#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 3.40 0.21 1.61 0.01 -1.26 -5.04 113.70 112.63 2yu6 s SER 2 Ca 0.00 -0.85 -0.19 0.00 1.31 0.00 0.00 55.95 56.22 2yu6 s SER 2 Cb 0.00 -0.25 0.19 0.00 0.21 0.00 0.00 66.02 66.17 2yu6 s SER 2 CO 0.00 0.13 1.57 0.28 0.41 0.00 0.00 173.24 175.63 2yu6 h SER 3 N 3.30 -1.22 0.00 2.44 0.02 -2.11 -3.45 113.55 112.52 2yu6 h SER 3 Ca -0.47 0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 2yu6 h SER 3 Cb 1.20 0.64 0.00 0.00 0.14 0.00 0.00 62.40 64.38 2yu6 h SER 3 CO 0.47 -0.30 0.00 0.61 -1.14 0.00 0.00 176.83 176.47 2yu6 n GLY 4 N -1.46 3.68 3.30 -3.77 0.00 -1.26 -5.17 105.19 100.51 2yu6 n GLY 4 Ca 0.07 -0.88 -0.28 0.00 0.00 0.00 0.00 46.02 44.93 2yu6 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yu6 s SER 5 N 1.72 2.80 0.30 1.61 0.15 -1.26 -5.15 113.70 113.88 2yu6 s SER 5 Ca 0.00 -0.56 0.09 0.00 0.70 0.00 0.00 55.95 56.19 2yu6 s SER 5 Cb 0.00 -0.24 -0.05 0.00 -1.71 0.00 0.00 66.02 64.02 2yu6 s SER 5 CO 0.00 0.20 -0.00 -0.94 1.20 0.00 0.00 173.24 173.70 2yu6 s SER 6 N -1.23 4.35 0.00 5.45 1.04 -1.26 -5.12 113.70 116.94 2yu6 s SER 6 Ca 0.10 -0.80 0.00 0.00 0.48 0.00 0.00 55.95 55.72 2yu6 s SER 6 Cb -0.09 -0.68 0.00 0.00 0.10 0.00 0.00 66.02 65.35 2yu6 s SER 6 CO 0.02 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.75 2yu6 n GLY 7 N -0.92 -2.20 3.78 7.32 0.00 -1.26 -5.02 105.19 106.90 2yu6 n GLY 7 Ca -0.05 -1.22 -0.38 0.00 0.00 0.00 0.00 46.02 44.37 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 -2.27 4.27 0.56 1.61 0.11 -1.26 -4.17 120.40 119.25 2yu6 s VAL 8 Ca 0.00 1.77 0.08 0.00 -2.93 0.00 0.00 61.98 60.90 2yu6 s VAL 8 Cb 0.00 -4.07 0.07 0.00 -1.53 0.00 0.00 36.38 30.84 2yu6 s VAL 8 CO 0.00 0.29 0.64 -0.13 -3.33 0.00 0.00 175.10 172.57 2yu6 s ARG 9 N -1.71 2.30 -0.05 1.54 0.52 -1.23 -4.89 118.95 115.43 2yu6 s ARG 9 Ca 0.45 -1.77 0.01 0.00 -0.52 0.00 0.00 55.73 53.89 2yu6 s ARG 9 Cb -0.21 -2.44 0.02 0.00 0.52 0.00 0.00 34.95 32.84 2yu6 s ARG 9 CO 0.25 -0.75 -0.05 0.71 0.02 0.00 0.00 175.30 175.48 2yu6 s TYR 10 N -2.70 0.87 0.01 -0.53 1.51 -1.24 -1.37 117.35 113.90 2yu6 s TYR 10 Ca 0.51 -0.27 0.05 0.00 -1.01 0.00 0.00 57.07 56.35 2yu6 s TYR 10 Cb -0.04 -0.75 -0.01 0.00 -0.11 0.00 0.00 41.96 41.04 2yu6 s TYR 10 CO 0.32 -0.22 -0.15 -0.06 -1.11 0.00 0.00 175.55 174.33 2yu6 s PHE 11 N 0.96 1.31 -0.31 2.71 0.40 -0.46 -0.41 117.98 122.19 2yu6 s PHE 11 Ca -0.10 -0.28 -0.12 0.00 -0.60 0.00 0.00 56.93 55.82 2yu6 s PHE 11 Cb -0.14 -0.82 -0.03 0.00 0.51 0.00 0.00 43.02 42.53 2yu6 s PHE 11 CO 0.00 0.00 0.24 0.42 0.70 0.00 0.00 175.22 176.58 2yu6 s ILE 12 N -0.50 5.28 -0.26 0.64 -1.09 -1.12 -1.08 121.20 123.08 2yu6 s ILE 12 Ca 0.05 0.03 -0.03 0.00 -2.23 0.00 0.00 60.65 58.46 2yu6 s ILE 12 Cb -0.06 -3.64 0.01 0.00 -1.58 0.00 0.00 42.46 37.19 2yu6 s ILE 12 CO 0.00 0.11 -0.02 -0.04 -1.23 0.00 0.00 174.94 173.76 2yu6 s MET 13 N 1.79 3.01 0.18 2.79 -1.94 -0.66 -1.49 119.30 122.96 2yu6 s MET 13 Ca 0.08 -0.88 -0.10 0.00 -1.71 0.00 0.00 55.69 53.07 2yu6 s MET 13 Cb -0.17 -3.10 -0.07 0.00 2.01 0.00 0.00 34.83 33.51 2yu6 s MET 13 CO 0.11 -0.38 0.50 0.15 -0.01 0.00 0.00 175.02 175.40 2yu6 s LYS 14 N 1.40 3.81 -0.05 2.03 -0.14 -1.26 -1.87 119.74 123.66 2yu6 s LYS 14 Ca 0.02 0.26 0.04 0.00 -1.36 0.00 0.00 55.97 54.92 2yu6 s LYS 14 Cb -0.16 -2.79 0.00 0.00 -1.68 0.00 0.00 37.83 33.19 2yu6 s LYS 14 CO -0.02 0.41 -0.15 -1.12 -0.76 0.00 0.00 175.35 173.71 2yu6 s SER 15 N -2.13 1.99 0.12 2.83 0.01 -1.04 -4.94 113.70 110.54 2yu6 s SER 15 Ca 0.42 -0.33 -0.25 0.00 1.31 0.00 0.00 55.95 57.11 2yu6 s SER 15 Cb -0.13 -0.66 -0.06 0.00 0.21 0.00 0.00 66.02 65.38 2yu6 s SER 15 CO 0.21 0.11 1.66 0.28 0.41 0.00 0.00 173.24 175.91 2yu6 h SER 16 N 6.46 -0.54 -1.49 2.44 0.02 -1.97 -1.87 113.55 116.59 2yu6 h SER 16 Ca -0.32 0.08 -0.64 0.00 -0.84 0.00 0.00 61.79 60.07 2yu6 h SER 16 Cb 1.18 0.22 -0.13 0.00 0.14 0.00 0.00 62.40 63.81 2yu6 h SER 16 CO 0.48 -0.25 -0.50 0.20 -1.14 0.00 0.00 176.83 175.62 2yu6 s ASN 17 N -4.95 3.61 -0.14 3.07 0.01 -1.26 -4.48 114.94 110.80 2yu6 s ASN 17 Ca -0.15 -1.72 -0.19 0.00 -0.71 0.00 0.00 52.86 50.09 2yu6 s ASN 17 Cb 0.09 0.64 -0.25 0.00 0.41 0.00 0.00 41.25 42.14 2yu6 s ASN 17 CO 0.66 -0.95 0.48 0.25 -1.51 0.00 0.00 177.10 176.03 2yu6 h LEU 18 N 1.48 0.21 -0.85 0.60 7.12 -2.00 -3.38 115.31 118.49 2yu6 h LEU 18 Ca -0.39 -0.78 0.16 0.00 0.13 0.00 0.00 57.88 57.00 2yu6 h LEU 18 Cb 1.30 -0.07 -0.16 0.00 -0.53 0.00 0.00 40.66 41.21 2yu6 h LEU 18 CO 0.65 1.49 -0.27 -0.09 -0.13 0.00 0.00 178.44 180.09 2yu6 h ARG 19 N -0.61 -0.02 -1.03 1.25 9.65 -2.00 0.99 114.38 122.61 2yu6 h ARG 19 Ca -0.27 0.00 0.27 0.00 -1.10 0.00 0.00 59.98 58.88 2yu6 h ARG 19 Cb 1.51 0.01 -0.07 0.00 -1.39 0.00 0.00 29.97 30.03 2yu6 h ARG 19 CO -0.03 -0.02 0.69 -0.91 2.80 0.00 0.00 179.97 182.51 2yu6 h ASN 20 N -0.03 0.27 0.13 -3.80 2.35 -2.00 0.43 115.58 112.94 2yu6 h ASN 20 Ca 0.37 0.05 -0.16 0.00 -0.55 0.00 0.00 56.30 56.01 2yu6 h ASN 20 Cb 0.61 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.98 2yu6 h ASN 20 CO -0.88 0.07 -0.59 0.25 -1.65 0.00 0.00 177.43 174.63 2yu6 h LEU 21 N 0.25 0.52 -1.47 1.61 5.85 0.84 -3.07 115.31 119.83 2yu6 h LEU 21 Ca 0.54 -0.29 0.14 0.00 0.84 0.00 0.00 57.88 59.12 2yu6 h LEU 21 Cb 1.65 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 42.47 2yu6 h LEU 21 CO -0.17 0.99 0.53 -0.33 -0.34 0.00 0.00 178.44 179.11 2yu6 h GLU 22 N 0.35 0.51 -0.22 1.25 4.39 0.33 0.11 114.58 121.29 2yu6 h GLU 22 Ca -0.00 -0.03 0.06 0.00 0.34 0.00 0.00 59.36 59.73 2yu6 h GLU 22 Cb 1.12 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.65 2yu6 h GLU 22 CO 0.10 0.34 0.16 0.82 -1.16 0.00 0.00 179.01 179.27 2yu6 h ILE 23 N 0.52 0.89 0.00 3.13 5.03 -1.44 0.11 117.51 125.75 2yu6 h ILE 23 Ca 0.39 -0.00 -0.02 0.00 -0.12 0.00 0.00 64.86 65.11 2yu6 h ILE 23 Cb 0.78 0.88 -0.00 0.00 -3.03 0.00 0.00 36.82 35.45 2yu6 h ILE 23 CO -0.15 0.00 -0.44 -1.28 -0.68 0.00 0.00 178.15 175.61 2yu6 h SER 24 N 0.01 0.00 0.79 1.72 0.87 -0.78 -0.35 113.55 115.81 2yu6 h SER 24 Ca 0.11 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.44 2yu6 h SER 24 Cb 0.41 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.34 2yu6 h SER 24 CO -0.00 0.09 -1.31 1.56 -0.53 0.00 0.00 176.83 176.64 2yu6 h GLN 25 N 0.00 0.00 0.00 2.24 4.20 -0.64 -2.65 115.11 118.26 2yu6 h GLN 25 Ca -0.01 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.56 2yu6 h GLN 25 Cb 1.08 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.84 2yu6 h GLN 25 CO 0.01 0.64 -1.31 1.04 -0.67 0.00 0.00 178.83 178.55 2yu6 n GLN 26 N -3.15 0.53 0.13 1.46 1.13 -0.01 -4.52 117.38 112.96 2yu6 n GLN 26 Ca -0.08 0.32 -0.01 0.00 -1.94 0.00 0.00 57.00 55.29 2yu6 n GLN 26 Cb 0.96 -1.53 0.21 0.00 0.11 0.00 0.00 30.24 29.98 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 0.07 0.00 -1.09 1.79 -1.26 -3.47 116.57 111.60 2yu6 h LYS 27 Ca -0.21 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.22 2yu6 h LYS 27 Cb 1.08 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.74 2yu6 h LYS 27 CO -0.13 0.59 0.00 0.41 -1.08 0.00 0.00 179.45 179.25 2yu6 n GLY 28 N 0.05 0.47 3.20 3.86 0.00 -1.00 -5.00 105.19 106.77 2yu6 n GLY 28 Ca -0.02 -0.93 -0.14 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.00 0.98 0.07 -0.61 -5.25 -1.25 -1.09 121.20 112.05 2yu6 s ILE 29 Ca 0.00 -1.83 0.05 0.00 -0.99 0.00 0.00 60.65 57.88 2yu6 s ILE 29 Cb 0.00 -1.57 -0.03 0.00 2.95 0.00 0.00 42.46 43.81 2yu6 s ILE 29 CO 0.00 -0.67 -0.14 0.86 -1.79 0.00 0.00 174.94 173.20 2yu6 s TRP 30 N -2.91 1.21 -0.20 1.37 -0.00 0.95 -3.33 118.94 116.02 2yu6 s TRP 30 Ca 0.10 -0.45 0.00 0.00 -0.00 0.00 0.00 56.10 55.76 2yu6 s TRP 30 Cb 0.00 -0.68 0.05 0.00 -0.00 0.00 0.00 33.47 32.84 2yu6 s TRP 30 CO -0.01 0.05 -0.07 -1.12 -0.00 0.00 0.00 176.95 175.80 2yu6 s SER 31 N -1.66 3.40 0.41 5.86 0.01 -1.26 -2.44 113.70 118.02 2yu6 s SER 31 Ca -0.02 -0.92 0.06 0.00 1.31 0.00 0.00 55.95 56.38 2yu6 s SER 31 Cb -0.10 -1.13 -0.07 0.00 0.21 0.00 0.00 66.02 64.93 2yu6 s SER 31 CO 0.02 -0.18 0.02 0.28 0.41 0.00 0.00 173.24 173.78 2yu6 s THR 32 N 1.46 1.81 0.40 1.44 -1.32 -1.26 -4.93 115.64 113.24 2yu6 s THR 32 Ca -0.02 -2.00 -0.27 0.00 -1.21 0.00 0.00 61.69 58.19 2yu6 s THR 32 Cb -0.17 -2.88 -0.10 0.00 -1.51 0.00 0.00 72.50 67.84 2yu6 s THR 32 CO -0.07 0.00 1.39 1.07 -2.21 0.00 0.00 174.62 174.79 2yu6 n THR 33 N -0.97 2.30 0.98 5.08 5.66 -1.26 -4.19 114.28 121.88 2yu6 n THR 33 Ca -0.06 -0.50 0.06 0.00 -3.05 0.00 0.00 64.05 60.50 2yu6 n THR 33 Cb 0.67 -1.78 0.36 0.00 -1.55 0.00 0.00 70.33 68.03 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 0.23 0.49 0.02 1.09 -0.04 -1.26 -2.07 135.00 133.47 2yu6 n PRO 34 Ca 0.04 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.61 2yu6 n PRO 34 Cb 0.39 -1.39 0.08 0.00 -0.04 0.00 0.00 33.50 32.55 2yu6 n PRO 34 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2yu6 n SER 35 N -0.89 0.63 -0.20 3.54 2.88 -1.26 -4.05 113.62 114.27 2yu6 n SER 35 Ca 0.09 -0.25 0.08 0.00 -1.33 0.00 0.00 58.87 57.45 2yu6 n SER 35 Cb 0.04 0.60 0.11 0.00 -0.75 0.00 0.00 64.21 64.22 2yu6 n SER 35 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2yu6 n ASN 36 N -1.83 1.82 -0.07 -3.46 3.02 -0.88 -4.75 115.26 109.12 2yu6 n ASN 36 Ca 0.03 -2.88 -0.22 0.00 -0.03 0.00 0.00 54.58 51.48 2yu6 n ASN 36 Cb 0.40 -0.38 -0.12 0.00 -0.61 0.00 0.00 39.78 39.06 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 0.05 0.09 -0.90 3.52 5.08 -1.70 -3.36 114.58 117.36 2yu6 h GLU 37 Ca -0.00 -0.15 0.32 0.00 -1.00 0.00 0.00 59.36 58.52 2yu6 h GLU 37 Cb 1.09 0.06 -0.16 0.00 0.50 0.00 0.00 28.75 30.24 2yu6 h GLU 37 CO 0.00 1.07 0.26 2.89 -1.00 0.00 0.00 179.01 182.24 2yu6 n ARG 38 N -4.15 -0.06 0.00 2.33 -4.01 -1.26 -0.66 116.66 108.85 2yu6 n ARG 38 Ca -0.31 1.29 0.00 0.00 -1.04 0.00 0.00 57.85 57.79 2yu6 n ARG 38 Cb 0.79 -2.19 0.00 0.00 -3.04 0.00 0.00 32.46 28.02 2yu6 n ARG 38 CO 0.00 0.00 0.00 0.36 -3.04 0.00 0.00 177.63 174.95 2yu6 n LYS 39 N -5.17 0.00 -0.35 2.89 2.85 -1.26 -1.08 118.16 116.04 2yu6 n LYS 39 Ca 0.28 0.39 0.34 0.00 -1.05 0.00 0.00 58.31 58.27 2yu6 n LYS 39 Cb 0.94 -1.29 0.61 0.00 -0.65 0.00 0.00 35.03 34.64 2yu6 n LYS 39 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2yu6 n LEU 40 N -1.68 0.32 0.04 -5.58 4.77 -0.59 0.25 117.00 114.53 2yu6 n LEU 40 Ca 0.00 1.59 -0.02 0.00 -0.03 0.00 0.00 56.01 57.55 2yu6 n LEU 40 Cb 0.00 -0.78 -0.01 0.00 -2.33 0.00 0.00 43.42 40.31 2yu6 n LEU 40 CO 0.00 -1.77 0.34 0.78 -1.33 0.00 0.00 177.39 175.41 2yu6 h ASN 41 N 0.00 -0.08 0.07 -1.43 4.21 -0.85 -2.40 115.58 115.09 2yu6 h ASN 41 Ca 0.85 0.00 0.02 0.00 1.21 0.00 0.00 56.30 58.39 2yu6 h ASN 41 Cb 2.37 0.02 -0.05 0.00 -1.12 0.00 0.00 38.32 39.54 2yu6 h ASN 41 CO -0.70 -0.04 -0.44 -0.09 -1.29 0.00 0.00 177.43 174.87 2yu6 h ARG 42 N -0.14 -0.61 -0.95 0.81 9.65 0.17 -1.52 114.38 121.80 2yu6 h ARG 42 Ca -0.01 0.04 0.29 0.00 -1.10 0.00 0.00 59.98 59.20 2yu6 h ARG 42 Cb 0.08 0.14 -0.16 0.00 -1.39 0.00 0.00 29.97 28.64 2yu6 h ARG 42 CO 0.02 -0.41 0.33 0.00 2.80 0.00 0.00 179.97 182.71 2yu6 h ALA 43 N -0.17 1.57 -0.98 2.80 0.00 -0.33 0.80 119.26 122.94 2yu6 h ALA 43 Ca 0.03 0.24 0.21 0.00 0.00 0.00 0.00 54.91 55.39 2yu6 h ALA 43 Cb 0.68 0.32 -0.09 0.00 0.00 0.00 0.00 17.79 18.70 2yu6 h ALA 43 CO -0.28 -0.58 0.62 0.35 0.00 0.00 0.00 179.25 179.35 2yu6 h PHE 44 N 0.18 0.86 0.10 0.00 3.57 -0.73 1.21 116.94 122.12 2yu6 h PHE 44 Ca 0.65 0.03 -0.31 0.00 3.53 0.00 0.00 57.97 61.87 2yu6 h PHE 44 Cb 1.44 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.91 2yu6 h PHE 44 CO -0.20 0.18 -1.65 -1.49 -2.23 0.00 0.00 178.31 172.92 2yu6 h TRP 45 N 0.60 0.37 0.00 0.41 6.55 0.48 -3.34 115.95 121.01 2yu6 h TRP 45 Ca 0.55 -0.27 0.00 0.00 0.95 0.00 0.00 58.89 60.13 2yu6 h TRP 45 Cb 1.08 -0.01 0.00 0.00 -0.86 0.00 0.00 29.16 29.37 2yu6 h TRP 45 CO -0.00 1.65 0.00 0.93 -1.05 0.00 0.00 178.44 179.97 2yu6 h GLU 46 N -0.29 0.00 -5.22 0.49 4.39 -0.03 -3.44 114.58 110.48 2yu6 h GLU 46 Ca -0.37 0.00 -0.42 0.00 0.34 0.00 0.00 59.36 58.91 2yu6 h GLU 46 Cb 1.79 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 30.29 2yu6 h GLU 46 CO 0.01 0.00 -0.66 -1.12 -1.16 0.00 0.00 179.01 176.08 2yu6 s SER 47 N -4.59 2.15 0.00 1.42 0.01 0.41 -4.72 113.70 108.39 2yu6 s SER 47 Ca 0.02 -1.21 -0.22 0.00 1.31 0.00 0.00 55.95 55.85 2yu6 s SER 47 Cb 0.09 -0.05 -0.19 0.00 0.21 0.00 0.00 66.02 66.08 2yu6 s SER 47 CO 0.39 -0.46 1.20 -1.28 0.41 0.00 0.00 173.24 173.50 2yu6 h SER 48 N 2.40 0.35 -5.30 2.44 0.87 -1.80 -3.42 113.55 109.08 2yu6 h SER 48 Ca -0.39 -0.62 -0.28 0.00 -1.23 0.00 0.00 61.79 59.28 2yu6 h SER 48 Cb 1.23 -0.10 -0.15 0.00 -0.44 0.00 0.00 62.40 62.94 2yu6 h SER 48 CO 0.66 0.90 -0.61 -0.63 -0.53 0.00 0.00 176.83 176.62 2yu6 s ILE 49 N -3.76 0.15 -0.23 2.23 1.01 -1.26 -5.00 121.20 114.34 2yu6 s ILE 49 Ca -0.15 -2.00 -0.04 0.00 0.00 0.00 0.00 60.65 58.47 2yu6 s ILE 49 Cb 0.03 -2.54 0.08 0.00 0.01 0.00 0.00 42.46 40.05 2yu6 s ILE 49 CO 0.76 0.00 0.09 -0.69 0.00 0.00 0.00 174.94 175.10 2yu6 s VAL 50 N -4.03 0.19 -0.03 2.92 1.01 -1.26 -3.48 120.40 115.72 2yu6 s VAL 50 Ca 0.39 -0.62 -0.28 0.00 0.00 0.00 0.00 61.98 61.47 2yu6 s VAL 50 Cb 0.07 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.46 2yu6 s VAL 50 CO 0.13 -0.47 0.89 -0.31 0.00 0.00 0.00 175.10 175.34 2yu6 s TYR 51 N 1.99 3.63 -0.28 5.22 2.02 -0.47 -0.05 117.35 129.41 2yu6 s TYR 51 Ca 0.05 1.56 0.00 0.00 -0.37 0.00 0.00 57.07 58.31 2yu6 s TYR 51 Cb -0.16 -3.03 0.08 0.00 -0.40 0.00 0.00 41.96 38.45 2yu6 s TYR 51 CO -0.20 0.01 0.03 -0.51 -1.57 0.00 0.00 175.55 173.31 2yu6 s LEU 52 N 0.99 2.69 -0.42 -1.29 1.43 -0.35 -1.35 118.68 120.38 2yu6 s LEU 52 Ca 0.47 -1.49 -0.26 0.00 -1.03 0.00 0.00 54.13 51.82 2yu6 s LEU 52 Cb -0.20 -1.08 0.02 0.00 0.03 0.00 0.00 46.19 44.97 2yu6 s LEU 52 CO 0.25 -0.34 0.97 -0.69 0.23 0.00 0.00 176.35 176.77 2yu6 s VAL 53 N 1.44 4.46 0.04 -1.59 1.01 -0.24 -0.28 120.40 125.25 2yu6 s VAL 53 Ca 0.04 1.05 -0.17 0.00 0.00 0.00 0.00 61.98 62.90 2yu6 s VAL 53 Cb -0.18 -4.43 -0.06 0.00 0.00 0.00 0.00 36.38 31.71 2yu6 s VAL 53 CO -0.14 -0.74 0.50 -0.36 0.00 0.00 0.00 175.10 174.36 2yu6 s PHE 54 N 3.78 3.77 -0.22 5.22 0.40 0.30 -1.66 117.98 129.59 2yu6 s PHE 54 Ca 0.40 1.16 -0.09 0.00 -0.60 0.00 0.00 56.93 57.80 2yu6 s PHE 54 Cb -0.10 -2.41 0.09 0.00 0.51 0.00 0.00 43.02 41.11 2yu6 s PHE 54 CO 0.24 0.61 0.48 0.45 0.70 0.00 0.00 175.22 177.70 2yu6 s SER 55 N -1.07 -0.52 0.23 1.36 0.15 -0.78 -2.46 113.70 110.61 2yu6 s SER 55 Ca 0.27 1.12 -0.30 0.00 0.70 0.00 0.00 55.95 57.74 2yu6 s SER 55 Cb -0.18 1.42 -0.09 0.00 -1.71 0.00 0.00 66.02 65.46 2yu6 s SER 55 CO 0.17 -0.22 1.12 -0.69 1.20 0.00 0.00 173.24 174.81 2yu6 s VAL 56 N 2.36 3.62 0.17 4.45 1.01 -1.26 -2.51 120.40 128.24 2yu6 s VAL 56 Ca -0.05 1.50 -0.15 0.00 0.00 0.00 0.00 61.98 63.28 2yu6 s VAL 56 Cb -0.11 -3.95 0.07 0.00 0.00 0.00 0.00 36.38 32.39 2yu6 s VAL 56 CO -0.14 0.30 1.71 1.56 0.00 0.00 0.00 175.10 178.53 2yu6 h GLN 57 N 4.52 0.15 0.00 2.72 7.50 -1.56 -3.34 115.11 125.10 2yu6 h GLN 57 Ca -0.45 -0.01 0.00 0.00 0.50 0.00 0.00 58.65 58.69 2yu6 h GLN 57 Cb 1.21 -0.03 0.00 0.00 0.05 0.00 0.00 27.48 28.71 2yu6 h GLN 57 CO 0.70 0.10 0.00 0.41 -1.50 0.00 0.00 178.83 178.54 2yu6 n GLY 58 N -1.26 -1.45 2.33 3.46 0.00 -1.26 -4.73 105.19 102.27 2yu6 n GLY 58 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 2yu6 n GLY 58 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yu6 n SER 59 N 0.00 -2.74 -2.03 1.61 2.88 -1.26 -4.83 113.62 107.26 2yu6 n SER 59 Ca 0.00 0.45 -0.14 0.00 -1.33 0.00 0.00 58.87 57.85 2yu6 n SER 59 Cb 0.00 -0.61 0.24 0.00 -0.75 0.00 0.00 64.21 63.09 2yu6 n SER 59 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yu6 n GLY 60 N 1.84 4.19 3.33 0.46 0.00 -1.26 -4.78 105.19 108.97 2yu6 n GLY 60 Ca 0.05 -1.07 -0.17 0.00 0.00 0.00 0.00 46.02 44.84 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 -3.17 1.57 -0.39 1.61 3.76 -1.26 -3.88 115.29 113.53 2yu6 s HIS 61 Ca 0.55 -0.82 -0.27 0.00 -0.15 0.00 0.00 55.06 54.37 2yu6 s HIS 61 Cb 0.46 -0.87 0.02 0.00 1.11 0.00 0.00 32.58 33.29 2yu6 s HIS 61 CO 0.11 0.07 1.01 -0.06 -0.85 0.00 0.00 174.74 175.02 2yu6 s PHE 62 N -3.30 3.02 -0.75 1.40 0.08 -0.27 -4.53 117.98 113.63 2yu6 s PHE 62 Ca 0.26 0.83 0.10 0.00 0.12 0.00 0.00 56.93 58.23 2yu6 s PHE 62 Cb 0.04 -3.87 0.49 0.00 -0.57 0.00 0.00 43.02 39.10 2yu6 s PHE 62 CO 0.07 -0.94 1.31 1.04 -0.10 0.00 0.00 175.22 176.60 2yu6 n GLN 63 N 7.09 0.05 0.00 0.44 3.00 -1.07 -3.25 117.38 123.65 2yu6 n GLN 63 Ca 0.09 0.48 0.00 0.00 -0.01 0.00 0.00 57.00 57.57 2yu6 n GLN 63 Cb 0.48 -1.65 0.00 0.00 0.00 0.00 0.00 30.24 29.07 2yu6 n GLN 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2yu6 n GLY 64 N -1.06 0.28 3.29 1.08 0.00 -1.03 -4.69 105.19 103.07 2yu6 n GLY 64 Ca 0.00 -2.30 -0.15 0.00 0.00 0.00 0.00 46.02 43.57 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 -0.74 1.43 -0.18 1.61 -0.71 -1.26 0.11 117.98 118.25 2yu6 s PHE 65 Ca 0.00 -1.17 -0.12 0.00 -1.04 0.00 0.00 56.93 54.60 2yu6 s PHE 65 Cb 0.00 -0.82 0.06 0.00 -1.21 0.00 0.00 43.02 41.04 2yu6 s PHE 65 CO 0.00 -0.34 0.46 -1.12 -1.34 0.00 0.00 175.22 172.88 2yu6 s SER 66 N -3.27 -0.56 -0.16 1.98 0.01 0.62 -3.45 113.70 108.88 2yu6 s SER 66 Ca 0.35 0.98 -0.23 0.00 1.31 0.00 0.00 55.95 58.36 2yu6 s SER 66 Cb 0.07 0.91 -0.02 0.00 0.21 0.00 0.00 66.02 67.19 2yu6 s SER 66 CO 0.11 -0.19 0.73 0.00 0.41 0.00 0.00 173.24 174.30 2yu6 s ARG 67 N 1.02 4.29 0.15 12.44 1.70 0.43 -1.21 118.95 137.77 2yu6 s ARG 67 Ca -0.06 0.84 -0.34 0.00 -0.47 0.00 0.00 55.73 55.69 2yu6 s ARG 67 Cb -0.06 -3.55 -0.15 0.00 -0.57 0.00 0.00 34.95 30.62 2yu6 s ARG 67 CO -0.09 -0.22 1.42 -0.12 -1.08 0.00 0.00 175.30 175.22 2yu6 n MET 68 N 4.87 1.66 -0.02 3.89 0.00 0.92 -0.60 117.12 127.84 2yu6 n MET 68 Ca 0.01 0.60 -0.00 0.00 -0.00 0.00 0.00 57.70 58.31 2yu6 n MET 68 Cb 0.50 -2.27 -0.07 0.00 0.00 0.00 0.00 33.22 31.38 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 2.75 2.94 -4.17 6.12 2.88 -1.22 -4.46 113.62 118.45 2yu6 n SER 69 Ca 0.16 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.60 2yu6 n SER 69 Cb 0.25 1.04 -0.10 0.00 -0.75 0.00 0.00 64.21 64.65 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 -3.56 1.10 0.81 -3.46 0.15 -1.25 -5.01 113.70 102.48 2yu6 s SER 70 Ca -0.04 -1.02 -0.12 0.00 0.70 0.00 0.00 55.95 55.47 2yu6 s SER 70 Cb 0.04 0.11 0.08 0.00 -1.71 0.00 0.00 66.02 64.53 2yu6 s SER 70 CO 0.36 -0.48 1.16 -1.83 1.20 0.00 0.00 173.24 173.64 2yu6 s GLU 71 N -3.85 1.98 0.16 5.44 4.04 -1.26 -4.32 118.70 120.88 2yu6 s GLU 71 Ca 0.13 0.20 -0.11 0.00 0.04 0.00 0.00 54.97 55.23 2yu6 s GLU 71 Cb 0.05 -1.94 -0.07 0.00 0.02 0.00 0.00 34.13 32.19 2yu6 s GLU 71 CO -0.04 -1.60 0.51 0.42 -1.84 0.00 0.00 175.26 172.70 2yu6 s ILE 72 N -3.49 4.95 0.00 1.83 1.01 -1.26 -4.57 121.20 119.67 2yu6 s ILE 72 Ca 0.62 0.59 0.00 0.00 0.00 0.00 0.00 60.65 61.85 2yu6 s ILE 72 Cb -0.12 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.68 2yu6 s ILE 72 CO 0.50 0.14 0.00 0.61 0.00 0.00 0.00 174.94 176.20 2yu6 n GLY 73 N 0.49 1.57 0.26 6.18 0.00 -1.17 -4.85 105.19 107.67 2yu6 n GLY 73 Ca -0.04 -0.73 0.06 0.00 0.00 0.00 0.00 46.02 45.31 2yu6 n GLY 73 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2yu6 n ARG 74 N 0.00 -0.06 -1.86 1.61 3.00 -1.26 -4.27 116.66 113.82 2yu6 n ARG 74 Ca 0.00 1.11 -0.41 0.00 -0.00 0.00 0.00 57.85 58.54 2yu6 n ARG 74 Cb 0.00 -1.69 -0.02 0.00 0.00 0.00 0.00 32.46 30.75 2yu6 n ARG 74 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2yu6 s GLU 75 N -5.81 4.17 -0.03 -0.14 0.41 -1.25 -5.01 118.70 111.03 2yu6 s GLU 75 Ca -0.10 2.48 -0.13 0.00 -0.41 0.00 0.00 54.97 56.81 2yu6 s GLU 75 Cb 0.20 -3.06 0.02 0.00 -1.78 0.00 0.00 34.13 29.51 2yu6 s GLU 75 CO 0.56 -0.57 0.30 0.15 -0.49 0.00 0.00 175.26 175.21 2yu6 s LYS 76 N -0.32 0.59 0.39 1.61 -0.14 -1.26 -3.02 119.74 117.59 2yu6 s LYS 76 Ca 0.63 -0.08 0.06 0.00 -1.36 0.00 0.00 55.97 55.22 2yu6 s LYS 76 Cb -0.46 0.26 -0.02 0.00 -1.68 0.00 0.00 37.83 35.93 2yu6 s LYS 76 CO 0.45 -0.15 0.21 0.45 -0.76 0.00 0.00 175.35 175.55 2yu6 s SER 77 N -1.02 2.41 0.00 2.83 0.15 -1.26 -5.05 113.70 111.76 2yu6 s SER 77 Ca -0.11 -1.75 0.00 0.00 0.70 0.00 0.00 55.95 54.79 2yu6 s SER 77 Cb -0.05 0.59 0.00 0.00 -1.71 0.00 0.00 66.02 64.85 2yu6 s SER 77 CO 0.03 -1.03 0.00 0.00 1.20 0.00 0.00 173.24 173.45 2yu6 n GLN 78 N -0.82 0.00 -2.21 5.44 10.64 -1.26 -5.03 117.38 124.15 2yu6 n GLN 78 Ca -0.00 0.00 -0.42 0.00 -1.83 0.00 0.00 57.00 54.75 2yu6 n GLN 78 Cb 0.63 -0.65 -0.03 0.00 -0.86 0.00 0.00 30.24 29.34 2yu6 n GLN 78 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2yu6 s ASP 79 N -4.62 6.86 -0.29 2.61 1.11 -1.26 -4.99 116.67 116.09 2yu6 s ASP 79 Ca 0.00 2.25 -0.23 0.00 0.18 0.00 0.00 52.55 54.76 2yu6 s ASP 79 Cb 0.00 -2.58 0.15 0.00 1.07 0.00 0.00 42.92 41.56 2yu6 s ASP 79 CO 0.00 -0.65 1.12 0.26 1.18 0.00 0.00 175.17 177.08 2yu6 s TRP 80 N 1.37 -0.39 0.18 4.23 0.23 -1.26 -5.04 118.94 118.26 2yu6 s TRP 80 Ca 0.64 0.89 -0.09 0.00 -2.03 0.00 0.00 56.10 55.51 2yu6 s TRP 80 Cb -0.35 0.37 0.06 0.00 0.03 0.00 0.00 33.47 33.57 2yu6 s TRP 80 CO 0.29 -0.19 1.60 0.78 0.96 0.00 0.00 176.95 180.40 2yu6 h GLY 81 N 4.44 1.11 -6.48 0.98 0.00 -1.94 -3.42 103.07 97.76 2yu6 h GLY 81 Ca -0.28 -0.89 -0.65 0.00 0.00 0.00 0.00 47.33 45.51 2yu6 h GLY 81 CO 0.15 0.82 -0.69 -0.56 0.00 0.00 0.00 176.54 176.26 2yu6 s SER 82 N -6.66 4.59 0.34 0.19 0.01 -1.26 -4.99 113.70 105.92 2yu6 s SER 82 Ca -0.11 -0.27 0.11 0.00 1.31 0.00 0.00 55.95 56.99 2yu6 s SER 82 Cb 0.13 -1.77 0.60 0.00 0.21 0.00 0.00 66.02 65.18 2yu6 s SER 82 CO 0.86 0.06 1.76 0.00 0.41 0.00 0.00 173.24 176.33 2yu6 h ALA 83 N 7.54 1.25 -0.19 1.44 0.00 -2.01 -3.36 119.26 123.94 2yu6 h ALA 83 Ca -0.36 -0.40 -0.60 0.00 0.00 0.00 0.00 54.91 53.54 2yu6 h ALA 83 Cb 1.18 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 2yu6 h ALA 83 CO 0.60 0.56 2.22 0.41 0.00 0.00 0.00 179.25 183.04 2yu6 n GLY 84 N -0.26 2.65 3.29 0.00 0.00 -1.26 -4.84 105.19 104.77 2yu6 n GLY 84 Ca -0.02 -1.24 -0.19 0.00 0.00 0.00 0.00 46.02 44.57 2yu6 n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2yu6 s LEU 85 N 3.74 1.70 -0.28 0.99 1.43 -1.26 -4.92 118.68 120.08 2yu6 s LEU 85 Ca 0.57 -1.71 -0.27 0.00 -1.03 0.00 0.00 54.13 51.69 2yu6 s LEU 85 Cb 0.10 0.49 0.18 0.00 0.03 0.00 0.00 46.19 46.99 2yu6 s LEU 85 CO 0.07 -1.03 1.33 -0.83 0.23 0.00 0.00 176.35 176.12 2yu6 s GLY 86 N -3.36 0.13 -0.18 -3.19 0.00 -1.26 -5.03 107.32 94.43 2yu6 s GLY 86 Ca 0.39 2.99 -0.11 0.00 0.00 0.00 0.00 44.72 48.00 2yu6 s GLY 86 CO 0.25 1.46 0.22 0.61 0.00 0.00 0.00 173.10 175.64 2yu6 n GLY 87 N 1.07 -5.07 3.89 0.20 0.00 -1.26 -4.45 105.19 99.56 2yu6 n GLY 87 Ca -0.06 1.58 -0.31 0.00 0.00 0.00 0.00 46.02 47.23 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 -0.68 5.21 0.04 1.61 1.01 -1.17 -4.40 120.40 122.03 2yu6 s VAL 88 Ca -0.25 -0.47 -0.10 0.00 0.00 0.00 0.00 61.98 61.16 2yu6 s VAL 88 Cb 0.02 -3.54 0.01 0.00 0.00 0.00 0.00 36.38 32.86 2yu6 s VAL 88 CO 0.74 0.13 0.21 0.72 0.00 0.00 0.00 175.10 176.90 2yu6 s PHE 89 N -1.49 0.03 0.66 5.22 -0.71 -1.02 -3.03 117.98 117.65 2yu6 s PHE 89 Ca 0.34 -0.25 -0.11 0.00 -1.04 0.00 0.00 56.93 55.87 2yu6 s PHE 89 Cb -0.13 -0.01 -0.02 0.00 -1.21 0.00 0.00 43.02 41.66 2yu6 s PHE 89 CO 0.27 -0.44 1.05 0.15 -1.34 0.00 0.00 175.22 174.90 2yu6 s LYS 90 N -2.60 3.26 -0.15 1.99 1.02 -1.26 -0.04 119.74 121.95 2yu6 s LYS 90 Ca -0.05 0.76 -0.10 0.00 0.02 0.00 0.00 55.97 56.60 2yu6 s LYS 90 Cb -0.01 -2.04 0.05 0.00 -0.52 0.00 0.00 37.83 35.31 2yu6 s LYS 90 CO -0.04 -0.82 0.38 0.14 -0.92 0.00 0.00 175.35 174.09 2yu6 s VAL 91 N -3.17 -0.02 -0.29 3.17 -7.23 -0.25 -3.45 120.40 109.16 2yu6 s VAL 91 Ca 0.56 0.07 -0.20 0.00 -1.81 0.00 0.00 61.98 60.60 2yu6 s VAL 91 Cb -0.12 -0.55 -0.01 0.00 0.56 0.00 0.00 36.38 36.26 2yu6 s VAL 91 CO 0.54 0.03 0.63 -0.70 -0.31 0.00 0.00 175.10 175.28 2yu6 s GLU 92 N 0.97 3.97 -0.19 4.82 2.56 0.24 -4.75 118.70 126.31 2yu6 s GLU 92 Ca -0.06 0.37 -0.25 0.00 0.00 0.00 0.00 54.97 55.03 2yu6 s GLU 92 Cb -0.07 -3.70 -0.01 0.00 2.00 0.00 0.00 34.13 32.35 2yu6 s GLU 92 CO -0.08 -0.52 0.83 -1.58 -0.56 0.00 0.00 175.26 173.35 2yu6 s TRP 93 N 2.57 3.39 -0.13 5.30 0.52 -1.26 -0.43 118.94 128.91 2yu6 s TRP 93 Ca 0.25 1.22 -0.10 0.00 0.02 0.00 0.00 56.10 57.49 2yu6 s TRP 93 Cb -0.15 -3.02 -0.03 0.00 -1.15 0.00 0.00 33.47 29.11 2yu6 s TRP 93 CO 0.11 -0.28 -0.20 -0.89 0.02 0.00 0.00 176.95 175.71 2yu6 n ILE 94 N 4.87 1.18 -4.72 2.03 -0.00 -1.22 -4.95 119.36 116.55 2yu6 n ILE 94 Ca 0.05 0.25 -0.33 0.00 -0.00 0.00 0.00 62.75 62.72 2yu6 n ILE 94 Cb 0.48 -2.21 -0.16 0.00 -0.00 0.00 0.00 39.64 37.75 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 -2.22 3.12 -0.26 0.38 1.81 -1.26 -4.99 118.95 115.52 2yu6 s ARG 95 Ca -0.16 -0.81 0.13 0.00 -1.72 0.00 0.00 55.73 53.16 2yu6 s ARG 95 Cb 0.02 -2.49 0.65 0.00 -0.45 0.00 0.00 34.95 32.68 2yu6 s ARG 95 CO 0.24 0.04 1.62 1.63 -0.68 0.00 0.00 175.30 178.16 2yu6 n LYS 96 N 3.94 3.36 -2.92 3.54 4.76 -1.26 -4.09 118.16 125.48 2yu6 n LYS 96 Ca -0.19 -3.03 -0.25 0.00 -2.87 0.00 0.00 58.31 51.96 2yu6 n LYS 96 Cb 0.52 -2.05 0.00 0.00 -1.84 0.00 0.00 35.03 31.67 2yu6 n LYS 96 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2yu6 s GLU 97 N -2.95 3.30 -0.48 1.97 2.56 -1.26 -4.99 118.70 116.85 2yu6 s GLU 97 Ca 0.49 -0.19 -0.14 0.00 0.00 0.00 0.00 54.97 55.13 2yu6 s GLU 97 Cb 0.40 -2.50 0.09 0.00 2.00 0.00 0.00 34.13 34.12 2yu6 s GLU 97 CO 0.10 -0.19 0.39 -1.12 -0.56 0.00 0.00 175.26 173.89 2yu6 s SER 98 N -4.15 6.06 -0.24 -1.70 0.01 -1.26 -4.32 113.70 108.10 2yu6 s SER 98 Ca 0.46 -1.47 -0.15 0.00 1.31 0.00 0.00 55.95 56.10 2yu6 s SER 98 Cb -0.10 -2.15 -0.04 0.00 0.21 0.00 0.00 66.02 63.94 2yu6 s SER 98 CO 0.40 -0.67 0.39 -0.22 0.41 0.00 0.00 173.24 173.55 2yu6 s LEU 99 N 1.59 4.08 0.51 2.44 2.96 -1.20 -4.90 118.68 124.16 2yu6 s LEU 99 Ca 0.04 0.38 -0.21 0.00 -0.22 0.00 0.00 54.13 54.12 2yu6 s LEU 99 Cb -0.25 -2.47 -0.06 0.00 0.50 0.00 0.00 46.19 43.91 2yu6 s LEU 99 CO 0.05 -0.15 1.14 -2.16 -1.32 0.00 0.00 176.35 173.91 2yu6 s PRO 100 N 1.79 3.50 0.59 0.98 0.04 -1.26 -1.11 135.00 139.53 2yu6 s PRO 100 Ca 0.17 1.66 0.32 0.00 0.04 0.00 0.00 61.00 63.19 2yu6 s PRO 100 Cb -0.15 -2.14 1.85 0.00 0.04 0.00 0.00 34.50 34.10 2yu6 s PRO 100 CO 0.09 -0.74 2.23 0.74 0.04 0.00 0.00 177.00 179.36 2yu6 h PHE 101 N 1.49 0.00 0.00 0.56 0.04 -1.95 -1.81 116.94 115.26 2yu6 h PHE 101 Ca -0.50 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.27 2yu6 h PHE 101 Cb 1.26 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.41 2yu6 h PHE 101 CO 0.52 0.03 0.24 -0.56 -0.60 0.00 0.00 178.31 177.94 2yu6 h GLN 102 N 0.00 0.00 0.09 1.51 3.07 -1.91 0.47 115.11 118.34 2yu6 h GLN 102 Ca -0.00 0.00 -0.19 0.00 0.09 0.00 0.00 58.65 58.55 2yu6 h GLN 102 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.66 2yu6 h GLN 102 CO 0.00 0.00 -0.93 0.74 0.09 0.00 0.00 178.83 178.74 2yu6 h PHE 103 N 0.00 0.36 -0.14 0.06 -1.00 -1.70 -3.32 116.94 111.20 2yu6 h PHE 103 Ca 0.00 -0.27 0.00 0.00 2.81 0.00 0.00 57.97 60.51 2yu6 h PHE 103 Cb 0.48 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.02 2yu6 h PHE 103 CO 0.00 1.36 0.00 0.00 -1.61 0.00 0.00 178.31 178.06 2yu6 n ALA 104 N -2.84 2.53 -0.21 2.45 0.00 -0.32 -4.17 120.51 117.96 2yu6 n ALA 104 Ca -0.19 -0.48 0.30 0.00 0.00 0.00 0.00 53.44 53.07 2yu6 n ALA 104 Cb 0.78 -1.12 0.73 0.00 0.00 0.00 0.00 19.45 19.84 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 2.02 0.00 0.00 0.00 6.17 -0.24 0.56 115.15 123.67 2yu6 h HIS 105 Ca 0.00 0.00 -0.18 0.00 0.71 0.00 0.00 60.37 60.90 2yu6 h HIS 105 Cb 0.44 -0.00 -0.03 0.00 2.52 0.00 0.00 27.41 30.34 2yu6 h HIS 105 CO 0.09 0.00 -1.10 1.12 0.71 0.00 0.00 177.93 178.75 2yu6 h HIS 106 N 0.00 0.00 -3.86 5.26 2.07 -1.85 -3.46 115.15 113.32 2yu6 h HIS 106 Ca 0.45 0.00 -0.49 0.00 -2.85 0.00 0.00 60.37 57.48 2yu6 h HIS 106 Cb 1.82 0.00 0.01 0.00 2.57 0.00 0.00 27.41 31.81 2yu6 h HIS 106 CO -0.00 0.72 0.42 -0.51 -3.07 0.00 0.00 177.93 175.49 2yu6 s LEU 107 N -6.25 4.41 0.00 6.12 1.43 0.20 -5.05 118.68 119.54 2yu6 s LEU 107 Ca -0.00 2.09 0.05 0.00 -1.03 0.00 0.00 54.13 55.23 2yu6 s LEU 107 Cb 0.09 -3.85 -0.02 0.00 0.03 0.00 0.00 46.19 42.43 2yu6 s LEU 107 CO 0.80 -0.19 0.17 0.18 0.23 0.00 0.00 176.35 177.53 2yu6 n LEU 108 N 0.75 0.00 -3.82 1.79 4.77 -1.26 -3.32 117.00 115.91 2yu6 n LEU 108 Ca 0.01 -1.99 -0.29 0.00 -0.03 0.00 0.00 56.01 53.71 2yu6 n LEU 108 Cb 0.47 1.02 -0.16 0.00 -2.33 0.00 0.00 43.42 42.42 2yu6 n LEU 108 CO 0.49 -0.33 -0.38 0.21 -1.33 0.00 0.00 177.39 176.05 2yu6 s ASN 109 N -2.47 3.43 0.00 -1.43 2.47 0.23 -4.50 114.94 112.67 2yu6 s ASN 109 Ca 0.24 -1.07 0.14 0.00 0.42 0.00 0.00 52.86 52.60 2yu6 s ASN 109 Cb 0.01 -0.87 0.66 0.00 -1.45 0.00 0.00 41.25 39.60 2yu6 s ASN 109 CO 0.17 -0.29 1.44 -0.81 -3.72 0.00 0.00 177.10 173.89 2yu6 n PRO 110 N 4.87 0.08 0.00 0.43 -0.04 -1.26 -1.88 135.00 137.19 2yu6 n PRO 110 Ca -0.09 0.21 0.12 0.00 -0.04 0.00 0.00 63.50 63.70 2yu6 n PRO 110 Cb 0.45 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.62 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 -1.42 0.00 -3.16 0.54 7.02 -1.26 -4.36 117.44 114.80 2yu6 n TRP 111 Ca 0.05 0.00 -0.22 0.00 -1.02 0.00 0.00 57.50 56.30 2yu6 n TRP 111 Cb 0.15 -0.01 -0.05 0.00 -2.42 0.00 0.00 31.31 28.98 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 0.64 1.80 -3.94 -0.99 5.15 -0.79 -4.92 115.26 112.22 2yu6 n ASN 112 Ca 0.14 -3.13 -0.30 0.00 -0.60 0.00 0.00 54.58 50.69 2yu6 n ASN 112 Cb 0.49 -0.62 0.02 0.00 -0.53 0.00 0.00 39.78 39.15 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 0.49 -4.07 -4.28 1.20 8.00 -1.26 -1.08 116.55 115.56 2yu6 n ASP 113 Ca 0.26 -0.82 -0.37 0.00 0.71 0.00 0.00 54.79 54.57 2yu6 n ASP 113 Cb 0.54 -3.72 -0.04 0.00 -0.02 0.00 0.00 41.12 37.88 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 -2.84 -2.49 -4.92 -2.24 6.94 -0.85 -4.92 115.26 103.94 2yu6 n ASN 114 Ca -0.00 -1.08 -0.27 0.00 -0.02 0.00 0.00 54.58 53.21 2yu6 n ASN 114 Cb 0.54 -2.46 -0.02 0.00 -2.36 0.00 0.00 39.78 35.48 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 -7.00 3.57 0.29 -3.83 -0.14 -0.24 -4.66 119.74 107.73 2yu6 s LYS 115 Ca 0.66 -0.13 -0.30 0.00 -1.36 0.00 0.00 55.97 54.84 2yu6 s LYS 115 Cb -0.37 -2.65 -0.12 0.00 -1.68 0.00 0.00 37.83 33.01 2yu6 s LYS 115 CO 0.95 0.19 1.57 1.17 -0.76 0.00 0.00 175.35 178.46 2yu6 n LYS 116 N -1.26 2.62 -0.06 1.68 4.81 -1.26 0.75 118.16 125.45 2yu6 n LYS 116 Ca -0.03 0.93 -0.02 0.00 -0.87 0.00 0.00 58.31 58.33 2yu6 n LYS 116 Cb 0.55 -2.70 -0.01 0.00 0.02 0.00 0.00 35.03 32.89 2yu6 n LYS 116 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2yu6 n VAL 117 N 1.98 -0.10 -0.24 3.15 0.31 -1.21 0.11 118.33 122.34 2yu6 n VAL 117 Ca 0.08 1.37 0.24 0.00 -0.01 0.00 0.00 64.34 66.02 2yu6 n VAL 117 Cb 0.36 -1.79 0.43 0.00 -0.91 0.00 0.00 33.84 31.94 2yu6 n VAL 117 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2yu6 n GLN 118 N -3.20 -0.04 -1.17 5.55 10.64 -1.26 -2.27 117.38 125.64 2yu6 n GLN 118 Ca 0.00 1.00 -0.38 0.00 -1.83 0.00 0.00 57.00 55.80 2yu6 n GLN 118 Cb 0.04 -1.81 -0.04 0.00 -0.86 0.00 0.00 30.24 27.57 2yu6 n GLN 118 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.06 174.34 2yu6 n ILE 119 N -4.62 2.38 -4.30 -0.39 5.41 0.30 -4.84 119.36 113.30 2yu6 n ILE 119 Ca 0.28 -1.86 -0.16 0.00 1.00 0.00 0.00 62.75 62.01 2yu6 n ILE 119 Cb 0.95 -2.34 -0.10 0.00 -0.71 0.00 0.00 39.64 37.44 2yu6 n ILE 119 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 2yu6 s SER 120 N 4.17 1.62 0.32 4.38 0.15 -0.96 -4.75 113.70 118.63 2yu6 s SER 120 Ca 0.52 -1.20 0.07 0.00 0.70 0.00 0.00 55.95 56.04 2yu6 s SER 120 Cb 0.14 0.05 -0.03 0.00 -1.71 0.00 0.00 66.02 64.46 2yu6 s SER 120 CO 0.04 -0.53 0.26 0.00 1.20 0.00 0.00 173.24 174.21 2yu6 s ARG 121 N -3.88 2.72 -0.05 5.44 1.70 -1.26 -5.02 118.95 118.60 2yu6 s ARG 121 Ca 0.27 -1.28 -0.30 0.00 -0.47 0.00 0.00 55.73 53.95 2yu6 s ARG 121 Cb 0.06 -2.46 -0.06 0.00 -0.57 0.00 0.00 34.95 31.91 2yu6 s ARG 121 CO 0.07 0.14 1.77 0.16 -1.08 0.00 0.00 175.30 176.37 2yu6 s ASP 122 N -3.96 6.52 0.00 -2.89 1.47 -1.26 -1.97 116.67 114.58 2yu6 s ASP 122 Ca 0.39 2.30 0.00 0.00 1.18 0.00 0.00 52.55 56.42 2yu6 s ASP 122 Cb -0.06 -2.53 0.00 0.00 -0.34 0.00 0.00 42.92 39.99 2yu6 s ASP 122 CO 0.26 -1.04 0.00 0.61 0.68 0.00 0.00 175.17 175.68 2yu6 n GLY 123 N 4.38 0.70 3.75 2.12 0.00 -0.56 -4.97 105.19 110.61 2yu6 n GLY 123 Ca 0.19 -0.68 -0.38 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.83 4.27 0.33 1.61 2.00 -0.83 -4.95 119.66 120.27 2yu6 s GLN 124 Ca 0.00 0.53 -0.29 0.00 -2.00 0.00 0.00 55.36 53.60 2yu6 s GLN 124 Cb 0.00 -3.38 -0.10 0.00 0.80 0.00 0.00 33.01 30.33 2yu6 s GLN 124 CO 0.00 0.29 1.28 -2.00 -0.50 0.00 0.00 175.29 174.36 2yu6 s GLU 125 N 0.17 4.37 -0.10 1.67 2.56 -1.26 -2.80 118.70 123.31 2yu6 s GLU 125 Ca 0.27 2.15 0.03 0.00 0.00 0.00 0.00 54.97 57.43 2yu6 s GLU 125 Cb -0.16 -3.06 0.01 0.00 2.00 0.00 0.00 34.13 32.91 2yu6 s GLU 125 CO 0.13 -0.15 -0.20 -1.17 -0.56 0.00 0.00 175.26 173.30 2yu6 s LEU 126 N -1.79 1.95 0.32 2.70 2.96 0.46 -4.94 118.68 120.34 2yu6 s LEU 126 Ca 0.49 -0.50 -0.28 0.00 -0.22 0.00 0.00 54.13 53.61 2yu6 s LEU 126 Cb -0.39 -1.26 -0.13 0.00 0.50 0.00 0.00 46.19 44.92 2yu6 s LEU 126 CO 0.51 0.10 1.27 1.21 -1.32 0.00 0.00 176.35 178.12 2yu6 n GLU 127 N 3.80 2.02 0.00 1.98 2.13 -1.26 -3.71 120.64 125.61 2yu6 n GLU 127 Ca -0.20 0.71 0.07 0.00 0.66 0.00 0.00 57.16 58.41 2yu6 n GLU 127 Cb 0.52 -2.28 0.41 0.00 0.27 0.00 0.00 31.44 30.37 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 0.75 0.33 -0.08 5.31 -0.04 -1.26 -0.85 135.00 139.16 2yu6 n PRO 128 Ca 0.06 0.08 -0.22 0.00 -0.04 0.00 0.00 63.50 63.39 2yu6 n PRO 128 Cb 0.35 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.19 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 0.06 0.00 0.54 4.15 -1.98 -3.30 115.11 114.59 2yu6 h GLN 129 Ca 0.00 -0.10 -0.11 0.00 0.77 0.00 0.00 58.65 59.20 2yu6 h GLN 129 Cb 0.08 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 2yu6 h GLN 129 CO 0.00 1.05 -1.09 -0.39 -1.93 0.00 0.00 178.83 176.47 2yu6 h VAL 130 N -0.77 0.43 0.00 2.39 -1.51 -1.84 -3.27 116.25 111.68 2yu6 h VAL 130 Ca -0.36 -1.77 -0.13 0.00 -1.23 0.00 0.00 66.70 63.21 2yu6 h VAL 130 Cb 1.46 1.98 -0.02 0.00 -2.13 0.00 0.00 31.29 32.58 2yu6 h VAL 130 CO -0.14 0.25 -0.62 1.23 -1.23 0.00 0.00 177.57 177.06 2yu6 h GLY 131 N 3.75 0.00 0.38 5.19 0.00 -1.20 -2.48 103.07 108.71 2yu6 h GLY 131 Ca -0.09 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.17 2yu6 h GLY 131 CO 0.04 0.00 -0.29 1.05 0.00 0.00 0.00 176.54 177.34 2yu6 h GLU 132 N 0.00 0.15 0.00 4.80 4.11 -1.68 -3.22 114.58 118.75 2yu6 h GLU 132 Ca -0.01 -0.20 0.00 0.00 0.07 0.00 0.00 59.36 59.23 2yu6 h GLU 132 Cb 1.15 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2yu6 h GLU 132 CO 0.08 1.00 0.00 0.00 0.07 0.00 0.00 179.01 180.16 2yu6 n GLN 133 N -4.46 0.02 0.05 1.06 10.64 -1.23 -2.35 117.38 121.11 2yu6 n GLN 133 Ca -0.11 0.23 -0.10 0.00 -1.83 0.00 0.00 57.00 55.20 2yu6 n GLN 133 Cb 0.56 -1.50 -0.13 0.00 -0.86 0.00 0.00 30.24 28.31 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 0.11 0.02 2.61 5.85 -1.45 -3.35 115.31 119.10 2yu6 h LEU 134 Ca 0.00 -0.13 -0.09 0.00 0.84 0.00 0.00 57.88 58.50 2yu6 h LEU 134 Cb 0.25 -0.04 0.01 0.00 0.37 0.00 0.00 40.66 41.25 2yu6 h LEU 134 CO 0.00 1.11 -0.36 -0.07 -0.34 0.00 0.00 178.44 178.78 2yu6 h LEU 135 N 0.02 0.27 -1.79 2.25 3.38 -1.49 -3.24 115.31 114.71 2yu6 h LEU 135 Ca -0.11 -0.84 0.34 0.00 0.09 0.00 0.00 57.88 57.36 2yu6 h LEU 135 Cb 1.87 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 42.49 2yu6 h LEU 135 CO 0.13 1.08 0.98 0.06 0.09 0.00 0.00 178.44 180.78 2yu6 h GLN 136 N -0.50 0.00 -0.81 1.13 3.07 -1.68 0.24 115.11 116.56 2yu6 h GLN 136 Ca -0.05 0.00 0.15 0.00 0.09 0.00 0.00 58.65 58.84 2yu6 h GLN 136 Cb 1.16 0.00 -0.10 0.00 0.08 0.00 0.00 27.48 28.62 2yu6 h GLN 136 CO 0.07 0.00 0.38 -0.07 0.09 0.00 0.00 178.83 179.30 2yu6 h LEU 137 N 0.00 0.43 -2.03 0.06 3.38 -1.68 0.27 115.31 115.74 2yu6 h LEU 137 Ca 0.56 0.10 0.13 0.00 0.09 0.00 0.00 57.88 58.75 2yu6 h LEU 137 Cb 2.50 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 43.28 2yu6 h LEU 137 CO -0.01 0.17 0.40 -0.50 0.09 0.00 0.00 178.44 178.59 2yu6 h TRP 138 N 0.55 0.00 0.00 1.13 6.55 -0.72 0.47 115.95 123.92 2yu6 h TRP 138 Ca 0.45 0.00 -0.05 0.00 0.95 0.00 0.00 58.89 60.24 2yu6 h TRP 138 Cb 0.66 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.95 2yu6 h TRP 138 CO -0.12 0.00 -0.22 0.93 -1.05 0.00 0.00 178.44 177.98 2yu6 h GLU 139 N 0.00 0.00 0.00 0.49 5.08 -0.59 -2.66 114.58 116.90 2yu6 h GLU 139 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2yu6 h GLU 139 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 2yu6 h GLU 139 CO -0.00 0.22 0.00 0.54 -1.00 0.00 0.00 179.01 178.77 2yu6 n ARG 140 N -3.34 0.16 0.00 2.33 1.74 0.16 -5.17 116.66 112.55 2yu6 n ARG 140 Ca 0.01 0.16 0.11 0.00 -0.77 0.00 0.00 57.85 57.36 2yu6 n ARG 140 Cb 0.45 -1.70 0.65 0.00 -1.02 0.00 0.00 32.46 30.84 2yu6 n ARG 140 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39