yu6 s SER 55 Ca 0.38 0.36 -0.26 0.00 0.70 0.00 0.00 55.95 57.12 2yu6 s SER 55 Cb -0.22 1.37 -0.05 0.00 -1.71 0.00 0.00 66.02 65.41 2yu6 s SER 55 CO 0.26 -0.29 2.19 -0.69 1.20 0.00 0.00 173.24 175.90 2yu6 s VAL 56 N 2.62 3.14 -0.71 4.45 1.01 -1.26 -2.87 120.40 126.78 2yu6 s VAL 56 Ca 0.14 0.09 -0.09 0.00 0.00 0.00 0.00 61.98 62.13 2yu6 s VAL 56 Cb -0.15 -3.34 0.09 0.00 0.00 0.00 0.00 36.38 32.97 2yu6 s VAL 56 CO -0.18 -0.32 0.22 0.00 0.00 0.00 0.00 175.10 174.83 2yu6 n GLN 57 N 9.02 -1.39 0.00 2.72 10.64 -1.02 0.66 117.38 138.02 2yu6 n GLN 57 Ca 0.30 0.05 0.00 0.00 -1.83 0.00 0.00 57.00 55.53 2yu6 n GLN 57 Cb 0.53 -2.88 0.00 0.00 -0.86 0.00 0.00 30.24 27.03 2yu6 n GLN 57 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2yu6 n GLY 58 N -0.63 2.39 2.85 2.61 0.00 -1.23 -4.73 105.19 106.44 2yu6 n GLY 58 Ca 0.04 -0.47 -0.10 0.00 0.00 0.00 0.00 46.02 45.49 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 2.65 -1.75 0.00 1.61 3.41 0.21 -2.23 113.62 117.52 2yu6 n SER 59 Ca 0.00 0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 2yu6 n SER 59 Cb 0.00 -1.58 0.00 0.00 -0.26 0.00 0.00 64.21 62.37 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 -0.68 1.26 3.81 5.00 0.00 -1.26 -4.82 105.19 108.49 2yu6 n GLY 60 Ca -0.01 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 2.00 -0.59 1.61 3.76 -0.95 -3.54 115.29 117.58 2yu6 s HIS 61 Ca 0.00 -0.80 -0.23 0.00 -0.15 0.00 0.00 55.06 53.88 2yu6 s HIS 61 Cb 0.00 -1.83 0.05 0.00 1.11 0.00 0.00 32.58 31.92 2yu6 s HIS 61 CO 0.00 -0.04 0.92 -0.06 -0.85 0.00 0.00 174.74 174.71 2yu6 s PHE 62 N -2.76 2.77 0.58 1.40 0.08 0.47 -4.77 117.98 115.76 2yu6 s PHE 62 Ca 0.27 -0.27 0.32 0.00 0.12 0.00 0.00 56.93 57.37 2yu6 s PHE 62 Cb 0.01 -4.11 1.08 0.00 -0.57 0.00 0.00 43.02 39.44 2yu6 s PHE 62 CO 0.16 -1.44 1.32 1.04 -0.10 0.00 0.00 175.22 176.20 2yu6 n GLN 63 N 7.45 0.01 0.00 0.44 1.13 -1.18 -3.56 117.38 121.66 2yu6 n GLN 63 Ca -0.01 1.01 0.00 0.00 -1.94 0.00 0.00 57.00 56.06 2yu6 n GLN 63 Cb 0.46 -2.46 0.00 0.00 0.11 0.00 0.00 30.24 28.36 2yu6 n GLN 63 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2yu6 n GLY 64 N -1.75 0.95 3.31 1.08 0.00 -0.95 -4.34 105.19 103.49 2yu6 n GLY 64 Ca 0.28 -2.16 -0.16 0.00 0.00 0.00 0.00 46.02 43.98 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 -1.00 1.49 -0.16 1.61 -0.71 -1.26 0.60 117.98 118.55 2yu6 s PHE 65 Ca 0.00 -0.81 -0.09 0.00 -1.04 0.00 0.00 56.93 54.98 2yu6 s PHE 65 Cb 0.00 -0.81 0.05 0.00 -1.21 0.00 0.00 43.02 41.06 2yu6 s PHE 65 CO 0.00 0.07 0.39 -1.12 -1.34 0.00 0.00 175.22 173.22 2yu6 s SER 66 N -3.26 -0.48 -0.36 1.98 0.01 -0.20 -3.42 113.70 107.97 2yu6 s SER 66 Ca 0.23 0.84 -0.25 0.00 1.31 0.00 0.00 55.95 58.08 2yu6 s SER 66 Cb 0.04 0.74 0.01 0.00 0.21 0.00 0.00 66.02 67.02 2yu6 s SER 66 CO 0.06 -0.18 0.90 0.00 0.41 0.00 0.00 173.24 174.43 2yu6 s ARG 67 N 1.23 3.86 -0.37 12.44 1.70 -0.65 -1.12 118.95 136.04 2yu6 s ARG 67 Ca -0.08 0.59 -0.45 0.00 -0.47 0.00 0.00 55.73 55.31 2yu6 s ARG 67 Cb -0.08 -3.79 -0.20 0.00 -0.57 0.00 0.00 34.95 30.31 2yu6 s ARG 67 CO -0.11 -0.90 1.46 -0.12 -1.08 0.00 0.00 175.30 174.56 2yu6 n MET 68 N 6.66 0.00 -0.07 3.89 0.00 0.13 -1.64 117.12 126.09 2yu6 n MET 68 Ca 0.07 0.00 -0.19 0.00 -0.00 0.00 0.00 57.70 57.58 2yu6 n MET 68 Cb 0.48 -1.50 -0.13 0.00 0.00 0.00 0.00 33.22 32.07 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 3.34 1.96 -4.38 6.12 2.88 -1.14 -4.53 113.62 117.86 2yu6 n SER 69 Ca 0.28 0.02 -0.21 0.00 -1.33 0.00 0.00 58.87 57.63 2yu6 n SER 69 Cb -0.02 -0.54 -0.10 0.00 -0.75 0.00 0.00 64.21 62.79 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 -6.69 2.89 0.64 -3.46 0.15 -1.22 -4.99 113.70 101.01 2yu6 s SER 70 Ca -0.29 -0.99 -0.07 0.00 0.70 0.00 0.00 55.95 55.30 2yu6 s SER 70 Cb 0.08 -0.19 0.02 0.00 -1.71 0.00 0.00 66.02 64.23 2yu6 s SER 70 CO 0.68 -0.09 0.96 -1.83 1.20 0.00 0.00 173.24 174.17 2yu6 s GLU 71 N -3.45 2.72 0.16 5.44 -1.05 -1.26 -4.08 118.70 117.18 2yu6 s GLU 71 Ca 0.23 0.01 -0.19 0.00 -0.15 0.00 0.00 54.97 54.88 2yu6 s GLU 71 Cb -0.03 -2.20 -0.08 0.00 -0.44 0.00 0.00 34.13 31.38 2yu6 s GLU 71 CO 0.09 -0.90 0.65 0.42 0.95 0.00 0.00 175.26 176.48 2yu6 s ILE 72 N -3.12 4.66 0.00 1.83 1.01 -1.26 -4.60 121.20 119.72 2yu6 s ILE 72 Ca 0.56 1.20 0.00 0.00 0.00 0.00 0.00 60.65 62.41 2yu6 s ILE 72 Cb -0.11 -3.87 0.00 0.00 0.01 0.00 0.00 42.46 38.50 2yu6 s ILE 72 CO 0.46 0.33 0.00 0.61 0.00 0.00 0.00 174.94 176.34 2yu6 n GLY 73 N 1.06 -0.12 0.55 6.18 0.00 -1.22 -4.90 105.19 106.75 2yu6 n GLY 73 Ca -0.05 -0.49 0.43 0.00 0.00 0.00 0.00 46.02 45.91 2yu6 n GLY 73 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2yu6 n ARG 74 N 0.00 -0.01 -1.74 1.61 0.00 -1.26 -4.29 116.66 110.98 2yu6 n ARG 74 Ca 0.00 0.98 -0.42 0.00 -0.00 0.00 0.00 57.85 58.41 2yu6 n ARG 74 Cb 0.00 -2.16 -0.03 0.00 -0.00 0.00 0.00 32.46 30.28 2yu6 n ARG 74 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 2yu6 s GLU 75 N -4.73 4.15 0.26 2.89 2.56 -1.26 -4.96 118.70 117.61 2yu6 s GLU 75 Ca -0.05 2.54 -0.00 0.00 0.00 0.00 0.00 54.97 57.46 2yu6 s GLU 75 Cb 0.24 -4.04 -0.03 0.00 2.00 0.00 0.00 34.13 32.30 2yu6 s GLU 75 CO 0.75 -0.92 0.26 0.15 -0.56 0.00 0.00 175.26 174.95 2yu6 s LYS 76 N 4.11 1.50 0.24 4.30 -0.14 -1.26 -1.87 119.74 126.63 2yu6 s LYS 76 Ca 0.85 -1.72 -0.06 0.00 -1.36 0.00 0.00 55.97 53.69 2yu6 s LYS 76 Cb -0.42 0.33 0.02 0.00 -1.68 0.00 0.00 37.83 36.09 2yu6 s LYS 76 CO 0.39 -0.55 0.42 0.45 -0.76 0.00 0.00 175.35 175.29 2yu6 n SER 77 N -0.82 -1.20 0.04 2.83 2.88 -1.26 -4.99 113.62 111.10 2yu6 n SER 77 Ca 0.03 -2.13 -0.01 0.00 -1.33 0.00 0.00 58.87 55.43 2yu6 n SER 77 Cb 0.64 2.09 -0.00 0.00 -0.75 0.00 0.00 64.21 66.18 2yu6 n SER 77 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 2yu6 n GLN 78 N -0.36 0.04 -1.49 -1.46 -0.06 -1.26 -4.98 117.38 107.81 2yu6 n GLN 78 Ca -0.03 0.01 -0.46 0.00 -2.00 0.00 0.00 57.00 54.52 2yu6 n GLN 78 Cb 0.38 -0.56 -0.07 0.00 -4.06 0.00 0.00 30.24 25.93 2yu6 n GLN 78 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 2yu6 n ASP 79 N -3.54 2.09 -3.48 1.69 9.92 -1.26 -4.87 116.55 117.09 2yu6 n ASP 79 Ca -0.01 0.20 -0.10 0.00 -0.53 0.00 0.00 54.79 54.35 2yu6 n ASP 79 Cb 0.06 -1.32 -0.02 0.00 -0.64 0.00 0.00 41.12 39.20 2yu6 n ASP 79 CO 0.00 0.00 0.00 0.26 0.13 0.00 0.00 177.20 177.59 2yu6 s TRP 80 N 8.49 -0.42 -0.02 1.24 0.23 -1.26 -5.03 118.94 122.17 2yu6 s TRP 80 Ca 1.09 0.24 -0.20 0.00 -2.03 0.00 0.00 56.10 55.20 2yu6 s TRP 80 Cb -0.72 0.56 -0.29 0.00 0.03 0.00 0.00 33.47 33.04 2yu6 s TRP 80 CO 0.43 -0.71 0.98 0.78 0.96 0.00 0.00 176.95 179.39 2yu6 h GLY 81 N 2.00 0.43 -6.11 0.98 0.00 -1.96 -3.45 103.07 94.96 2yu6 h GLY 81 Ca -0.27 -0.96 -0.55 0.00 0.00 0.00 0.00 47.33 45.55 2yu6 h GLY 81 CO 0.34 0.84 -0.82 -0.56 0.00 0.00 0.00 176.54 176.34 2yu6 s SER 82 N -6.99 2.19 0.36 0.19 0.01 -1.26 -5.01 113.70 103.19 2yu6 s SER 82 Ca -0.13 -0.36 0.08 0.00 1.31 0.00 0.00 55.95 56.85 2yu6 s SER 82 Cb 0.02 -0.96 0.68 0.00 0.21 0.00 0.00 66.02 65.97 2yu6 s SER 82 CO 0.85 -0.01 1.86 0.00 0.41 0.00 0.00 173.24 176.34 2yu6 h ALA 83 N 7.48 1.40 -1.46 1.44 0.00 -1.96 -3.02 119.26 123.13 2yu6 h ALA 83 Ca -0.31 -0.25 0.47 0.00 0.00 0.00 0.00 54.91 54.82 2yu6 h ALA 83 Cb 1.17 -0.09 -0.11 0.00 0.00 0.00 0.00 17.79 18.76 2yu6 h ALA 83 CO 0.47 0.42 0.99 0.41 0.00 0.00 0.00 179.25 181.54 2yu6 n GLY 84 N -0.71 -0.82 3.22 0.00 0.00 -1.26 -4.57 105.19 101.05 2yu6 n GLY 84 Ca -0.01 0.67 -0.38 0.00 0.00 0.00 0.00 46.02 46.31 2yu6 n GLY 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2yu6 n LEU 85 N -4.25 -3.65 -3.30 0.99 4.77 -1.15 -4.98 117.00 105.43 2yu6 n LEU 85 Ca 0.38 0.55 -0.06 0.00 -0.03 0.00 0.00 56.01 56.85 2yu6 n LEU 85 Cb 1.59 -0.87 -0.06 0.00 -2.33 0.00 0.00 43.42 41.74 2yu6 n LEU 85 CO 0.25 -4.86 -0.02 -0.83 -1.33 0.00 0.00 177.39 170.60 2yu6 s GLY 86 N -1.04 -0.59 0.00 -0.72 0.00 -1.26 -5.05 107.32 98.66 2yu6 s GLY 86 Ca 0.54 0.86 0.00 0.00 0.00 0.00 0.00 44.72 46.12 2yu6 s GLY 86 CO 0.69 2.93 0.00 0.61 0.00 0.00 0.00 173.10 177.33 2yu6 n GLY 87 N 5.37 -0.09 3.93 0.20 0.00 -1.26 -4.58 105.19 108.76 2yu6 n GLY 87 Ca -0.02 -0.73 -0.26 0.00 0.00 0.00 0.00 46.02 45.02 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 5.01 0.02 1.61 1.01 -0.78 -4.56 120.40 122.71 2yu6 s VAL 88 Ca 0.00 -0.15 -0.23 0.00 0.00 0.00 0.00 61.98 61.60 2yu6 s VAL 88 Cb 0.00 -3.86 0.05 0.00 0.00 0.00 0.00 36.38 32.57 2yu6 s VAL 88 CO 0.00 -0.69 0.51 0.72 0.00 0.00 0.00 175.10 175.65 2yu6 s PHE 89 N -2.51 -0.42 0.66 5.22 -0.71 -1.05 -3.38 117.98 115.79 2yu6 s PHE 89 Ca 0.43 0.55 -0.11 0.00 -1.04 0.00 0.00 56.93 56.76 2yu6 s PHE 89 Cb -0.10 0.31 -0.01 0.00 -1.21 0.00 0.00 43.02 42.01 2yu6 s PHE 89 CO 0.40 -0.60 1.06 0.15 -1.34 0.00 0.00 175.22 174.89 2yu6 s LYS 90 N -2.05 3.23 -0.08 1.99 1.02 -1.26 -0.37 119.74 122.22 2yu6 s LYS 90 Ca -0.08 0.65 -0.05 0.00 0.02 0.00 0.00 55.97 56.51 2yu6 s LYS 90 Cb -0.01 -2.05 0.03 0.00 -0.52 0.00 0.00 37.83 35.29 2yu6 s LYS 90 CO 0.01 -0.81 0.20 0.14 -0.92 0.00 0.00 175.35 173.97 2yu6 s VAL 91 N -3.24 -0.03 -0.54 3.17 -7.23 -1.15 -2.90 120.40 108.48 2yu6 s VAL 91 Ca 0.57 0.10 -0.22 0.00 -1.81 0.00 0.00 61.98 60.61 2yu6 s VAL 91 Cb -0.11 -0.30 0.05 0.00 0.56 0.00 0.00 36.38 36.57 2yu6 s VAL 91 CO 0.53 0.04 0.83 -0.70 -0.31 0.00 0.00 175.10 175.49 2yu6 s GLU 92 N 0.79 3.25 -0.08 4.82 2.12 -0.65 -4.78 118.70 124.17 2yu6 s GLU 92 Ca -0.06 -0.50 -0.30 0.00 0.36 0.00 0.00 54.97 54.48 2yu6 s GLU 92 Cb -0.07 -4.07 -0.03 0.00 0.26 0.00 0.00 34.13 30.22 2yu6 s GLU 92 CO -0.05 -1.40 1.24 -1.58 -0.54 0.00 0.00 175.26 172.93 2yu6 s TRP 93 N 3.48 3.06 -0.16 5.30 0.52 -1.26 -1.64 118.94 128.24 2yu6 s TRP 93 Ca 0.25 1.12 -0.13 0.00 0.02 0.00 0.00 56.10 57.35 2yu6 s TRP 93 Cb -0.15 -3.47 -0.05 0.00 -1.15 0.00 0.00 33.47 28.65 2yu6 s TRP 93 CO 0.16 -1.54 -0.24 -0.89 0.02 0.00 0.00 176.95 174.47 2yu6 n ILE 94 N 4.82 1.46 -3.94 2.03 -0.00 -1.22 -4.98 119.36 117.53 2yu6 n ILE 94 Ca 0.12 0.16 -0.20 0.00 -0.00 0.00 0.00 62.75 62.83 2yu6 n ILE 94 Cb 0.46 -2.35 -0.17 0.00 -0.00 0.00 0.00 39.64 37.58 2yu6 n ILE 94 CO 0.00 0.00 0.00 -0.13 -0.00 0.00 0.00 176.55 176.42 2yu6 s ARG 95 N -2.53 0.55 -0.32 0.38 1.81 -1.26 -5.02 118.95 112.57 2yu6 s ARG 95 Ca -0.22 0.04 0.07 0.00 -1.72 0.00 0.00 55.73 53.90 2yu6 s ARG 95 Cb 0.03 -0.76 0.62 0.00 -0.45 0.00 0.00 34.95 34.40 2yu6 s ARG 95 CO 0.33 -0.18 1.71 1.63 -0.68 0.00 0.00 175.30 178.10 2yu6 n LYS 96 N 4.50 2.94 -2.13 3.54 4.01 -1.26 -4.12 118.16 125.64 2yu6 n LYS 96 Ca -0.18 -2.63 -0.27 0.00 -0.51 0.00 0.00 58.31 54.72 2yu6 n LYS 96 Cb 0.50 -2.07 0.07 0.00 -0.51 0.00 0.00 35.03 33.02 2yu6 n LYS 96 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 2yu6 s GLU 97 N -2.71 2.24 -0.27 1.97 2.56 -1.26 -4.93 118.70 116.30 2yu6 s GLU 97 Ca 0.48 -0.11 -0.03 0.00 0.00 0.00 0.00 54.97 55.31 2yu6 s GLU 97 Cb 0.39 -2.12 0.03 0.00 2.00 0.00 0.00 34.13 34.43 2yu6 s GLU 97 CO 0.11 -1.27 -0.02 -1.12 -0.56 0.00 0.00 175.26 172.41 2yu6 s SER 98 N -4.51 4.63 -0.23 -1.70 0.01 -1.26 -4.02 113.70 106.62 2yu6 s SER 98 Ca 0.60 -0.94 -0.12 0.00 1.31 0.00 0.00 55.95 56.81 2yu6 s SER 98 Cb -0.11 -1.72 -0.05 0.00 0.21 0.00 0.00 66.02 64.35 2yu6 s SER 98 CO 0.46 -0.17 0.21 -0.22 0.41 0.00 0.00 173.24 173.92 2yu6 s LEU 99 N 1.34 4.12 0.22 2.44 2.96 -1.23 -4.80 118.68 123.73 2yu6 s LEU 99 Ca -0.01 0.19 -0.30 0.00 -0.22 0.00 0.00 54.13 53.79 2yu6 s LEU 99 Cb -0.17 -2.18 -0.09 0.00 0.50 0.00 0.00 46.19 44.24 2yu6 s LEU 99 CO -0.02 0.04 1.29 -2.16 -1.32 0.00 0.00 176.35 174.17 2yu6 s PRO 100 N 1.11 4.41 0.29 0.98 0.04 -1.26 -0.39 135.00 140.18 2yu6 s PRO 100 Ca 0.10 2.05 0.04 0.00 0.04 0.00 0.00 61.00 63.22 2yu6 s PRO 100 Cb -0.14 -3.18 0.74 0.00 0.04 0.00 0.00 34.50 31.96 2yu6 s PRO 100 CO 0.05 -0.20 1.68 0.74 0.04 0.00 0.00 177.00 179.31 2yu6 h PHE 101 N 5.01 0.58 -1.90 0.56 0.04 -1.94 0.23 116.94 119.52 2yu6 h PHE 101 Ca -0.45 0.04 0.55 0.00 2.80 0.00 0.00 57.97 60.91 2yu6 h PHE 101 Cb 1.22 -0.11 -0.08 0.00 2.20 0.00 0.00 35.95 39.18 2yu6 h PHE 101 CO 0.61 -0.10 1.39 0.37 -0.60 0.00 0.00 178.31 179.98 2yu6 h GLN 102 N 0.34 0.00 -0.02 1.51 4.15 -1.91 1.58 115.11 120.75 2yu6 h GLN 102 Ca 0.56 0.00 -0.18 0.00 0.77 0.00 0.00 58.65 59.80 2yu6 h GLN 102 Cb 1.11 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.81 2yu6 h GLN 102 CO -0.57 0.00 -0.69 0.74 -1.93 0.00 0.00 178.83 176.38 2yu6 h PHE 103 N 0.00 0.75 -0.62 3.99 -1.00 -0.91 -3.27 116.94 115.87 2yu6 h PHE 103 Ca 0.90 -0.39 -0.17 0.00 2.81 0.00 0.00 57.97 61.12 2yu6 h PHE 103 Cb 3.67 -0.09 -0.10 0.00 3.61 0.00 0.00 35.95 43.04 2yu6 h PHE 103 CO 0.00 1.21 0.18 0.00 -1.61 0.00 0.00 178.31 178.09 2yu6 n ALA 104 N -2.60 4.28 0.03 2.45 0.00 0.47 -4.47 120.51 120.68 2yu6 n ALA 104 Ca -0.10 -2.40 -0.11 0.00 0.00 0.00 0.00 53.44 50.83 2yu6 n ALA 104 Cb 0.71 -1.11 0.01 0.00 0.00 0.00 0.00 19.45 19.07 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 2.47 0.67 -0.02 0.00 6.17 0.34 -3.16 115.15 121.62 2yu6 h HIS 105 Ca 0.21 -0.29 -0.15 0.00 0.71 0.00 0.00 60.37 60.85 2yu6 h HIS 105 Cb 2.12 -0.11 -0.02 0.00 2.52 0.00 0.00 27.41 31.93 2yu6 h HIS 105 CO 1.14 1.05 -0.70 1.12 0.71 0.00 0.00 177.93 181.25 2yu6 h HIS 106 N 0.35 0.15 -3.85 5.26 2.07 -1.81 -3.45 115.15 113.87 2yu6 h HIS 106 Ca -0.03 -0.07 -0.52 0.00 -2.85 0.00 0.00 60.37 56.91 2yu6 h HIS 106 Cb 1.29 -0.02 0.05 0.00 2.57 0.00 0.00 27.41 31.30 2yu6 h HIS 106 CO 0.05 0.77 0.60 -0.51 -3.07 0.00 0.00 177.93 175.77 2yu6 s LEU 107 N -7.60 4.46 0.28 6.12 1.43 -1.19 -5.01 118.68 117.17 2yu6 s LEU 107 Ca -0.02 2.58 0.03 0.00 -1.03 0.00 0.00 54.13 55.69 2yu6 s LEU 107 Cb 0.12 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.66 2yu6 s LEU 107 CO 0.79 -0.44 0.16 -0.76 0.23 0.00 0.00 176.35 176.33 2yu6 s LEU 108 N -1.66 1.56 -0.31 1.79 1.43 -1.26 -2.36 118.68 117.88 2yu6 s LEU 108 Ca 0.48 -1.53 0.02 0.00 -1.03 0.00 0.00 54.13 52.07 2yu6 s LEU 108 Cb -0.38 0.27 0.08 0.00 0.03 0.00 0.00 46.19 46.19 2yu6 s LEU 108 CO 0.50 -0.89 -0.01 0.21 0.23 0.00 0.00 176.35 176.39 2yu6 s ASN 109 N -3.32 4.71 0.00 2.29 3.84 0.07 -4.62 114.94 117.91 2yu6 s ASN 109 Ca 0.37 -1.71 0.10 0.00 0.21 0.00 0.00 52.86 51.83 2yu6 s ASN 109 Cb 0.05 -1.63 0.61 0.00 -0.55 0.00 0.00 41.25 39.73 2yu6 s ASN 109 CO 0.17 -0.30 1.05 -0.81 -2.79 0.00 0.00 177.10 174.42 2yu6 n PRO 110 N 4.41 0.49 -0.00 0.43 -0.04 -1.26 -1.08 135.00 137.95 2yu6 n PRO 110 Ca -0.06 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.49 2yu6 n PRO 110 Cb 0.42 -1.33 -0.13 0.00 -0.04 0.00 0.00 33.50 32.43 2yu6 n PRO 110 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 2yu6 n TRP 111 N -0.83 0.00 -3.18 0.54 7.02 -1.26 -4.49 117.44 115.25 2yu6 n TRP 111 Ca 0.08 0.00 -0.22 0.00 -1.02 0.00 0.00 57.50 56.33 2yu6 n TRP 111 Cb 0.03 -0.13 -0.05 0.00 -2.42 0.00 0.00 31.31 28.75 2yu6 n TRP 111 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 2yu6 n ASN 112 N -1.68 1.58 -3.49 -0.99 5.15 -0.80 -4.91 115.26 110.13 2yu6 n ASN 112 Ca 0.02 -3.08 -0.22 0.00 -0.60 0.00 0.00 54.58 50.70 2yu6 n ASN 112 Cb 0.38 -0.62 0.08 0.00 -0.53 0.00 0.00 39.78 39.09 2yu6 n ASN 112 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2yu6 n ASP 113 N 0.61 -5.31 -1.76 1.20 8.00 -1.26 -1.92 116.55 116.12 2yu6 n ASP 113 Ca 0.25 -0.55 -0.01 0.00 0.71 0.00 0.00 54.79 55.20 2yu6 n ASP 113 Cb 0.55 -4.95 -0.00 0.00 -0.02 0.00 0.00 41.12 36.69 2yu6 n ASP 113 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2yu6 n ASN 114 N -2.95 -0.67 -4.75 -2.24 2.85 -0.24 -4.82 115.26 102.44 2yu6 n ASN 114 Ca -0.06 0.25 -0.41 0.00 -0.11 0.00 0.00 54.58 54.25 2yu6 n ASN 114 Cb 0.58 -0.88 -0.03 0.00 1.24 0.00 0.00 39.78 40.69 2yu6 n ASN 114 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 2yu6 s LYS 115 N -3.53 4.49 0.46 1.20 -0.14 -0.81 -4.15 119.74 117.26 2yu6 s LYS 115 Ca 0.00 1.96 -0.13 0.00 -1.36 0.00 0.00 55.97 56.44 2yu6 s LYS 115 Cb 0.00 -3.18 -0.11 0.00 -1.68 0.00 0.00 37.83 32.86 2yu6 s LYS 115 CO 0.00 -0.06 -0.22 1.17 -0.76 0.00 0.00 175.35 175.49 2yu6 n LYS 116 N 1.79 0.00 0.12 1.68 4.81 -1.26 -0.75 118.16 124.54 2yu6 n LYS 116 Ca 0.02 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.41 2yu6 n LYS 116 Cb 0.44 -0.74 -0.03 0.00 0.02 0.00 0.00 35.03 34.72 2yu6 n LYS 116 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2yu6 h VAL 117 N -0.18 0.00 -0.97 3.15 2.07 -1.70 -2.19 116.25 116.43 2yu6 h VAL 117 Ca -0.31 0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.49 2yu6 h VAL 117 Cb 1.05 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 2yu6 h VAL 117 CO 0.28 0.00 1.21 0.06 0.02 0.00 0.00 177.57 179.13 2yu6 h GLN 118 N -0.32 0.00 -3.75 1.57 3.07 -1.87 -2.88 115.11 110.93 2yu6 h GLN 118 Ca -0.03 0.00 -0.71 0.00 0.09 0.00 0.00 58.65 58.00 2yu6 h GLN 118 Cb 0.26 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 27.78 2yu6 h GLN 118 CO 0.03 0.00 3.14 -0.89 0.09 0.00 0.00 178.83 181.20 2yu6 n ILE 119 N -3.21 3.73 -3.80 1.86 5.41 -0.82 -4.86 119.36 117.68 2yu6 n ILE 119 Ca 0.22 -3.10 -0.13 0.00 1.00 0.00 0.00 62.75 60.74 2yu6 n ILE 119 Cb 1.50 -2.58 -0.12 0.00 -0.71 0.00 0.00 39.64 37.73 2yu6 n ILE 119 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 2yu6 s SER 120 N 2.73 -0.23 0.62 4.38 0.01 -1.09 -4.78 113.70 115.34 2yu6 s SER 120 Ca 0.50 0.43 -0.02 0.00 1.31 0.00 0.00 55.95 58.18 2yu6 s SER 120 Cb 0.14 0.45 0.05 0.00 0.21 0.00 0.00 66.02 66.87 2yu6 s SER 120 CO -0.08 -0.09 0.88 -0.13 0.41 0.00 0.00 173.24 174.24 2yu6 s ARG 121 N 0.06 2.39 0.36 12.44 3.00 -1.26 -4.88 118.95 131.07 2yu6 s ARG 121 Ca -0.01 -0.54 -0.28 0.00 0.00 0.00 0.00 55.73 54.90 2yu6 s ARG 121 Cb -0.02 -2.34 -0.11 0.00 0.00 0.00 0.00 34.95 32.47 2yu6 s ARG 121 CO 0.00 -0.95 1.46 -3.47 0.00 0.00 0.00 175.30 172.35 2yu6 n ASP 122 N -2.60 3.61 -1.75 0.23 2.03 -1.26 -2.69 116.55 114.12 2yu6 n ASP 122 Ca 0.08 1.21 -0.11 0.00 0.52 0.00 0.00 54.79 56.50 2yu6 n ASP 122 Cb 0.60 -1.59 0.03 0.00 -0.72 0.00 0.00 41.12 39.44 2yu6 n ASP 122 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2yu6 n GLY 123 N 0.72 0.18 3.44 0.27 0.00 -0.88 -4.95 105.19 103.97 2yu6 n GLY 123 Ca 0.03 -0.30 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 2yu6 n GLY 123 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2yu6 s GLN 124 N -5.34 3.62 0.07 1.61 2.00 -1.09 -4.98 119.66 115.55 2yu6 s GLN 124 Ca 0.21 -0.50 -0.31 0.00 -2.00 0.00 0.00 55.36 52.76 2yu6 s GLN 124 Cb -0.09 -3.20 -0.08 0.00 0.80 0.00 0.00 33.01 30.44 2yu6 s GLN 124 CO 0.26 -0.10 1.58 -2.00 -0.50 0.00 0.00 175.29 174.53 2yu6 s GLU 125 N 1.34 4.22 -0.13 1.67 2.12 -1.26 -2.65 118.70 124.01 2yu6 s GLU 125 Ca 0.05 2.25 -0.02 0.00 0.36 0.00 0.00 54.97 57.61 2yu6 s GLU 125 Cb -0.15 -3.52 -0.03 0.00 0.26 0.00 0.00 34.13 30.69 2yu6 s GLU 125 CO 0.02 -0.67 -0.06 -1.17 -0.54 0.00 0.00 175.26 172.83 2yu6 s LEU 126 N 2.34 3.14 0.36 2.70 2.96 -0.35 -4.95 118.68 124.88 2yu6 s LEU 126 Ca 0.71 -0.13 -0.28 0.00 -0.22 0.00 0.00 54.13 54.21 2yu6 s LEU 126 Cb -0.39 -1.73 -0.11 0.00 0.50 0.00 0.00 46.19 44.46 2yu6 s LEU 126 CO 0.31 0.22 1.48 1.21 -1.32 0.00 0.00 176.35 178.25 2yu6 n GLU 127 N 3.17 2.63 0.00 1.98 2.13 -1.26 -3.97 120.64 125.32 2yu6 n GLU 127 Ca -0.18 0.92 0.08 0.00 0.66 0.00 0.00 57.16 58.64 2yu6 n GLU 127 Cb 0.53 -2.65 0.43 0.00 0.27 0.00 0.00 31.44 30.02 2yu6 n GLU 127 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 2yu6 n PRO 128 N 0.66 0.40 -0.04 5.31 -0.04 -1.26 -1.21 135.00 138.82 2yu6 n PRO 128 Ca 0.02 0.05 -0.22 0.00 -0.04 0.00 0.00 63.50 63.31 2yu6 n PRO 128 Cb 0.38 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.21 2yu6 n PRO 128 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 2yu6 h GLN 129 N 0.00 0.16 0.00 0.54 -0.00 -1.98 -3.32 115.11 110.51 2yu6 h GLN 129 Ca 0.00 -0.27 -0.02 0.00 -0.00 0.00 0.00 58.65 58.36 2yu6 h GLN 129 Cb 0.04 0.10 -0.00 0.00 0.00 0.00 0.00 27.48 27.62 2yu6 h GLN 129 CO 0.00 1.13 -1.11 1.33 0.00 0.00 0.00 178.83 180.17 2yu6 n VAL 130 N -3.93 0.67 0.31 2.39 0.24 -1.13 -3.82 118.33 113.06 2yu6 n VAL 130 Ca -0.31 -0.57 0.13 0.00 -2.04 0.00 0.00 64.34 61.55 2yu6 n VAL 130 Cb 0.88 -0.37 0.34 0.00 -1.47 0.00 0.00 33.84 33.22 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 3.96 0.00 0.49 7.63 0.00 -1.35 -2.52 103.07 111.28 2yu6 h GLY 131 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.05 2yu6 h GLY 131 CO 0.01 0.00 -1.30 1.05 0.00 0.00 0.00 176.54 176.30 2yu6 h GLU 132 N 0.00 0.21 0.00 4.80 4.11 -1.68 -3.31 114.58 118.72 2yu6 h GLU 132 Ca 0.00 -0.36 0.00 0.00 0.07 0.00 0.00 59.36 59.07 2yu6 h GLU 132 Cb 0.82 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.20 2yu6 h GLU 132 CO 0.00 1.17 0.00 0.00 0.07 0.00 0.00 179.01 180.25 2yu6 n GLN 133 N -4.01 0.04 0.09 1.06 10.64 -1.24 -3.10 117.38 120.86 2yu6 n GLN 133 Ca -0.24 0.08 -0.16 0.00 -1.83 0.00 0.00 57.00 54.84 2yu6 n GLN 133 Cb 0.86 -1.50 -0.14 0.00 -0.86 0.00 0.00 30.24 28.60 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 0.42 -0.02 2.61 5.85 -1.56 -3.36 115.31 119.26 2yu6 h LEU 134 Ca 0.00 -0.48 -0.03 0.00 0.84 0.00 0.00 57.88 58.21 2yu6 h LEU 134 Cb 0.40 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.30 2yu6 h LEU 134 CO 0.00 1.38 -0.10 -0.07 -0.34 0.00 0.00 178.44 179.31 2yu6 h LEU 135 N 0.07 0.12 -1.48 2.25 3.38 -1.62 -3.16 115.31 114.87 2yu6 h LEU 135 Ca -0.16 -0.67 0.34 0.00 0.09 0.00 0.00 57.88 57.48 2yu6 h LEU 135 Cb 1.99 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 42.65 2yu6 h LEU 135 CO 0.19 0.77 1.12 0.06 0.09 0.00 0.00 178.44 180.68 2yu6 h GLN 136 N -0.52 0.00 -0.70 1.13 3.07 -1.69 0.38 115.11 116.79 2yu6 h GLN 136 Ca -0.01 0.00 0.12 0.00 0.09 0.00 0.00 58.65 58.85 2yu6 h GLN 136 Cb 0.77 0.00 -0.08 0.00 0.08 0.00 0.00 27.48 28.25 2yu6 h GLN 136 CO 0.02 0.00 0.28 -0.07 0.09 0.00 0.00 178.83 179.15 2yu6 h LEU 137 N 0.00 0.28 -1.99 0.06 3.38 -1.68 0.19 115.31 115.55 2yu6 h LEU 137 Ca 0.56 0.09 0.13 0.00 0.09 0.00 0.00 57.88 58.75 2yu6 h LEU 137 Cb 2.80 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 43.60 2yu6 h LEU 137 CO -0.01 0.13 0.45 -0.50 0.09 0.00 0.00 178.44 178.60 2yu6 h TRP 138 N 0.45 0.00 0.00 1.13 6.55 -0.44 0.48 115.95 124.12 2yu6 h TRP 138 Ca 0.37 0.00 -0.10 0.00 0.95 0.00 0.00 58.89 60.11 2yu6 h TRP 138 Cb 0.50 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.79 2yu6 h TRP 138 CO -0.16 0.00 -0.47 0.93 -1.05 0.00 0.00 178.44 177.69 2yu6 h GLU 139 N 0.00 0.00 0.00 0.49 5.08 -0.75 -2.88 114.58 116.52 2yu6 h GLU 139 Ca 0.22 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.54 2yu6 h GLU 139 Cb 1.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 2yu6 h GLU 139 CO -0.00 0.47 -0.17 0.00 -1.00 0.00 0.00 179.01 178.31 2yu6 h ARG 140 N 0.00 0.00 0.00 2.33 3.08 -0.01 -3.53 114.38 116.26 2yu6 h ARG 140 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2yu6 h ARG 140 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.06 2yu6 h ARG 140 CO 0.06 0.17 0.00 1.28 -1.07 0.00 0.00 179.97 180.41