#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 5.63 0.68 1.61 0.01 -1.26 -5.09 113.70 115.28 2yu6 s SER 2 Ca 0.00 -0.36 -0.16 0.00 1.31 0.00 0.00 55.95 56.74 2yu6 s SER 2 Cb 0.00 -1.05 0.01 0.00 0.21 0.00 0.00 66.02 65.19 2yu6 s SER 2 CO 0.00 -0.44 1.20 -0.55 0.41 0.00 0.00 173.24 173.86 2yu6 s SER 3 N -4.12 4.63 0.00 2.44 0.15 -1.26 -4.53 113.70 111.02 2yu6 s SER 3 Ca 0.44 2.33 0.00 0.00 0.70 0.00 0.00 55.95 59.42 2yu6 s SER 3 Cb -0.08 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.64 2yu6 s SER 3 CO 0.29 -1.97 0.00 0.61 1.20 0.00 0.00 173.24 173.38 2yu6 n GLY 4 N 0.33 1.62 3.68 9.45 0.00 -1.26 -5.10 105.19 113.90 2yu6 n GLY 4 Ca 0.13 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 6.75 -0.59 1.61 1.04 -1.26 -4.90 113.70 116.35 2yu6 s SER 5 Ca 0.00 2.19 -0.00 0.00 0.48 0.00 0.00 55.95 58.62 2yu6 s SER 5 Cb 0.00 -2.55 0.49 0.00 0.10 0.00 0.00 66.02 64.06 2yu6 s SER 5 CO 0.00 -0.83 2.00 -1.54 0.98 0.00 0.00 173.24 173.85 2yu6 n SER 6 N 6.15 6.57 -0.47 7.02 3.41 -1.24 -4.98 113.62 130.08 2yu6 n SER 6 Ca 0.15 -3.69 0.05 0.00 -0.26 0.00 0.00 58.87 55.12 2yu6 n SER 6 Cb 0.43 -0.94 -0.01 0.00 -0.26 0.00 0.00 64.21 63.42 2yu6 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yu6 n GLY 7 N -0.91 -1.98 3.80 5.00 0.00 -1.26 -4.85 105.19 104.98 2yu6 n GLY 7 Ca 0.60 -1.36 -0.35 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.95 4.18 0.58 1.61 0.11 -1.26 -3.86 120.40 120.81 2yu6 s VAL 8 Ca 0.00 1.60 0.09 0.00 -2.93 0.00 0.00 61.98 60.74 2yu6 s VAL 8 Cb 0.00 -3.80 0.08 0.00 -1.53 0.00 0.00 36.38 31.14 2yu6 s VAL 8 CO 0.00 -0.05 0.73 -0.13 -3.33 0.00 0.00 175.10 172.32 2yu6 s ARG 9 N -2.56 2.25 -0.03 1.54 1.81 -1.09 -4.89 118.95 115.99 2yu6 s ARG 9 Ca 0.56 -1.76 -0.01 0.00 -1.72 0.00 0.00 55.73 52.80 2yu6 s ARG 9 Cb -0.16 -2.52 0.03 0.00 -0.45 0.00 0.00 34.95 31.85 2yu6 s ARG 9 CO 0.20 -0.86 0.06 0.71 -0.68 0.00 0.00 175.30 174.74 2yu6 s TYR 10 N -2.72 -0.04 -0.02 -0.53 1.51 -1.26 -1.13 117.35 113.16 2yu6 s TYR 10 Ca 0.56 0.22 0.01 0.00 -1.01 0.00 0.00 57.07 56.86 2yu6 s TYR 10 Cb -0.05 -0.14 0.01 0.00 -0.11 0.00 0.00 41.96 41.68 2yu6 s TYR 10 CO 0.36 -0.09 -0.03 -0.06 -1.11 0.00 0.00 175.55 174.61 2yu6 s PHE 11 N 0.85 0.49 -0.25 2.71 0.08 -0.47 0.13 117.98 121.52 2yu6 s PHE 11 Ca -0.07 -0.09 -0.21 0.00 0.12 0.00 0.00 56.93 56.68 2yu6 s PHE 11 Cb -0.10 -0.44 -0.02 0.00 -0.57 0.00 0.00 43.02 41.90 2yu6 s PHE 11 CO -0.03 -0.10 0.67 0.42 -0.10 0.00 0.00 175.22 176.08 2yu6 s ILE 12 N 0.55 4.95 -0.25 0.64 -1.09 0.29 -1.75 121.20 124.54 2yu6 s ILE 12 Ca -0.06 1.22 0.00 0.00 -2.23 0.00 0.00 60.65 59.58 2yu6 s ILE 12 Cb -0.10 -3.97 0.04 0.00 -1.58 0.00 0.00 42.46 36.85 2yu6 s ILE 12 CO -0.01 0.00 -0.08 -0.04 -1.23 0.00 0.00 174.94 173.58 2yu6 s MET 13 N 2.58 2.56 0.37 2.79 -1.94 -0.49 -1.32 119.30 123.86 2yu6 s MET 13 Ca 0.28 -1.15 -0.05 0.00 -1.71 0.00 0.00 55.69 53.06 2yu6 s MET 13 Cb -0.15 -2.94 -0.05 0.00 2.01 0.00 0.00 34.83 33.70 2yu6 s MET 13 CO 0.08 -0.48 0.66 0.15 -0.01 0.00 0.00 175.02 175.42 2yu6 s LYS 14 N 1.23 3.62 -0.06 2.03 -0.14 -1.26 -2.42 119.74 122.73 2yu6 s LYS 14 Ca -0.04 0.10 -0.02 0.00 -1.36 0.00 0.00 55.97 54.66 2yu6 s LYS 14 Cb -0.18 -2.53 0.03 0.00 -1.68 0.00 0.00 37.83 33.47 2yu6 s LYS 14 CO -0.05 0.05 0.02 0.45 -0.76 0.00 0.00 175.35 175.06 2yu6 s SER 15 N -3.52 1.39 0.16 2.83 0.15 -1.12 -4.79 113.70 108.79 2yu6 s SER 15 Ca 0.46 -0.02 -0.24 0.00 0.70 0.00 0.00 55.95 56.84 2yu6 s SER 15 Cb -0.10 -0.33 0.03 0.00 -1.71 0.00 0.00 66.02 63.91 2yu6 s SER 15 CO 0.35 -0.21 1.60 0.28 1.20 0.00 0.00 173.24 176.46 2yu6 h SER 16 N 8.33 -1.08 -1.71 5.45 0.02 -1.96 -1.22 113.55 121.39 2yu6 h SER 16 Ca -0.18 0.18 -0.56 0.00 -0.84 0.00 0.00 61.79 60.39 2yu6 h SER 16 Cb 1.12 0.49 -0.08 0.00 0.14 0.00 0.00 62.40 64.07 2yu6 h SER 16 CO 0.23 -0.33 -0.52 0.21 -1.14 0.00 0.00 176.83 175.27 2yu6 s ASN 17 N -5.03 4.47 -0.08 3.07 2.47 -1.26 -4.32 114.94 114.26 2yu6 s ASN 17 Ca -0.15 -0.98 -0.23 0.00 0.42 0.00 0.00 52.86 51.92 2yu6 s ASN 17 Cb 0.12 -0.55 -0.29 0.00 -1.45 0.00 0.00 41.25 39.08 2yu6 s ASN 17 CO 0.67 -0.45 0.82 0.25 -3.72 0.00 0.00 177.10 174.68 2yu6 h LEU 18 N 1.49 0.32 -0.76 3.21 7.12 -1.99 -3.36 115.31 121.35 2yu6 h LEU 18 Ca -0.43 -0.95 0.12 0.00 0.13 0.00 0.00 57.88 56.75 2yu6 h LEU 18 Cb 1.25 -0.10 -0.13 0.00 -0.53 0.00 0.00 40.66 41.15 2yu6 h LEU 18 CO 0.67 1.30 -0.38 -0.09 -0.13 0.00 0.00 178.44 179.81 2yu6 h ARG 19 N -0.56 -0.10 -1.46 1.25 9.65 -1.98 0.60 114.38 121.77 2yu6 h ARG 19 Ca -0.12 0.01 0.48 0.00 -1.10 0.00 0.00 59.98 59.25 2yu6 h ARG 19 Cb 1.46 0.02 -0.12 0.00 -1.39 0.00 0.00 29.97 29.94 2yu6 h ARG 19 CO 0.09 -0.07 0.97 -0.91 2.80 0.00 0.00 179.97 182.85 2yu6 h ASN 20 N -0.11 0.18 0.08 -3.80 2.35 -2.00 1.43 115.58 113.71 2yu6 h ASN 20 Ca 0.26 0.12 -0.26 0.00 -0.55 0.00 0.00 56.30 55.88 2yu6 h ASN 20 Cb 0.57 0.12 0.02 0.00 0.05 0.00 0.00 38.32 39.07 2yu6 h ASN 20 CO -0.81 -0.19 -1.03 0.25 -1.65 0.00 0.00 177.43 174.01 2yu6 h LEU 21 N 0.03 0.83 -1.72 1.61 5.85 0.01 -3.21 115.31 118.71 2yu6 h LEU 21 Ca 0.87 -0.67 0.30 0.00 0.84 0.00 0.00 57.88 59.22 2yu6 h LEU 21 Cb 2.91 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 43.62 2yu6 h LEU 21 CO -0.37 1.47 0.74 -0.33 -0.34 0.00 0.00 178.44 179.61 2yu6 h GLU 22 N 0.36 0.17 -0.36 1.25 4.39 0.23 0.55 114.58 121.17 2yu6 h GLU 22 Ca -0.12 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.55 2yu6 h GLU 22 Cb 1.68 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 30.27 2yu6 h GLU 22 CO 0.20 0.11 0.13 0.82 -1.16 0.00 0.00 179.01 179.11 2yu6 h ILE 23 N 0.17 1.15 0.00 3.13 5.03 -1.51 -0.82 117.51 124.65 2yu6 h ILE 23 Ca 0.56 -0.47 0.00 0.00 -0.12 0.00 0.00 64.86 64.83 2yu6 h ILE 23 Cb 1.86 0.73 0.00 0.00 -3.03 0.00 0.00 36.82 36.38 2yu6 h ILE 23 CO -0.14 0.18 0.00 -1.28 -0.68 0.00 0.00 178.15 176.23 2yu6 h SER 24 N 0.50 0.00 0.53 1.72 0.87 0.10 0.12 113.55 117.40 2yu6 h SER 24 Ca 0.12 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.40 2yu6 h SER 24 Cb 0.12 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.04 2yu6 h SER 24 CO -0.01 0.00 -1.61 1.56 -0.53 0.00 0.00 176.83 176.24 2yu6 h GLN 25 N 0.00 0.05 0.00 2.24 4.20 -0.91 -3.11 115.11 117.58 2yu6 h GLN 25 Ca 0.00 -0.08 -0.10 0.00 0.06 0.00 0.00 58.65 58.53 2yu6 h GLN 25 Cb 0.76 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.55 2yu6 h GLN 25 CO 0.00 0.70 -1.30 1.04 -0.67 0.00 0.00 178.83 178.59 2yu6 n GLN 26 N -3.17 0.54 0.04 1.46 1.13 -0.58 -4.55 117.38 112.25 2yu6 n GLN 26 Ca -0.16 0.24 -0.00 0.00 -1.94 0.00 0.00 57.00 55.14 2yu6 n GLN 26 Cb 1.03 -1.46 0.29 0.00 0.11 0.00 0.00 30.24 30.22 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 0.42 0.00 -1.09 1.79 -0.98 -3.47 116.57 112.23 2yu6 h LYS 27 Ca -0.15 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 58.21 2yu6 h LYS 27 Cb 1.11 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.71 2yu6 h LYS 27 CO -0.09 0.55 0.00 0.41 -1.08 0.00 0.00 179.45 179.24 2yu6 n GLY 28 N -0.69 0.56 3.23 3.86 0.00 -1.12 -5.01 105.19 106.01 2yu6 n GLY 28 Ca 0.00 -0.83 -0.13 0.00 0.00 0.00 0.00 46.02 45.06 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 0.16 -0.16 -0.61 -5.25 -1.26 -1.76 121.20 110.33 2yu6 s ILE 29 Ca 0.00 -2.00 -0.08 0.00 -0.99 0.00 0.00 60.65 57.58 2yu6 s ILE 29 Cb 0.00 -2.51 0.06 0.00 2.95 0.00 0.00 42.46 42.96 2yu6 s ILE 29 CO 0.00 -0.03 0.38 0.86 -1.79 0.00 0.00 174.94 174.36 2yu6 s TRP 30 N -4.04 -0.58 -0.34 1.37 -0.11 0.24 -3.31 118.94 112.17 2yu6 s TRP 30 Ca 0.38 1.23 -0.06 0.00 1.22 0.00 0.00 56.10 58.86 2yu6 s TRP 30 Cb 0.07 0.23 0.04 0.00 -1.50 0.00 0.00 33.47 32.31 2yu6 s TRP 30 CO 0.12 -0.34 0.11 -1.54 -4.62 0.00 0.00 176.95 170.67 2yu6 s SER 31 N 1.56 5.31 0.44 5.86 1.04 -1.26 -2.93 113.70 123.71 2yu6 s SER 31 Ca -0.08 -1.16 0.07 0.00 0.48 0.00 0.00 55.95 55.26 2yu6 s SER 31 Cb -0.09 -1.87 -0.02 0.00 0.10 0.00 0.00 66.02 64.14 2yu6 s SER 31 CO -0.12 -0.33 0.30 0.28 0.98 0.00 0.00 173.24 174.35 2yu6 s THR 32 N 1.40 2.34 0.40 2.02 -1.32 -1.26 -5.06 115.64 114.16 2yu6 s THR 32 Ca -0.02 -1.52 -0.26 0.00 -1.21 0.00 0.00 61.69 58.68 2yu6 s THR 32 Cb -0.20 -2.86 -0.10 0.00 -1.51 0.00 0.00 72.50 67.83 2yu6 s THR 32 CO 0.03 0.00 1.36 1.07 -2.21 0.00 0.00 174.62 174.86 2yu6 n THR 33 N -1.45 2.37 0.98 5.08 5.66 -1.26 -4.65 114.28 121.01 2yu6 n THR 33 Ca 0.01 -0.50 0.06 0.00 -3.05 0.00 0.00 64.05 60.56 2yu6 n THR 33 Cb 0.63 -1.72 0.33 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 0.18 0.49 0.02 1.09 -0.04 -1.26 -2.08 135.00 133.40 2yu6 n PRO 34 Ca 0.05 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.62 2yu6 n PRO 34 Cb 0.39 -1.36 0.08 0.00 -0.04 0.00 0.00 33.50 32.58 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 -0.86 0.64 -0.19 3.54 7.64 -1.26 -4.07 113.62 119.05 2yu6 n SER 35 Ca 0.08 -0.27 0.07 0.00 1.01 0.00 0.00 58.87 59.76 2yu6 n SER 35 Cb 0.04 0.60 0.10 0.00 -1.01 0.00 0.00 64.21 63.94 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 -1.80 1.65 0.02 6.43 3.02 -0.88 -4.73 115.26 118.96 2yu6 n ASN 36 Ca 0.03 -2.76 -0.21 0.00 -0.03 0.00 0.00 54.58 51.61 2yu6 n ASN 36 Cb 0.40 -0.36 -0.14 0.00 -0.61 0.00 0.00 39.78 39.07 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 0.29 -0.98 3.52 5.08 -1.70 -3.35 114.58 117.44 2yu6 h GLU 37 Ca 0.00 -0.50 0.34 0.00 -1.00 0.00 0.00 59.36 58.20 2yu6 h GLU 37 Cb 1.11 0.19 -0.16 0.00 0.50 0.00 0.00 28.75 30.39 2yu6 h GLU 37 CO 0.00 1.23 0.47 0.07 -1.00 0.00 0.00 179.01 179.78 2yu6 h ARG 38 N 0.08 0.18 0.00 2.33 -0.00 -1.85 0.19 114.38 115.31 2yu6 h ARG 38 Ca -0.40 -0.01 0.00 0.00 -0.00 0.00 0.00 59.98 59.57 2yu6 h ARG 38 Cb 2.05 -0.04 0.00 0.00 -0.00 0.00 0.00 29.97 31.98 2yu6 h ARG 38 CO 0.11 0.12 0.00 0.36 -0.00 0.00 0.00 179.97 180.56 2yu6 n LYS 39 N -5.18 0.00 -0.31 0.08 2.85 -1.26 -0.96 118.16 113.38 2yu6 n LYS 39 Ca 0.32 0.35 0.24 0.00 -1.05 0.00 0.00 58.31 58.17 2yu6 n LYS 39 Cb 1.02 -1.10 0.46 0.00 -0.65 0.00 0.00 35.03 34.75 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 -1.55 0.18 0.26 -5.58 4.77 -0.98 0.95 117.00 115.05 2yu6 n LEU 40 Ca 0.00 1.56 -0.11 0.00 -0.03 0.00 0.00 56.01 57.43 2yu6 n LEU 40 Cb 0.00 -0.69 -0.05 0.00 -2.33 0.00 0.00 43.42 40.34 2yu6 n LEU 40 CO 0.00 -1.69 0.32 -1.13 -1.33 0.00 0.00 177.39 173.56 2yu6 h ASN 41 N 0.00 -0.61 0.71 -1.43 -0.73 -0.70 -2.68 115.58 110.14 2yu6 h ASN 41 Ca 0.72 0.02 -0.03 0.00 1.87 0.00 0.00 56.30 58.88 2yu6 h ASN 41 Cb 1.78 0.16 -0.00 0.00 0.27 0.00 0.00 38.32 40.52 2yu6 h ASN 41 CO -0.77 -0.26 -0.44 -0.09 -0.37 0.00 0.00 177.43 175.49 2yu6 h ARG 42 N -1.06 -1.04 -0.99 6.67 9.65 0.94 -2.62 114.38 125.92 2yu6 h ARG 42 Ca -0.07 0.07 0.37 0.00 -1.10 0.00 0.00 59.98 59.25 2yu6 h ARG 42 Cb 0.55 0.24 -0.18 0.00 -1.39 0.00 0.00 29.97 29.19 2yu6 h ARG 42 CO 0.12 -0.69 0.42 0.00 2.80 0.00 0.00 179.97 182.62 2yu6 h ALA 43 N -1.25 1.90 -0.86 2.80 0.00 0.43 0.84 119.26 123.12 2yu6 h ALA 43 Ca -0.10 0.28 0.18 0.00 0.00 0.00 0.00 54.91 55.28 2yu6 h ALA 43 Cb 0.87 0.37 -0.11 0.00 0.00 0.00 0.00 17.79 18.92 2yu6 h ALA 43 CO 0.09 -0.82 0.39 0.35 0.00 0.00 0.00 179.25 179.26 2yu6 h PHE 44 N 0.04 0.66 0.05 0.00 3.04 -1.10 0.71 116.94 120.35 2yu6 h PHE 44 Ca 0.77 0.04 -0.18 0.00 3.98 0.00 0.00 57.97 62.58 2yu6 h PHE 44 Cb 1.93 -0.16 -0.01 0.00 2.56 0.00 0.00 35.95 40.27 2yu6 h PHE 44 CO -0.13 0.04 -0.95 -1.49 -2.02 0.00 0.00 178.31 173.77 2yu6 h TRP 45 N 0.48 0.21 0.00 0.41 6.55 0.57 -3.32 115.95 120.84 2yu6 h TRP 45 Ca 0.51 -0.15 0.00 0.00 0.95 0.00 0.00 58.89 60.19 2yu6 h TRP 45 Cb 0.87 -0.01 0.00 0.00 -0.86 0.00 0.00 29.16 29.16 2yu6 h TRP 45 CO -0.13 1.37 0.02 0.93 -1.05 0.00 0.00 178.44 179.58 2yu6 h GLU 46 N -0.69 0.00 -5.05 0.49 5.08 -0.55 -3.43 114.58 110.44 2yu6 h GLU 46 Ca -0.22 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.59 2yu6 h GLU 46 Cb 1.42 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.54 2yu6 h GLU 46 CO -0.02 0.00 -0.52 -1.12 -1.00 0.00 0.00 179.01 176.34 2yu6 s SER 47 N -4.81 2.71 -0.12 1.42 0.01 0.24 -3.71 113.70 109.44 2yu6 s SER 47 Ca -0.04 -1.65 -0.11 0.00 1.31 0.00 0.00 55.95 55.46 2yu6 s SER 47 Cb 0.11 0.46 -0.10 0.00 0.21 0.00 0.00 66.02 66.71 2yu6 s SER 47 CO 0.35 -0.91 0.26 -1.28 0.41 0.00 0.00 173.24 172.06 2yu6 h SER 48 N 1.83 0.00 -3.07 2.44 0.87 -1.77 -3.43 113.55 110.42 2yu6 h SER 48 Ca -0.35 -0.35 -0.48 0.00 -1.23 0.00 0.00 61.79 59.37 2yu6 h SER 48 Cb 1.27 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 63.09 2yu6 h SER 48 CO 0.57 0.72 -0.64 -0.63 -0.53 0.00 0.00 176.83 176.32 2yu6 s ILE 49 N -1.84 1.40 -0.27 2.23 1.01 -1.26 -4.95 121.20 117.51 2yu6 s ILE 49 Ca -0.08 -2.05 -0.02 0.00 0.00 0.00 0.00 60.65 58.50 2yu6 s ILE 49 Cb -0.01 -2.64 0.09 0.00 0.01 0.00 0.00 42.46 39.91 2yu6 s ILE 49 CO 0.27 -0.14 0.09 -0.69 0.00 0.00 0.00 174.94 174.46 2yu6 s VAL 50 N -3.16 0.55 -0.02 2.92 1.01 -1.26 -2.68 120.40 117.75 2yu6 s VAL 50 Ca 0.33 -1.01 -0.28 0.00 0.00 0.00 0.00 61.98 61.02 2yu6 s VAL 50 Cb 0.07 -1.32 -0.03 0.00 0.00 0.00 0.00 36.38 35.09 2yu6 s VAL 50 CO 0.14 -0.56 0.89 -0.31 0.00 0.00 0.00 175.10 175.26 2yu6 s TYR 51 N 1.80 3.63 -0.26 5.22 2.02 -0.28 -0.03 117.35 129.45 2yu6 s TYR 51 Ca 0.07 1.55 0.01 0.00 -0.37 0.00 0.00 57.07 58.32 2yu6 s TYR 51 Cb -0.17 -3.02 0.07 0.00 -0.40 0.00 0.00 41.96 38.44 2yu6 s TYR 51 CO -0.23 0.02 -0.01 -0.51 -1.57 0.00 0.00 175.55 173.25 2yu6 s LEU 52 N 0.96 2.65 -0.33 -1.29 1.43 0.17 -1.37 118.68 120.90 2yu6 s LEU 52 Ca 0.47 -1.34 -0.26 0.00 -1.03 0.00 0.00 54.13 51.98 2yu6 s LEU 52 Cb -0.20 -1.13 0.01 0.00 0.03 0.00 0.00 46.19 44.90 2yu6 s LEU 52 CO 0.25 -0.29 0.92 -0.69 0.23 0.00 0.00 176.35 176.76 2yu6 s VAL 53 N 1.41 4.64 0.03 -1.59 1.01 -0.72 -0.78 120.40 124.40 2yu6 s VAL 53 Ca -0.01 1.33 -0.10 0.00 0.00 0.00 0.00 61.98 63.21 2yu6 s VAL 53 Cb -0.18 -4.29 -0.05 0.00 0.00 0.00 0.00 36.38 31.85 2yu6 s VAL 53 CO -0.10 -0.42 0.34 -0.36 0.00 0.00 0.00 175.10 174.57 2yu6 s PHE 54 N 3.33 3.62 -0.24 5.22 0.08 0.62 -1.40 117.98 129.20 2yu6 s PHE 54 Ca 0.38 0.75 -0.04 0.00 0.12 0.00 0.00 56.93 58.14 2yu6 s PHE 54 Cb -0.13 -2.12 0.13 0.00 -0.57 0.00 0.00 43.02 40.33 2yu6 s PHE 54 CO 0.15 0.59 0.45 0.45 -0.10 0.00 0.00 175.22 176.77 2yu6 s SER 55 N -1.53 -0.32 -0.02 1.36 0.15 -1.02 -2.24 113.70 110.08 2yu6 s SER 55 Ca 0.28 0.69 -0.30 0.00 0.70 0.00 0.00 55.95 57.32 2yu6 s SER 55 Cb -0.14 1.48 -0.06 0.00 -1.71 0.00 0.00 66.02 65.58 2yu6 s SER 55 CO 0.15 -0.26 1.63 -0.69 1.20 0.00 0.00 173.24 175.27 2yu6 s VAL 56 N 2.65 3.46 0.31 4.45 1.01 -1.26 -2.81 120.40 128.21 2yu6 s VAL 56 Ca 0.08 0.69 0.03 0.00 0.00 0.00 0.00 61.98 62.78 2yu6 s VAL 56 Cb -0.14 -3.44 0.41 0.00 0.00 0.00 0.00 36.38 33.21 2yu6 s VAL 56 CO -0.16 -0.04 1.57 -0.61 0.00 0.00 0.00 175.10 175.86 2yu6 h GLN 57 N 9.05 0.01 0.00 2.72 4.15 -1.42 -3.12 115.11 126.49 2yu6 h GLN 57 Ca -0.40 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.02 2yu6 h GLN 57 Cb 1.18 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.87 2yu6 h GLN 57 CO 0.94 0.00 0.00 0.41 -1.93 0.00 0.00 178.83 178.26 2yu6 n GLY 58 N -1.49 -2.50 2.47 2.39 0.00 -1.26 -4.76 105.19 100.04 2yu6 n GLY 58 Ca 0.24 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.09 -1.28 1.61 2.88 -1.18 -4.80 113.62 109.76 2yu6 n SER 59 Ca 0.00 0.79 0.04 0.00 -1.33 0.00 0.00 58.87 58.37 2yu6 n SER 59 Cb 0.00 -0.69 0.22 0.00 -0.75 0.00 0.00 64.21 63.00 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 1.50 2.33 3.67 0.46 0.00 -1.26 -4.69 105.19 107.19 2yu6 n GLY 60 Ca 0.12 -0.51 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.98 2.10 -0.44 1.61 3.76 -1.26 -3.70 115.29 115.38 2yu6 s HIS 61 Ca 0.30 -0.88 -0.18 0.00 -0.15 0.00 0.00 55.06 54.15 2yu6 s HIS 61 Cb 0.23 -1.61 0.03 0.00 1.11 0.00 0.00 32.58 32.35 2yu6 s HIS 61 CO 0.09 0.25 0.48 -0.06 -0.85 0.00 0.00 174.74 174.64 2yu6 s PHE 62 N -2.88 3.15 0.36 1.40 0.08 -0.25 -4.48 117.98 115.37 2yu6 s PHE 62 Ca 0.20 -0.45 0.19 0.00 0.12 0.00 0.00 56.93 56.99 2yu6 s PHE 62 Cb 0.05 -3.06 1.04 0.00 -0.57 0.00 0.00 43.02 40.49 2yu6 s PHE 62 CO 0.10 -0.78 1.53 1.96 -0.10 0.00 0.00 175.22 177.94 2yu6 h GLN 63 N 8.79 0.00 0.00 0.44 1.08 -1.70 -3.18 115.11 120.53 2yu6 h GLN 63 Ca -0.27 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.93 2yu6 h GLN 63 Cb 1.11 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.54 2yu6 h GLN 63 CO 0.84 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 179.13 2yu6 n GLY 64 N -1.27 0.50 3.54 3.46 0.00 -1.10 -4.38 105.19 105.96 2yu6 n GLY 64 Ca -0.01 -2.08 -0.09 0.00 0.00 0.00 0.00 46.02 43.84 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 -0.77 0.33 -0.08 1.61 -0.71 -1.25 -0.28 117.98 116.83 2yu6 s PHE 65 Ca 0.00 -0.69 -0.17 0.00 -1.04 0.00 0.00 56.93 55.03 2yu6 s PHE 65 Cb 0.00 0.17 0.04 0.00 -1.21 0.00 0.00 43.02 42.01 2yu6 s PHE 65 CO 0.00 -0.94 0.41 -1.54 -1.34 0.00 0.00 175.22 171.81 2yu6 s SER 66 N -3.00 -0.36 -0.35 1.98 1.04 0.04 -3.58 113.70 109.48 2yu6 s SER 66 Ca 0.21 0.51 -0.12 0.00 0.48 0.00 0.00 55.95 57.02 2yu6 s SER 66 Cb -0.00 0.59 -0.01 0.00 0.10 0.00 0.00 66.02 66.70 2yu6 s SER 66 CO 0.07 -0.34 0.23 0.00 0.98 0.00 0.00 173.24 174.17 2yu6 s ARG 67 N -0.64 3.37 -0.14 4.02 1.70 -0.57 0.42 118.95 127.09 2yu6 s ARG 67 Ca -0.07 -0.73 -0.40 0.00 -0.47 0.00 0.00 55.73 54.06 2yu6 s ARG 67 Cb -0.04 -3.78 -0.17 0.00 -0.57 0.00 0.00 34.95 30.39 2yu6 s ARG 67 CO 0.03 -0.49 1.50 -0.12 -1.08 0.00 0.00 175.30 175.15 2yu6 n MET 68 N 5.08 0.87 -0.07 3.89 0.00 0.95 -1.74 117.12 126.10 2yu6 n MET 68 Ca -0.13 0.32 -0.07 0.00 -0.00 0.00 0.00 57.70 57.82 2yu6 n MET 68 Cb 0.49 -1.94 -0.12 0.00 0.00 0.00 0.00 33.22 31.65 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 3.73 1.28 -4.30 6.12 2.88 -1.24 -4.38 113.62 117.71 2yu6 n SER 69 Ca 0.23 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.58 2yu6 n SER 69 Cb 0.12 0.88 -0.11 0.00 -0.75 0.00 0.00 64.21 64.35 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 -4.85 2.39 0.38 -3.46 0.15 -1.26 -5.03 113.70 102.02 2yu6 s SER 70 Ca -0.07 -0.91 -0.12 0.00 0.70 0.00 0.00 55.95 55.55 2yu6 s SER 70 Cb 0.04 -0.11 -0.07 0.00 -1.71 0.00 0.00 66.02 64.17 2yu6 s SER 70 CO 0.62 -0.13 0.76 -1.83 1.20 0.00 0.00 173.24 173.86 2yu6 s GLU 71 N -3.09 3.86 0.19 5.44 -1.05 -1.26 -4.30 118.70 118.49 2yu6 s GLU 71 Ca 0.16 0.55 -0.30 0.00 -0.15 0.00 0.00 54.97 55.23 2yu6 s GLU 71 Cb -0.03 -2.40 -0.08 0.00 -0.44 0.00 0.00 34.13 31.17 2yu6 s GLU 71 CO 0.05 0.03 1.26 0.42 0.95 0.00 0.00 175.26 177.97 2yu6 s ILE 72 N -2.24 3.38 0.00 1.83 1.01 -1.26 -4.72 121.20 119.20 2yu6 s ILE 72 Ca 0.52 1.15 0.00 0.00 0.00 0.00 0.00 60.65 62.32 2yu6 s ILE 72 Cb -0.10 -3.73 0.00 0.00 0.01 0.00 0.00 42.46 38.63 2yu6 s ILE 72 CO 0.26 0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.99 2yu6 n GLY 73 N 2.28 -0.32 0.24 6.18 0.00 -1.22 -4.94 105.19 107.41 2yu6 n GLY 73 Ca 0.05 -0.18 0.13 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.05 -1.69 1.61 3.00 -1.26 -4.23 116.66 114.04 2yu6 n ARG 74 Ca 0.00 1.05 -0.51 0.00 -0.00 0.00 0.00 57.85 58.39 2yu6 n ARG 74 Cb 0.00 -1.72 -0.05 0.00 0.00 0.00 0.00 32.46 30.69 2yu6 n ARG 74 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2yu6 n GLU 75 N -4.90 1.85 -4.02 -0.14 4.71 -1.26 -4.93 120.64 111.95 2yu6 n GLU 75 Ca 0.19 0.68 -0.10 0.00 -0.01 0.00 0.00 57.16 57.92 2yu6 n GLU 75 Cb 0.64 -2.46 -0.08 0.00 -1.01 0.00 0.00 31.44 28.53 2yu6 n GLU 75 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 2yu6 s LYS 76 N 3.53 1.08 0.27 3.49 -0.14 -1.26 -1.56 119.74 125.15 2yu6 s LYS 76 Ca 0.93 -1.25 0.01 0.00 -1.36 0.00 0.00 55.97 54.29 2yu6 s LYS 76 Cb -0.81 0.33 -0.00 0.00 -1.68 0.00 0.00 37.83 35.67 2yu6 s LYS 76 CO 0.54 -0.37 0.33 0.45 -0.76 0.00 0.00 175.35 175.55 2yu6 n SER 77 N -0.17 -0.91 0.04 2.83 2.88 -1.26 -4.99 113.62 112.04 2yu6 n SER 77 Ca -0.07 -2.53 -0.00 0.00 -1.33 0.00 0.00 58.87 54.94 2yu6 n SER 77 Cb 0.63 1.77 -0.00 0.00 -0.75 0.00 0.00 64.21 65.86 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 -0.46 0.02 -1.59 -1.46 -0.06 -1.26 -5.00 117.38 107.56 2yu6 n GLN 78 Ca 0.02 0.01 -0.49 0.00 -2.00 0.00 0.00 57.00 54.54 2yu6 n GLN 78 Cb 0.46 -0.53 -0.05 0.00 -4.06 0.00 0.00 30.24 26.05 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 -3.43 2.90 -3.55 1.69 9.92 -1.26 -4.91 116.55 117.91 2yu6 n ASP 79 Ca -0.01 0.67 -0.11 0.00 -0.53 0.00 0.00 54.79 54.81 2yu6 n ASP 79 Cb 0.11 -1.35 -0.04 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 5.81 -0.40 -0.06 1.24 0.23 -1.26 -5.03 118.94 119.47 2yu6 s TRP 80 Ca 1.00 0.58 -0.08 0.00 -2.03 0.00 0.00 56.10 55.57 2yu6 s TRP 80 Cb -0.72 0.47 -0.29 0.00 0.03 0.00 0.00 33.47 32.96 2yu6 s TRP 80 CO 0.49 -0.42 0.61 0.78 0.96 0.00 0.00 176.95 179.37 2yu6 h GLY 81 N 2.46 0.38 -7.56 0.98 0.00 -1.94 -3.44 103.07 93.96 2yu6 h GLY 81 Ca -0.20 -0.96 -0.71 0.00 0.00 0.00 0.00 47.33 45.46 2yu6 h GLY 81 CO 0.32 0.84 -0.53 -0.56 0.00 0.00 0.00 176.54 176.61 2yu6 s SER 82 N -7.15 5.52 0.46 0.19 0.01 -1.26 -4.95 113.70 106.51 2yu6 s SER 82 Ca -0.17 -1.31 0.13 0.00 1.31 0.00 0.00 55.95 55.91 2yu6 s SER 82 Cb 0.06 -1.94 1.06 0.00 0.21 0.00 0.00 66.02 65.41 2yu6 s SER 82 CO 0.83 -0.44 2.06 0.00 0.41 0.00 0.00 173.24 176.10 2yu6 h ALA 83 N 8.33 1.94 -0.07 1.44 0.00 -1.99 -3.37 119.26 125.54 2yu6 h ALA 83 Ca -0.23 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 2yu6 h ALA 83 Cb 1.08 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.80 2yu6 h ALA 83 CO 0.68 0.00 0.10 0.41 0.00 0.00 0.00 179.25 180.44 2yu6 n GLY 84 N -1.52 -0.41 3.31 0.00 0.00 -1.26 -4.79 105.19 100.52 2yu6 n GLY 84 Ca 0.04 0.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 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 16.16 0.92 -0.42 0.99 1.43 -1.26 -4.85 118.68 131.64 2yu6 s LEU 85 Ca 0.79 -1.24 0.02 0.00 -1.03 0.00 0.00 54.13 52.67 2yu6 s LEU 85 Cb -0.04 0.80 0.24 0.00 0.03 0.00 0.00 46.19 47.22 2yu6 s LEU 85 CO 0.19 -0.93 1.02 0.61 0.23 0.00 0.00 176.35 177.48 2yu6 n GLY 86 N -0.30 -0.85 0.00 -3.19 0.00 -1.26 -5.05 105.19 94.54 2yu6 n GLY 86 Ca 0.01 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.63 2yu6 n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yu6 n GLY 87 N 1.82 2.51 3.85 -0.02 0.00 -1.26 -4.88 105.19 107.20 2yu6 n GLY 87 Ca 0.07 -0.83 -0.26 0.00 0.00 0.00 0.00 46.02 45.00 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 4.74 0.03 1.61 1.01 -0.60 -4.58 120.40 122.62 2yu6 s VAL 88 Ca 0.00 -0.99 -0.00 0.00 0.00 0.00 0.00 61.98 60.99 2yu6 s VAL 88 Cb 0.00 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 2yu6 s VAL 88 CO 0.00 -0.12 -0.03 0.72 0.00 0.00 0.00 175.10 175.66 2yu6 s PHE 89 N -1.78 0.37 0.74 5.22 -0.71 -1.15 -3.45 117.98 117.22 2yu6 s PHE 89 Ca 0.32 -0.71 -0.11 0.00 -1.04 0.00 0.00 56.93 55.38 2yu6 s PHE 89 Cb -0.10 -0.27 0.03 0.00 -1.21 0.00 0.00 43.02 41.47 2yu6 s PHE 89 CO 0.25 -0.25 1.10 0.15 -1.34 0.00 0.00 175.22 175.13 2yu6 s LYS 90 N -2.31 2.58 -0.14 1.99 1.02 -1.26 -0.60 119.74 121.02 2yu6 s LYS 90 Ca -0.08 0.49 -0.10 0.00 0.02 0.00 0.00 55.97 56.30 2yu6 s LYS 90 Cb -0.04 -1.99 0.04 0.00 -0.52 0.00 0.00 37.83 35.33 2yu6 s LYS 90 CO -0.04 -1.24 0.35 0.14 -0.92 0.00 0.00 175.35 173.64 2yu6 s VAL 91 N -3.31 -0.02 -0.54 3.17 -7.23 -0.72 -3.70 120.40 108.05 2yu6 s VAL 91 Ca 0.59 0.06 -0.20 0.00 -1.81 0.00 0.00 61.98 60.62 2yu6 s VAL 91 Cb -0.12 -0.51 0.07 0.00 0.56 0.00 0.00 36.38 36.37 2yu6 s VAL 91 CO 0.52 0.02 0.69 -0.70 -0.31 0.00 0.00 175.10 175.33 2yu6 s GLU 92 N 0.78 3.12 0.13 4.82 2.56 -0.71 -4.74 118.70 124.66 2yu6 s GLU 92 Ca -0.05 -0.92 -0.30 0.00 0.00 0.00 0.00 54.97 53.70 2yu6 s GLU 92 Cb -0.06 -4.14 -0.07 0.00 2.00 0.00 0.00 34.13 31.86 2yu6 s GLU 92 CO -0.05 -1.34 1.24 -1.58 -0.56 0.00 0.00 175.26 172.96 2yu6 s TRP 93 N 2.84 3.39 -0.08 5.30 0.52 -1.26 -1.51 118.94 128.14 2yu6 s TRP 93 Ca 0.16 1.29 -0.11 0.00 0.02 0.00 0.00 56.10 57.46 2yu6 s TRP 93 Cb -0.19 -3.48 -0.04 0.00 -1.15 0.00 0.00 33.47 28.61 2yu6 s TRP 93 CO 0.11 -1.46 -0.21 -0.89 0.02 0.00 0.00 176.95 174.52 2yu6 n ILE 94 N 3.30 1.29 -4.30 2.03 -0.00 -1.23 -4.99 119.36 115.45 2yu6 n ILE 94 Ca 0.07 0.24 -0.25 0.00 -0.00 0.00 0.00 62.75 62.82 2yu6 n ILE 94 Cb 0.45 -2.03 -0.17 0.00 -0.00 0.00 0.00 39.64 37.89 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 -2.47 1.50 -0.36 0.38 1.81 -1.26 -5.01 118.95 113.54 2yu6 s ARG 95 Ca -0.18 -0.31 0.07 0.00 -1.72 0.00 0.00 55.73 53.60 2yu6 s ARG 95 Cb 0.02 -1.38 0.60 0.00 -0.45 0.00 0.00 34.95 33.75 2yu6 s ARG 95 CO 0.26 -0.09 1.70 1.63 -0.68 0.00 0.00 175.30 178.12 2yu6 n LYS 96 N 4.23 2.28 -3.09 3.54 4.01 -1.26 -3.81 118.16 124.05 2yu6 n LYS 96 Ca -0.20 -3.09 -0.33 0.00 -0.51 0.00 0.00 58.31 54.19 2yu6 n LYS 96 Cb 0.51 -2.02 -0.06 0.00 -0.51 0.00 0.00 35.03 32.95 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 -3.22 4.07 -0.57 1.97 2.56 -1.26 -4.91 118.70 117.34 2yu6 s GLU 97 Ca 0.51 0.75 -0.21 0.00 0.00 0.00 0.00 54.97 56.03 2yu6 s GLU 97 Cb 0.44 -2.46 0.07 0.00 2.00 0.00 0.00 34.13 34.18 2yu6 s GLU 97 CO 0.06 0.16 0.78 -1.12 -0.56 0.00 0.00 175.26 174.58 2yu6 s SER 98 N -2.18 6.22 -0.18 -1.70 0.01 -1.26 -4.16 113.70 110.45 2yu6 s SER 98 Ca 0.54 -0.95 -0.18 0.00 1.31 0.00 0.00 55.95 56.67 2yu6 s SER 98 Cb -0.11 -2.35 -0.04 0.00 0.21 0.00 0.00 66.02 63.74 2yu6 s SER 98 CO 0.17 -1.13 0.49 -0.22 0.41 0.00 0.00 173.24 172.97 2yu6 s LEU 99 N 3.20 4.18 0.16 2.44 2.96 -1.20 -4.83 118.68 125.58 2yu6 s LEU 99 Ca 0.19 0.69 -0.31 0.00 -0.22 0.00 0.00 54.13 54.48 2yu6 s LEU 99 Cb -0.19 -2.68 -0.08 0.00 0.50 0.00 0.00 46.19 43.74 2yu6 s LEU 99 CO 0.11 -0.12 1.33 -2.16 -1.32 0.00 0.00 176.35 174.20 2yu6 s PRO 100 N 1.32 4.36 0.31 0.98 0.04 -1.26 -1.09 135.00 139.67 2yu6 s PRO 100 Ca 0.24 2.04 0.07 0.00 0.04 0.00 0.00 61.00 63.39 2yu6 s PRO 100 Cb -0.15 -3.23 0.87 0.00 0.04 0.00 0.00 34.50 32.03 2yu6 s PRO 100 CO 0.10 -0.33 1.64 0.74 0.04 0.00 0.00 177.00 179.19 2yu6 h PHE 101 N 6.04 0.53 -1.46 0.56 0.04 -1.94 0.28 116.94 120.99 2yu6 h PHE 101 Ca -0.43 0.05 0.48 0.00 2.80 0.00 0.00 57.97 60.86 2yu6 h PHE 101 Cb 1.21 -0.08 -0.12 0.00 2.20 0.00 0.00 35.95 39.16 2yu6 h PHE 101 CO 0.64 -0.24 0.97 0.94 -0.60 0.00 0.00 178.31 180.02 2yu6 n GLN 102 N -5.20 -0.03 -0.06 1.51 7.27 -1.26 0.20 117.38 119.82 2yu6 n GLN 102 Ca 0.26 1.17 -0.15 0.00 0.07 0.00 0.00 57.00 58.35 2yu6 n GLN 102 Cb 0.82 -2.38 -0.06 0.00 2.41 0.00 0.00 30.24 31.03 2yu6 n GLN 102 CO 0.00 0.00 0.00 0.74 0.07 0.00 0.00 177.06 177.87 2yu6 h PHE 103 N 0.00 0.81 -0.53 3.69 -1.00 -0.80 -3.12 116.94 115.99 2yu6 h PHE 103 Ca 0.86 -0.30 0.00 0.00 2.81 0.00 0.00 57.97 61.34 2yu6 h PHE 103 Cb 2.94 -0.15 0.00 0.00 3.61 0.00 0.00 35.95 42.35 2yu6 h PHE 103 CO -0.00 1.06 0.00 0.00 -1.61 0.00 0.00 178.31 177.76 2yu6 n ALA 104 N -2.53 3.74 0.20 2.45 0.00 0.54 -4.27 120.51 120.64 2yu6 n ALA 104 Ca -0.06 -1.73 0.08 0.00 0.00 0.00 0.00 53.44 51.73 2yu6 n ALA 104 Cb 0.55 -1.11 0.28 0.00 0.00 0.00 0.00 19.45 19.16 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 3.64 0.00 0.00 0.00 6.17 0.23 -3.14 115.15 122.04 2yu6 h HIS 105 Ca 0.00 0.00 -0.23 0.00 0.71 0.00 0.00 60.37 60.85 2yu6 h HIS 105 Cb 1.83 0.00 -0.04 0.00 2.52 0.00 0.00 27.41 31.73 2yu6 h HIS 105 CO 0.99 0.27 -1.28 1.12 0.71 0.00 0.00 177.93 179.74 2yu6 h HIS 106 N 0.00 0.00 -3.90 5.26 2.07 -1.79 -3.46 115.15 113.33 2yu6 h HIS 106 Ca -0.00 0.00 -0.49 0.00 -2.85 0.00 0.00 60.37 57.03 2yu6 h HIS 106 Cb 0.99 0.00 0.02 0.00 2.57 0.00 0.00 27.41 30.99 2yu6 h HIS 106 CO 0.00 0.92 0.43 -0.51 -3.07 0.00 0.00 177.93 175.70 2yu6 s LEU 107 N -6.35 4.29 0.00 6.12 1.43 -1.19 -5.05 118.68 117.93 2yu6 s LEU 107 Ca -0.01 2.10 0.07 0.00 -1.03 0.00 0.00 54.13 55.26 2yu6 s LEU 107 Cb 0.09 -3.98 -0.03 0.00 0.03 0.00 0.00 46.19 42.30 2yu6 s LEU 107 CO 0.82 -0.35 0.27 0.18 0.23 0.00 0.00 176.35 177.50 2yu6 n LEU 108 N 0.40 0.00 -3.84 1.79 4.77 -1.26 -3.11 117.00 115.75 2yu6 n LEU 108 Ca 0.03 -3.04 -0.29 0.00 -0.03 0.00 0.00 56.01 52.67 2yu6 n LEU 108 Cb 0.48 1.61 -0.16 0.00 -2.33 0.00 0.00 43.42 43.03 2yu6 n LEU 108 CO 0.48 -0.51 -0.39 0.21 -1.33 0.00 0.00 177.39 175.85 2yu6 s ASN 109 N -3.24 3.53 0.00 -1.43 2.47 0.18 -4.58 114.94 111.88 2yu6 s ASN 109 Ca 0.38 -1.11 0.15 0.00 0.42 0.00 0.00 52.86 52.71 2yu6 s ASN 109 Cb 0.02 -0.94 0.90 0.00 -1.45 0.00 0.00 41.25 39.78 2yu6 s ASN 109 CO 0.27 -0.28 1.36 -0.81 -3.72 0.00 0.00 177.10 173.92 2yu6 n PRO 110 N 4.82 0.44 -0.03 0.43 -0.04 -1.26 -1.42 135.00 137.94 2yu6 n PRO 110 Ca -0.09 0.03 -0.14 0.00 -0.04 0.00 0.00 63.50 63.26 2yu6 n PRO 110 Cb 0.45 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.27 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 -1.05 0.87 -2.58 0.54 7.02 -1.26 -4.17 117.44 116.80 2yu6 n TRP 111 Ca 0.11 0.26 -0.39 0.00 -1.02 0.00 0.00 57.50 56.45 2yu6 n TRP 111 Cb 0.07 -1.14 0.02 0.00 -2.42 0.00 0.00 31.31 27.83 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 -3.16 7.01 -3.50 -0.99 5.15 -1.03 -4.76 115.26 113.98 2yu6 n ASN 112 Ca -0.26 -3.71 -0.23 0.00 -0.60 0.00 0.00 54.58 49.78 2yu6 n ASN 112 Cb 1.06 -1.07 0.08 0.00 -0.53 0.00 0.00 39.78 39.31 2yu6 n ASN 112 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2yu6 n ASP 113 N -0.15 -6.31 -2.72 1.20 -0.08 -1.26 -1.68 116.55 105.54 2yu6 n ASP 113 Ca 0.46 -0.51 -0.16 0.00 -1.51 0.00 0.00 54.79 53.07 2yu6 n ASP 113 Cb 0.28 -4.96 -0.00 0.00 2.34 0.00 0.00 41.12 38.78 2yu6 n ASP 113 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2yu6 n ASN 114 N -2.90 -3.99 -4.84 1.67 4.13 -0.50 -4.93 115.26 103.90 2yu6 n ASN 114 Ca 0.00 0.01 -0.32 0.00 1.68 0.00 0.00 54.58 55.95 2yu6 n ASN 114 Cb 0.56 -3.35 -0.06 0.00 -1.54 0.00 0.00 39.78 35.39 2yu6 n ASN 114 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2yu6 s LYS 115 N -5.33 4.08 0.46 3.52 -0.14 -0.68 -4.51 119.74 117.14 2yu6 s LYS 115 Ca 0.13 0.91 -0.24 0.00 -1.36 0.00 0.00 55.97 55.40 2yu6 s LYS 115 Cb -0.06 -2.27 -0.09 0.00 -1.68 0.00 0.00 37.83 33.73 2yu6 s LYS 115 CO 0.16 -0.01 1.18 1.17 -0.76 0.00 0.00 175.35 177.09 2yu6 n LYS 116 N -0.74 1.64 -0.31 1.68 4.81 -1.26 0.52 118.16 124.51 2yu6 n LYS 116 Ca 0.05 0.59 0.14 0.00 -0.87 0.00 0.00 58.31 58.22 2yu6 n LYS 116 Cb 0.54 -2.30 0.31 0.00 0.02 0.00 0.00 35.03 33.60 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 1.69 0.45 -0.08 3.15 2.07 -1.79 0.76 116.25 122.51 2yu6 h VAL 117 Ca -0.47 -0.13 0.02 0.00 0.82 0.00 0.00 66.70 66.94 2yu6 h VAL 117 Cb 1.31 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 2yu6 h VAL 117 CO 0.58 0.07 0.07 0.06 0.02 0.00 0.00 177.57 178.37 2yu6 h GLN 118 N 0.38 0.00 -4.32 1.57 -0.00 -1.86 -3.28 115.11 107.60 2yu6 h GLN 118 Ca 0.57 0.00 -0.71 0.00 -0.00 0.00 0.00 58.65 58.51 2yu6 h GLN 118 Cb 1.09 0.00 -0.06 0.00 -0.00 0.00 0.00 27.48 28.51 2yu6 h GLN 118 CO -0.54 0.00 2.86 -0.89 -0.00 0.00 0.00 178.83 180.26 2yu6 n ILE 119 N -4.21 3.62 -3.69 1.86 5.41 0.26 -4.85 119.36 117.76 2yu6 n ILE 119 Ca -0.01 -3.34 -0.11 0.00 1.00 0.00 0.00 62.75 60.30 2yu6 n ILE 119 Cb 0.17 -2.54 -0.10 0.00 -0.71 0.00 0.00 39.64 36.46 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 3.22 -0.57 0.78 4.38 0.01 -1.24 -4.76 113.70 115.51 2yu6 s SER 120 Ca 0.48 1.00 -0.07 0.00 1.31 0.00 0.00 55.95 58.67 2yu6 s SER 120 Cb 0.12 0.92 0.13 0.00 0.21 0.00 0.00 66.02 67.39 2yu6 s SER 120 CO -0.05 -0.19 1.09 -0.13 0.41 0.00 0.00 173.24 174.37 2yu6 s ARG 121 N 1.09 1.55 -0.11 12.44 0.52 -1.26 -4.85 118.95 128.33 2yu6 s ARG 121 Ca -0.07 -0.64 -0.29 0.00 -0.52 0.00 0.00 55.73 54.21 2yu6 s ARG 121 Cb -0.06 -2.14 -0.06 0.00 0.52 0.00 0.00 34.95 33.21 2yu6 s ARG 121 CO -0.10 -1.65 1.85 0.34 0.02 0.00 0.00 175.30 175.77 2yu6 s ASP 122 N -4.71 6.26 0.00 0.23 2.15 -1.26 -2.06 116.67 117.29 2yu6 s ASP 122 Ca 0.66 2.10 0.00 0.00 0.43 0.00 0.00 52.55 55.75 2yu6 s ASP 122 Cb -0.07 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.03 2yu6 s ASP 122 CO 0.47 -1.28 0.00 0.61 -0.17 0.00 0.00 175.17 174.80 2yu6 n GLY 123 N 4.75 1.07 3.60 2.66 0.00 -0.43 -4.88 105.19 111.96 2yu6 n GLY 123 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.34 3.97 0.61 1.61 -1.52 -0.87 -4.93 119.66 118.19 2yu6 s GLN 124 Ca 0.00 0.00 -0.18 0.00 -1.95 0.00 0.00 55.36 53.24 2yu6 s GLN 124 Cb 0.00 -3.67 -0.03 0.00 -0.22 0.00 0.00 33.01 29.09 2yu6 s GLN 124 CO 0.00 -0.31 1.17 -1.83 -0.25 0.00 0.00 175.29 174.07 2yu6 s GLU 125 N 2.08 2.93 0.04 2.91 1.03 -1.26 -0.55 118.70 125.89 2yu6 s GLU 125 Ca 0.15 1.69 0.06 0.00 0.03 0.00 0.00 54.97 56.90 2yu6 s GLU 125 Cb -0.16 -1.94 -0.02 0.00 -0.80 0.00 0.00 34.13 31.21 2yu6 s GLU 125 CO 0.10 -1.20 -0.18 -1.17 -1.33 0.00 0.00 175.26 171.48 2yu6 s LEU 126 N -4.28 2.17 0.34 1.83 2.96 0.12 -4.80 118.68 117.02 2yu6 s LEU 126 Ca 0.74 -0.51 -0.29 0.00 -0.22 0.00 0.00 54.13 53.86 2yu6 s LEU 126 Cb -0.27 -0.84 -0.11 0.00 0.50 0.00 0.00 46.19 45.48 2yu6 s LEU 126 CO 0.34 0.11 1.40 -0.70 -1.32 0.00 0.00 176.35 176.18 2yu6 s GLU 127 N -1.19 4.24 0.00 1.98 2.12 -1.26 -4.02 118.70 120.57 2yu6 s GLU 127 Ca 0.05 2.38 0.14 0.00 0.36 0.00 0.00 54.97 57.91 2yu6 s GLU 127 Cb -0.08 -3.03 0.61 0.00 0.26 0.00 0.00 34.13 31.89 2yu6 s GLU 127 CO 0.02 -0.36 1.45 -0.35 -0.54 0.00 0.00 175.26 175.48 2yu6 n PRO 128 N 0.78 0.01 0.03 4.30 -0.04 -1.26 0.02 135.00 138.84 2yu6 n PRO 128 Ca 0.01 0.25 -0.21 0.00 -0.04 0.00 0.00 63.50 63.52 2yu6 n PRO 128 Cb 0.40 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.22 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 0.29 0.00 0.54 -0.00 -1.97 -3.29 115.11 110.67 2yu6 h GLN 129 Ca 0.00 -0.49 -0.20 0.00 -0.00 0.00 0.00 58.65 57.96 2yu6 h GLN 129 Cb 0.24 0.18 -0.04 0.00 0.00 0.00 0.00 27.48 27.87 2yu6 h GLN 129 CO 0.00 1.19 -1.77 1.33 0.00 0.00 0.00 178.83 179.58 2yu6 n VAL 130 N -3.48 1.10 0.20 2.39 0.24 -1.11 -3.90 118.33 113.76 2yu6 n VAL 130 Ca -0.27 -0.71 0.06 0.00 -2.04 0.00 0.00 64.34 61.38 2yu6 n VAL 130 Cb 1.06 -0.58 0.37 0.00 -1.47 0.00 0.00 33.84 33.21 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 3.81 0.00 0.25 7.63 0.00 -0.59 -2.53 103.07 111.64 2yu6 h GLY 131 Ca -0.25 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.03 2yu6 h GLY 131 CO 0.04 0.00 -0.22 1.05 0.00 0.00 0.00 176.54 177.41 2yu6 h GLU 132 N 0.00 0.10 0.00 4.80 4.11 -1.72 -3.21 114.58 118.66 2yu6 h GLU 132 Ca -0.00 -0.14 0.00 0.00 0.07 0.00 0.00 59.36 59.29 2yu6 h GLU 132 Cb 0.85 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.15 2yu6 h GLU 132 CO 0.04 1.01 0.00 0.00 0.07 0.00 0.00 179.01 180.14 2yu6 n GLN 133 N -4.50 0.02 0.03 1.06 10.64 -1.23 -2.23 117.38 121.19 2yu6 n GLN 133 Ca -0.11 0.25 -0.10 0.00 -1.83 0.00 0.00 57.00 55.21 2yu6 n GLN 133 Cb 0.55 -1.50 -0.13 0.00 -0.86 0.00 0.00 30.24 28.29 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 0.12 0.01 2.61 5.85 -1.48 -3.35 115.31 119.07 2yu6 h LEU 134 Ca 0.00 -0.16 -0.14 0.00 0.84 0.00 0.00 57.88 58.42 2yu6 h LEU 134 Cb 0.22 -0.04 0.01 0.00 0.37 0.00 0.00 40.66 41.23 2yu6 h LEU 134 CO 0.00 1.14 -0.54 -0.07 -0.34 0.00 0.00 178.44 178.63 2yu6 h LEU 135 N 0.02 0.45 -1.77 2.25 3.38 -1.45 -3.20 115.31 115.00 2yu6 h LEU 135 Ca -0.17 -0.78 0.14 0.00 0.09 0.00 0.00 57.88 57.16 2yu6 h LEU 135 Cb 1.92 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 42.51 2yu6 h LEU 135 CO 0.12 1.18 0.60 0.06 0.09 0.00 0.00 178.44 180.49 2yu6 h GLN 136 N -0.22 0.00 -0.97 1.13 -0.00 -1.68 0.78 115.11 114.14 2yu6 h GLN 136 Ca -0.07 0.00 0.15 0.00 -0.00 0.00 0.00 58.65 58.72 2yu6 h GLN 136 Cb 1.27 0.00 -0.09 0.00 -0.00 0.00 0.00 27.48 28.67 2yu6 h GLN 136 CO 0.11 0.00 0.61 -0.07 -0.00 0.00 0.00 178.83 179.48 2yu6 h LEU 137 N 0.00 0.81 -2.39 0.06 3.38 -1.68 0.25 115.31 115.74 2yu6 h LEU 137 Ca 0.23 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.28 2yu6 h LEU 137 Cb 1.42 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 42.07 2yu6 h LEU 137 CO -0.00 0.39 0.16 -0.50 0.09 0.00 0.00 178.44 178.58 2yu6 h TRP 138 N 0.85 0.00 0.00 1.13 6.55 -1.05 0.26 115.95 123.69 2yu6 h TRP 138 Ca 0.50 0.00 -0.04 0.00 0.95 0.00 0.00 58.89 60.31 2yu6 h TRP 138 Cb 0.67 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.96 2yu6 h TRP 138 CO -0.00 0.00 -0.17 0.93 -1.05 0.00 0.00 178.44 178.14 2yu6 h GLU 139 N 0.00 0.00 0.00 0.49 5.08 -0.65 -3.03 114.58 116.47 2yu6 h GLU 139 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2yu6 h GLU 139 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2yu6 h GLU 139 CO -0.00 0.17 0.00 0.00 -1.00 0.00 0.00 179.01 178.18 2yu6 h ARG 140 N 0.00 0.00 0.00 2.33 3.08 -0.51 -3.53 114.38 115.75 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 0.99 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.04 2yu6 h ARG 140 CO 0.02 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.20