#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yu6 n SER 2 N 0.00 2.79 -4.68 1.61 3.41 -1.26 -5.08 113.62 110.41 2yu6 n SER 2 Ca 0.00 -2.74 -0.42 0.00 -0.26 0.00 0.00 58.87 55.45 2yu6 n SER 2 Cb 0.00 -0.44 -0.03 0.00 -0.26 0.00 0.00 64.21 63.48 2yu6 n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2yu6 s SER 3 N -3.65 6.74 0.00 4.04 0.15 -1.26 -4.89 113.70 114.83 2yu6 s SER 3 Ca 0.36 2.25 0.00 0.00 0.70 0.00 0.00 55.95 59.26 2yu6 s SER 3 Cb 0.37 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 62.12 2yu6 s SER 3 CO -0.02 -0.81 0.00 0.61 1.20 0.00 0.00 173.24 174.23 2yu6 n GLY 4 N 3.83 2.98 3.47 9.45 0.00 -1.26 -5.17 105.19 118.48 2yu6 n GLY 4 Ca 0.15 -0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 2.00 -0.71 -0.02 1.61 1.04 -1.26 -5.17 113.70 111.20 2yu6 s SER 5 Ca 0.00 1.21 -0.09 0.00 0.48 0.00 0.00 55.95 57.55 2yu6 s SER 5 Cb 0.00 1.12 0.01 0.00 0.10 0.00 0.00 66.02 67.25 2yu6 s SER 5 CO 0.00 -0.21 0.18 -0.44 0.98 0.00 0.00 173.24 173.75 2yu6 s SER 6 N 1.20 -0.06 -0.07 7.02 0.01 -1.26 -5.06 113.70 115.48 2yu6 s SER 6 Ca -0.07 -0.03 -0.30 0.00 1.31 0.00 0.00 55.95 56.86 2yu6 s SER 6 Cb -0.06 0.27 0.10 0.00 0.21 0.00 0.00 66.02 66.54 2yu6 s SER 6 CO -0.12 -0.33 0.85 -0.83 0.41 0.00 0.00 173.24 173.22 2yu6 s GLY 7 N -1.09 -0.43 0.38 3.44 0.00 -1.26 -4.91 107.32 103.45 2yu6 s GLY 7 Ca -0.12 1.49 -0.24 0.00 0.00 0.00 0.00 44.72 45.86 2yu6 s GLY 7 CO 0.02 0.80 0.96 0.54 0.00 0.00 0.00 173.10 175.42 2yu6 s VAL 8 N -1.75 4.19 0.58 1.40 0.11 -1.26 -3.76 120.40 119.91 2yu6 s VAL 8 Ca -0.03 1.61 0.08 0.00 -2.93 0.00 0.00 61.98 60.70 2yu6 s VAL 8 Cb -0.00 -3.79 0.08 0.00 -1.53 0.00 0.00 36.38 31.13 2yu6 s VAL 8 CO 0.01 -0.06 0.64 -0.13 -3.33 0.00 0.00 175.10 172.23 2yu6 s ARG 9 N -2.57 2.23 -0.00 1.54 0.52 -1.13 -4.88 118.95 114.65 2yu6 s ARG 9 Ca 0.56 -1.87 0.01 0.00 -0.52 0.00 0.00 55.73 53.91 2yu6 s ARG 9 Cb -0.15 -2.38 -0.00 0.00 0.52 0.00 0.00 34.95 32.93 2yu6 s ARG 9 CO 0.20 -0.84 -0.03 0.71 0.02 0.00 0.00 175.30 175.37 2yu6 s TYR 10 N -2.76 0.29 -0.09 -0.53 1.51 -1.25 -1.04 117.35 113.48 2yu6 s TYR 10 Ca 0.49 -0.05 -0.04 0.00 -1.01 0.00 0.00 57.07 56.46 2yu6 s TYR 10 Cb -0.04 -0.20 0.05 0.00 -0.11 0.00 0.00 41.96 41.66 2yu6 s TYR 10 CO 0.31 -0.01 0.19 -0.06 -1.11 0.00 0.00 175.55 174.87 2yu6 s PHE 11 N -0.02 -0.25 -0.25 2.71 0.08 -0.37 -0.09 117.98 119.80 2yu6 s PHE 11 Ca 0.01 0.66 -0.23 0.00 0.12 0.00 0.00 56.93 57.48 2yu6 s PHE 11 Cb -0.02 -0.06 -0.01 0.00 -0.57 0.00 0.00 43.02 42.36 2yu6 s PHE 11 CO -0.00 -0.22 0.74 0.42 -0.10 0.00 0.00 175.22 176.06 2yu6 s ILE 12 N 1.50 4.90 -0.29 0.64 -1.09 -0.29 -1.46 121.20 125.11 2yu6 s ILE 12 Ca -0.06 1.38 -0.02 0.00 -2.23 0.00 0.00 60.65 59.72 2yu6 s ILE 12 Cb -0.11 -4.04 0.04 0.00 -1.58 0.00 0.00 42.46 36.77 2yu6 s ILE 12 CO -0.07 -0.03 -0.00 -0.04 -1.23 0.00 0.00 174.94 173.57 2yu6 s MET 13 N 2.69 2.56 0.20 2.79 -1.94 0.06 -2.03 119.30 123.62 2yu6 s MET 13 Ca 0.31 -1.18 -0.13 0.00 -1.71 0.00 0.00 55.69 52.98 2yu6 s MET 13 Cb -0.15 -3.17 -0.07 0.00 2.01 0.00 0.00 34.83 33.44 2yu6 s MET 13 CO 0.08 -0.57 0.58 0.15 -0.01 0.00 0.00 175.02 175.24 2yu6 s LYS 14 N 1.29 3.93 0.31 2.03 -0.14 -1.26 -2.31 119.74 123.60 2yu6 s LYS 14 Ca -0.03 0.45 0.09 0.00 -1.36 0.00 0.00 55.97 55.12 2yu6 s LYS 14 Cb -0.19 -2.78 -0.06 0.00 -1.68 0.00 0.00 37.83 33.12 2yu6 s LYS 14 CO -0.01 0.39 -0.10 0.45 -0.76 0.00 0.00 175.35 175.31 2yu6 s SER 15 N -1.99 3.34 -0.04 2.83 0.15 -1.14 -4.88 113.70 111.97 2yu6 s SER 15 Ca 0.43 -1.16 -0.13 0.00 0.70 0.00 0.00 55.95 55.78 2yu6 s SER 15 Cb -0.13 -0.27 -0.31 0.00 -1.71 0.00 0.00 66.02 63.59 2yu6 s SER 15 CO 0.20 -0.21 0.72 0.28 1.20 0.00 0.00 173.24 175.43 2yu6 h SER 16 N 2.17 0.61 -5.18 5.45 0.02 -1.96 -2.13 113.55 112.53 2yu6 h SER 16 Ca -0.41 -0.92 -0.29 0.00 -0.84 0.00 0.00 61.79 59.33 2yu6 h SER 16 Cb 1.24 -0.20 -0.15 0.00 0.14 0.00 0.00 62.40 63.44 2yu6 h SER 16 CO 0.67 1.73 -0.61 0.21 -1.14 0.00 0.00 176.83 177.69 2yu6 s ASN 17 N -7.29 0.61 -0.07 3.07 2.47 -1.26 -4.63 114.94 107.84 2yu6 s ASN 17 Ca -0.15 -1.40 -0.25 0.00 0.42 0.00 0.00 52.86 51.47 2yu6 s ASN 17 Cb 0.05 0.31 -0.24 0.00 -1.45 0.00 0.00 41.25 39.91 2yu6 s ASN 17 CO 0.85 -0.81 0.97 0.25 -3.72 0.00 0.00 177.10 174.65 2yu6 h LEU 18 N 2.51 0.17 -0.85 3.21 7.12 -1.98 -3.34 115.31 122.14 2yu6 h LEU 18 Ca -0.36 -0.82 0.12 0.00 0.13 0.00 0.00 57.88 56.95 2yu6 h LEU 18 Cb 1.25 -0.05 -0.14 0.00 -0.53 0.00 0.00 40.66 41.19 2yu6 h LEU 18 CO 0.55 0.97 -0.42 -0.09 -0.13 0.00 0.00 178.44 179.32 2yu6 h ARG 19 N -0.62 -0.07 -1.24 1.25 9.65 -2.00 1.03 114.38 122.39 2yu6 h ARG 19 Ca -0.03 0.00 0.36 0.00 -1.10 0.00 0.00 59.98 59.21 2yu6 h ARG 19 Cb 1.01 0.02 -0.08 0.00 -1.39 0.00 0.00 29.97 29.53 2yu6 h ARG 19 CO 0.04 -0.05 0.85 -0.91 2.80 0.00 0.00 179.97 182.71 2yu6 h ASN 20 N -0.07 0.17 0.57 -3.80 2.35 -2.00 0.92 115.58 113.71 2yu6 h ASN 20 Ca 0.27 0.05 -0.20 0.00 -0.55 0.00 0.00 56.30 55.86 2yu6 h ASN 20 Cb 0.56 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.94 2yu6 h ASN 20 CO -0.88 -0.00 -0.89 0.25 -1.65 0.00 0.00 177.43 174.26 2yu6 h LEU 21 N 0.13 0.28 -2.04 1.61 5.85 0.95 -3.16 115.31 118.93 2yu6 h LEU 21 Ca 0.65 -0.23 0.12 0.00 0.84 0.00 0.00 57.88 59.26 2yu6 h LEU 21 Cb 2.23 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 43.16 2yu6 h LEU 21 CO -0.16 1.03 0.37 -0.33 -0.34 0.00 0.00 178.44 179.01 2yu6 h GLU 22 N 0.12 0.00 -0.21 1.25 5.08 0.17 0.14 114.58 121.13 2yu6 h GLU 22 Ca -0.05 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 2yu6 h GLU 22 Cb 1.52 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.76 2yu6 h GLU 22 CO 0.14 0.00 -0.19 0.82 -1.00 0.00 0.00 179.01 178.78 2yu6 h ILE 23 N 0.00 1.23 0.00 3.13 5.03 -1.50 -0.69 117.51 124.72 2yu6 h ILE 23 Ca 0.19 -1.06 -0.01 0.00 -0.12 0.00 0.00 64.86 63.86 2yu6 h ILE 23 Cb 0.92 1.29 -0.00 0.00 -3.03 0.00 0.00 36.82 36.00 2yu6 h ILE 23 CO -0.00 0.33 -0.07 -1.28 -0.68 0.00 0.00 178.15 176.45 2yu6 h SER 24 N 0.33 0.00 0.29 1.72 0.87 -0.70 0.47 113.55 116.53 2yu6 h SER 24 Ca 0.06 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.28 2yu6 h SER 24 Cb 0.53 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.48 2yu6 h SER 24 CO 0.03 0.07 -1.72 1.56 -0.53 0.00 0.00 176.83 176.24 2yu6 h GLN 25 N 0.00 0.29 0.00 2.24 4.20 -1.22 -2.99 115.11 117.63 2yu6 h GLN 25 Ca -0.00 -0.49 0.00 0.00 0.06 0.00 0.00 58.65 58.22 2yu6 h GLN 25 Cb 0.93 0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.89 2yu6 h GLN 25 CO 0.01 1.16 -0.34 1.96 -0.67 0.00 0.00 178.83 180.95 2yu6 h GLN 26 N 0.08 0.00 -0.25 1.46 1.08 -1.18 -3.39 115.11 112.92 2yu6 h GLN 26 Ca -0.32 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 56.84 2yu6 h GLN 26 Cb 2.05 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 29.47 2yu6 h GLN 26 CO 0.15 0.00 -0.02 0.87 -0.95 0.00 0.00 178.83 178.88 2yu6 h LYS 27 N -0.72 0.37 0.00 1.46 1.79 -1.12 -3.47 116.57 114.88 2yu6 h LYS 27 Ca 0.00 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 2yu6 h LYS 27 Cb 0.34 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 2yu6 h LYS 27 CO 0.00 0.42 0.00 0.41 -1.08 0.00 0.00 179.45 179.20 2yu6 n GLY 28 N -1.00 0.48 3.13 3.86 0.00 -1.04 -5.00 105.19 105.62 2yu6 n GLY 28 Ca 0.00 -0.88 -0.09 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 0.14 -0.01 -0.61 -5.25 -1.25 -1.95 121.20 110.27 2yu6 s ILE 29 Ca 0.00 -1.86 -0.10 0.00 -0.99 0.00 0.00 60.65 57.69 2yu6 s ILE 29 Cb 0.00 -1.87 0.01 0.00 2.95 0.00 0.00 42.46 43.55 2yu6 s ILE 29 CO 0.00 -0.64 0.21 0.86 -1.79 0.00 0.00 174.94 173.58 2yu6 s TRP 30 N -4.00 -0.06 -0.21 1.37 -0.11 0.10 -3.29 118.94 112.74 2yu6 s TRP 30 Ca 0.18 0.06 -0.02 0.00 1.22 0.00 0.00 56.10 57.54 2yu6 s TRP 30 Cb 0.08 0.01 0.06 0.00 -1.50 0.00 0.00 33.47 32.12 2yu6 s TRP 30 CO -0.02 -0.32 0.01 -1.54 -4.62 0.00 0.00 176.95 170.46 2yu6 s SER 31 N -1.29 3.16 0.44 5.86 1.04 -1.26 -1.46 113.70 120.19 2yu6 s SER 31 Ca -0.14 -0.92 0.08 0.00 0.48 0.00 0.00 55.95 55.45 2yu6 s SER 31 Cb -0.06 -0.74 -0.01 0.00 0.10 0.00 0.00 66.02 65.31 2yu6 s SER 31 CO 0.03 -0.29 0.42 0.28 0.98 0.00 0.00 173.24 174.65 2yu6 s THR 32 N 1.74 2.52 0.40 2.02 -1.32 -1.26 -5.00 115.64 114.75 2yu6 s THR 32 Ca -0.02 -1.32 -0.26 0.00 -1.21 0.00 0.00 61.69 58.88 2yu6 s THR 32 Cb -0.18 -2.84 -0.10 0.00 -1.51 0.00 0.00 72.50 67.87 2yu6 s THR 32 CO -0.08 0.00 1.35 1.07 -2.21 0.00 0.00 174.62 174.75 2yu6 n THR 33 N -1.64 2.40 0.97 5.08 5.66 -1.26 -4.56 114.28 120.94 2yu6 n THR 33 Ca 0.04 -0.50 0.05 0.00 -3.05 0.00 0.00 64.05 60.59 2yu6 n THR 33 Cb 0.62 -1.70 0.31 0.00 -1.55 0.00 0.00 70.33 68.01 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 0.16 0.49 0.03 1.09 -0.04 -1.26 -2.07 135.00 133.39 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 -1.34 0.02 0.00 -0.04 0.00 0.00 33.50 32.53 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 -0.84 0.60 -0.23 3.54 7.64 -1.26 -4.12 113.62 118.95 2yu6 n SER 35 Ca 0.08 -0.15 0.08 0.00 1.01 0.00 0.00 58.87 59.88 2yu6 n SER 35 Cb 0.04 0.81 0.12 0.00 -1.01 0.00 0.00 64.21 64.16 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 -2.04 1.82 -0.04 6.43 3.02 -0.88 -4.73 115.26 118.84 2yu6 n ASN 36 Ca 0.02 -2.93 -0.22 0.00 -0.03 0.00 0.00 54.58 51.42 2yu6 n ASN 36 Cb 0.45 -0.39 -0.13 0.00 -0.61 0.00 0.00 39.78 39.10 2yu6 n ASN 36 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2yu6 n GLU 37 N -1.09 0.69 -0.49 3.52 1.02 -1.21 -3.95 120.64 119.13 2yu6 n GLU 37 Ca 0.13 0.37 0.40 0.00 -0.02 0.00 0.00 57.16 58.04 2yu6 n GLU 37 Cb 0.67 -1.72 0.66 0.00 -0.02 0.00 0.00 31.44 31.03 2yu6 n GLU 37 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 2yu6 n ARG 38 N -3.83 -0.03 -0.03 3.49 1.85 -1.26 0.41 116.66 117.26 2yu6 n ARG 38 Ca -0.33 1.15 -0.10 0.00 -1.00 0.00 0.00 57.85 57.57 2yu6 n ARG 38 Cb 0.91 -2.32 -0.09 0.00 -1.05 0.00 0.00 32.46 29.91 2yu6 n ARG 38 CO 0.00 0.00 0.00 1.57 -0.01 0.00 0.00 177.63 179.19 2yu6 h LYS 39 N 0.00 -0.06 -0.97 2.89 2.10 -1.93 -1.30 116.57 117.30 2yu6 h LYS 39 Ca 0.84 0.00 0.12 0.00 -2.00 0.00 0.00 60.65 59.61 2yu6 h LYS 39 Cb 2.83 0.01 -0.08 0.00 -0.90 0.00 0.00 32.23 34.09 2yu6 h LYS 39 CO -0.36 0.54 0.62 -0.07 -2.00 0.00 0.00 179.45 178.18 2yu6 h LEU 40 N -0.92 0.86 0.27 7.07 3.38 -0.17 0.82 115.31 126.63 2yu6 h LEU 40 Ca -0.01 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2yu6 h LEU 40 Cb 0.63 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2yu6 h LEU 40 CO 0.01 0.46 -0.13 0.78 0.09 0.00 0.00 178.44 179.65 2yu6 h ASN 41 N 0.92 -0.31 0.52 -0.43 4.21 -0.68 -2.75 115.58 117.06 2yu6 h ASN 41 Ca 0.48 0.01 -0.01 0.00 1.21 0.00 0.00 56.30 57.99 2yu6 h ASN 41 Cb 0.53 0.08 -0.02 0.00 -1.12 0.00 0.00 38.32 37.80 2yu6 h ASN 41 CO -0.25 0.10 -0.41 -0.09 -1.29 0.00 0.00 177.43 175.49 2yu6 h ARG 42 N -1.01 -0.88 -0.84 0.81 9.65 -1.09 -2.58 114.38 118.44 2yu6 h ARG 42 Ca -0.04 0.06 0.20 0.00 -1.10 0.00 0.00 59.98 59.11 2yu6 h ARG 42 Cb 0.28 0.20 -0.13 0.00 -1.39 0.00 0.00 29.97 28.93 2yu6 h ARG 42 CO 0.06 -0.58 0.25 0.00 2.80 0.00 0.00 179.97 182.49 2yu6 h ALA 43 N -0.60 1.19 -0.69 2.80 0.00 0.49 0.69 119.26 123.14 2yu6 h ALA 43 Ca -0.06 0.19 0.20 0.00 0.00 0.00 0.00 54.91 55.24 2yu6 h ALA 43 Cb 0.77 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 2yu6 h ALA 43 CO -0.00 -0.39 0.49 0.35 0.00 0.00 0.00 179.25 179.70 2yu6 h PHE 44 N 0.27 0.01 0.00 0.00 3.57 -1.14 0.59 116.94 120.24 2yu6 h PHE 44 Ca 0.51 0.00 -0.23 0.00 3.53 0.00 0.00 57.97 61.78 2yu6 h PHE 44 Cb 0.96 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.66 2yu6 h PHE 44 CO -0.24 0.00 -1.30 0.91 -2.23 0.00 0.00 178.31 175.46 2yu6 n TRP 45 N -4.33 0.90 0.28 0.41 8.01 0.21 -4.12 117.44 118.79 2yu6 n TRP 45 Ca 0.14 0.39 0.18 0.00 -1.31 0.00 0.00 57.50 56.89 2yu6 n TRP 45 Cb 0.76 -1.05 0.92 0.00 -2.01 0.00 0.00 31.31 29.93 2yu6 n TRP 45 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.69 177.61 2yu6 h GLU 46 N -1.00 0.00 -5.51 -0.99 5.08 -0.36 -3.43 114.58 108.37 2yu6 h GLU 46 Ca -0.34 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.51 2yu6 h GLU 46 Cb 1.24 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.35 2yu6 h GLU 46 CO -0.21 0.00 -0.66 -1.12 -1.00 0.00 0.00 179.01 176.02 2yu6 s SER 47 N -4.78 2.84 -0.04 1.42 0.01 0.20 -4.78 113.70 108.58 2yu6 s SER 47 Ca -0.03 -1.22 -0.22 0.00 1.31 0.00 0.00 55.95 55.79 2yu6 s SER 47 Cb 0.10 -0.18 -0.16 0.00 0.21 0.00 0.00 66.02 65.99 2yu6 s SER 47 CO 0.35 -0.37 0.94 -1.28 0.41 0.00 0.00 173.24 173.30 2yu6 h SER 48 N 2.22 -0.22 -3.29 2.44 0.87 -1.80 -3.43 113.55 110.34 2yu6 h SER 48 Ca -0.40 -0.31 -0.47 0.00 -1.23 0.00 0.00 61.79 59.38 2yu6 h SER 48 Cb 1.24 0.06 -0.14 0.00 -0.44 0.00 0.00 62.40 63.11 2yu6 h SER 48 CO 0.68 0.30 -0.61 -0.63 -0.53 0.00 0.00 176.83 176.04 2yu6 s ILE 49 N -3.66 1.18 -0.25 2.23 1.01 -1.26 -4.96 121.20 115.48 2yu6 s ILE 49 Ca -0.13 -2.00 -0.03 0.00 0.00 0.00 0.00 60.65 58.49 2yu6 s ILE 49 Cb 0.01 -2.79 0.08 0.00 0.01 0.00 0.00 42.46 39.77 2yu6 s ILE 49 CO 0.49 -0.01 0.08 -0.69 0.00 0.00 0.00 174.94 174.81 2yu6 s VAL 50 N -3.31 0.38 -0.17 2.92 1.01 -1.26 -2.81 120.40 117.16 2yu6 s VAL 50 Ca 0.37 -0.77 -0.27 0.00 0.00 0.00 0.00 61.98 61.30 2yu6 s VAL 50 Cb 0.09 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 35.33 2yu6 s VAL 50 CO 0.15 -0.47 0.91 -0.31 0.00 0.00 0.00 175.10 175.38 2yu6 s TYR 51 N 1.89 3.42 -0.27 5.22 2.02 -0.21 0.47 117.35 129.90 2yu6 s TYR 51 Ca 0.05 1.37 0.03 0.00 -0.37 0.00 0.00 57.07 58.15 2yu6 s TYR 51 Cb -0.17 -3.10 0.06 0.00 -0.40 0.00 0.00 41.96 38.36 2yu6 s TYR 51 CO -0.20 -0.28 -0.09 -0.51 -1.57 0.00 0.00 175.55 172.90 2yu6 s LEU 52 N 2.32 3.60 -0.38 -1.29 1.43 0.76 -1.23 118.68 123.90 2yu6 s LEU 52 Ca 0.41 -1.49 -0.22 0.00 -1.03 0.00 0.00 54.13 51.80 2yu6 s LEU 52 Cb -0.17 -1.56 0.01 0.00 0.03 0.00 0.00 46.19 44.51 2yu6 s LEU 52 CO 0.12 -0.21 0.74 -0.69 0.23 0.00 0.00 176.35 176.54 2yu6 s VAL 53 N 1.08 4.77 -0.07 -1.59 1.01 -0.54 -0.65 120.40 124.41 2yu6 s VAL 53 Ca -0.07 0.71 -0.11 0.00 0.00 0.00 0.00 61.98 62.51 2yu6 s VAL 53 Cb -0.20 -4.19 -0.05 0.00 0.00 0.00 0.00 36.38 31.94 2yu6 s VAL 53 CO -0.05 -0.45 0.28 -0.36 0.00 0.00 0.00 175.10 174.52 2yu6 s PHE 54 N 3.01 3.65 -0.22 5.22 0.40 0.37 -0.76 117.98 129.65 2yu6 s PHE 54 Ca 0.29 0.76 -0.08 0.00 -0.60 0.00 0.00 56.93 57.30 2yu6 s PHE 54 Cb -0.13 -2.14 0.10 0.00 0.51 0.00 0.00 43.02 41.36 2yu6 s PHE 54 CO 0.17 0.66 0.47 -1.12 0.70 0.00 0.00 175.22 176.10 2yu6 s SER 55 N -0.94 -0.46 0.27 1.36 0.01 -0.98 -2.71 113.70 110.26 2yu6 s SER 55 Ca 0.19 1.12 -0.29 0.00 1.31 0.00 0.00 55.95 58.28 2yu6 s SER 55 Cb -0.14 1.57 -0.10 0.00 0.21 0.00 0.00 66.02 67.56 2yu6 s SER 55 CO 0.08 -0.23 1.31 -0.69 0.41 0.00 0.00 173.24 174.12 2yu6 s VAL 56 N 2.68 2.97 0.30 3.43 1.01 -1.26 -2.87 120.40 126.66 2yu6 s VAL 56 Ca -0.03 0.88 -0.28 0.00 0.00 0.00 0.00 61.98 62.55 2yu6 s VAL 56 Cb -0.12 -3.56 -0.13 0.00 0.00 0.00 0.00 36.38 32.57 2yu6 s VAL 56 CO -0.14 0.17 1.17 0.00 0.00 0.00 0.00 175.10 176.30 2yu6 n GLN 57 N 1.74 1.73 -3.82 2.72 1.13 -0.80 -2.68 117.38 117.40 2yu6 n GLN 57 Ca 0.03 0.61 -0.36 0.00 -1.94 0.00 0.00 57.00 55.34 2yu6 n GLN 57 Cb 0.42 -2.10 0.03 0.00 0.11 0.00 0.00 30.24 28.71 2yu6 n GLN 57 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2yu6 n GLY 58 N 1.14 -0.91 0.03 1.08 0.00 -1.26 -4.90 105.19 100.38 2yu6 n GLY 58 Ca 0.08 0.40 -0.05 0.00 0.00 0.00 0.00 46.02 46.46 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 -2.53 3.46 0.00 1.61 3.41 -1.09 -5.05 113.62 113.43 2yu6 n SER 59 Ca -0.11 -0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 2yu6 n SER 59 Cb 0.59 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 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 3.08 3.01 3.91 5.00 0.00 -1.26 -5.01 105.19 113.92 2yu6 n GLY 60 Ca -0.12 -0.80 -0.23 0.00 0.00 0.00 0.00 46.02 44.87 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 1.96 -0.46 1.61 3.76 -1.26 -2.99 115.29 117.91 2yu6 s HIS 61 Ca 0.00 -0.70 -0.18 0.00 -0.15 0.00 0.00 55.06 54.03 2yu6 s HIS 61 Cb 0.00 -2.04 0.04 0.00 1.11 0.00 0.00 32.58 31.69 2yu6 s HIS 61 CO 0.00 -0.45 0.52 -0.06 -0.85 0.00 0.00 174.74 173.90 2yu6 s PHE 62 N -2.66 3.12 0.63 1.40 0.08 0.16 -4.74 117.98 115.98 2yu6 s PHE 62 Ca 0.43 -0.51 0.20 0.00 0.12 0.00 0.00 56.93 57.18 2yu6 s PHE 62 Cb -0.03 -3.23 0.89 0.00 -0.57 0.00 0.00 43.02 40.08 2yu6 s PHE 62 CO 0.26 -0.86 1.44 1.96 -0.10 0.00 0.00 175.22 177.91 2yu6 h GLN 63 N 8.85 0.00 0.00 0.44 1.08 -1.78 -3.20 115.11 120.50 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 1.10 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.53 2yu6 h GLN 63 CO 0.88 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 179.17 2yu6 n GLY 64 N -1.53 0.81 3.07 3.46 0.00 -1.10 -4.45 105.19 105.45 2yu6 n GLY 64 Ca 0.10 -2.14 -0.09 0.00 0.00 0.00 0.00 46.02 43.89 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 -0.99 0.54 -0.05 1.61 -0.71 -1.21 -0.48 117.98 116.70 2yu6 s PHE 65 Ca 0.00 -0.82 -0.04 0.00 -1.04 0.00 0.00 56.93 55.03 2yu6 s PHE 65 Cb 0.00 -0.36 0.01 0.00 -1.21 0.00 0.00 43.02 41.46 2yu6 s PHE 65 CO 0.00 -0.25 0.12 -1.54 -1.34 0.00 0.00 175.22 172.21 2yu6 s SER 66 N -2.38 -0.12 -0.41 1.98 1.04 0.18 -2.53 113.70 111.44 2yu6 s SER 66 Ca -0.00 0.25 -0.20 0.00 0.48 0.00 0.00 55.95 56.47 2yu6 s SER 66 Cb 0.00 0.24 0.02 0.00 0.10 0.00 0.00 66.02 66.38 2yu6 s SER 66 CO -0.05 -0.05 0.63 0.00 0.98 0.00 0.00 173.24 174.75 2yu6 s ARG 67 N 0.15 3.40 -0.21 4.02 1.70 -1.20 -0.17 118.95 126.64 2yu6 s ARG 67 Ca -0.01 -0.25 -0.42 0.00 -0.47 0.00 0.00 55.73 54.58 2yu6 s ARG 67 Cb -0.02 -3.91 -0.19 0.00 -0.57 0.00 0.00 34.95 30.26 2yu6 s ARG 67 CO -0.00 -0.92 1.26 -0.12 -1.08 0.00 0.00 175.30 174.43 2yu6 n MET 68 N 6.18 0.00 -0.09 3.89 0.00 0.18 -2.02 117.12 125.26 2yu6 n MET 68 Ca -0.02 0.00 -0.11 0.00 -0.00 0.00 0.00 57.70 57.57 2yu6 n MET 68 Cb 0.48 -1.45 -0.11 0.00 0.00 0.00 0.00 33.22 32.14 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 2.51 1.64 -4.56 6.12 2.88 -1.13 -4.41 113.62 116.66 2yu6 n SER 69 Ca 0.24 -0.05 -0.26 0.00 -1.33 0.00 0.00 58.87 57.47 2yu6 n SER 69 Cb 0.02 0.33 -0.11 0.00 -0.75 0.00 0.00 64.21 63.70 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 -5.46 3.37 0.47 -3.46 0.15 -1.23 -4.99 113.70 102.55 2yu6 s SER 70 Ca -0.17 -1.37 0.02 0.00 0.70 0.00 0.00 55.95 55.13 2yu6 s SER 70 Cb 0.06 -0.29 0.01 0.00 -1.71 0.00 0.00 66.02 64.09 2yu6 s SER 70 CO 0.58 -0.50 0.68 -1.61 1.20 0.00 0.00 173.24 173.59 2yu6 s GLU 71 N -3.77 2.83 -0.08 5.44 2.02 -1.26 -4.44 118.70 119.44 2yu6 s GLU 71 Ca 0.35 -0.75 -0.19 0.00 0.02 0.00 0.00 54.97 54.41 2yu6 s GLU 71 Cb 0.09 -2.58 -0.04 0.00 0.10 0.00 0.00 34.13 31.70 2yu6 s GLU 71 CO 0.17 -0.41 0.52 0.42 0.02 0.00 0.00 175.26 175.97 2yu6 s ILE 72 N -2.57 5.10 0.00 -1.63 1.01 -1.26 -4.54 121.20 117.31 2yu6 s ILE 72 Ca 0.52 1.05 0.00 0.00 0.00 0.00 0.00 60.65 62.23 2yu6 s ILE 72 Cb -0.10 -3.85 0.00 0.00 0.01 0.00 0.00 42.46 38.52 2yu6 s ILE 72 CO 0.37 0.36 0.00 0.61 0.00 0.00 0.00 174.94 176.28 2yu6 n GLY 73 N 2.96 -0.16 0.29 6.18 0.00 -1.25 -4.94 105.19 108.26 2yu6 n GLY 73 Ca -0.07 -0.08 0.04 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.09 -1.58 1.61 3.00 -1.26 -4.38 116.66 113.95 2yu6 n ARG 74 Ca 0.00 1.23 -0.52 0.00 -0.00 0.00 0.00 57.85 58.57 2yu6 n ARG 74 Cb 0.00 -1.84 -0.06 0.00 0.00 0.00 0.00 32.46 30.56 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 -5.27 1.11 -3.98 -0.14 4.71 -1.26 -4.94 120.64 110.87 2yu6 n GLU 75 Ca 0.12 0.40 -0.09 0.00 -0.01 0.00 0.00 57.16 57.58 2yu6 n GLU 75 Cb 0.38 -2.00 -0.08 0.00 -1.01 0.00 0.00 31.44 28.72 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 0.28 0.85 0.23 3.49 -0.14 -1.26 -2.40 119.74 120.78 2yu6 s LYS 76 Ca 0.82 -1.14 -0.16 0.00 -1.36 0.00 0.00 55.97 54.13 2yu6 s LYS 76 Cb -0.94 0.30 0.01 0.00 -1.68 0.00 0.00 37.83 35.52 2yu6 s LYS 76 CO 0.48 -0.25 0.52 -1.12 -0.76 0.00 0.00 175.35 174.22 2yu6 s SER 77 N -2.92 -0.18 -0.04 2.83 0.01 -1.26 -4.97 113.70 107.16 2yu6 s SER 77 Ca 0.11 -0.68 -0.05 0.00 1.31 0.00 0.00 55.95 56.63 2yu6 s SER 77 Cb 0.06 0.60 -0.03 0.00 0.21 0.00 0.00 66.02 66.85 2yu6 s SER 77 CO -0.07 -1.12 -0.12 0.00 0.41 0.00 0.00 173.24 172.34 2yu6 n GLN 78 N -0.37 0.19 -1.47 12.44 10.64 -1.26 -4.97 117.38 132.58 2yu6 n GLN 78 Ca -0.06 0.08 -0.48 0.00 -1.83 0.00 0.00 57.00 54.71 2yu6 n GLN 78 Cb 0.62 -0.82 -0.07 0.00 -0.86 0.00 0.00 30.24 29.11 2yu6 n GLN 78 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2yu6 n ASP 79 N -3.62 2.20 -3.57 2.61 9.92 -1.26 -4.88 116.55 117.95 2yu6 n ASP 79 Ca -0.12 0.30 -0.13 0.00 -0.53 0.00 0.00 54.79 54.31 2yu6 n ASP 79 Cb 0.41 -1.31 -0.06 0.00 -0.64 0.00 0.00 41.12 39.52 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 7.92 -0.50 0.05 1.24 0.23 -1.26 -5.03 118.94 121.59 2yu6 s TRP 80 Ca 1.09 0.92 -0.14 0.00 -2.03 0.00 0.00 56.10 55.94 2yu6 s TRP 80 Cb -0.76 0.42 -0.31 0.00 0.03 0.00 0.00 33.47 32.85 2yu6 s TRP 80 CO 0.45 -0.41 1.07 0.78 0.96 0.00 0.00 176.95 179.80 2yu6 h GLY 81 N 3.03 0.65 -7.16 0.98 0.00 -1.92 -3.43 103.07 95.23 2yu6 h GLY 81 Ca -0.23 -1.48 -0.67 0.00 0.00 0.00 0.00 47.33 44.95 2yu6 h GLY 81 CO 0.30 1.30 -0.68 -0.45 0.00 0.00 0.00 176.54 177.00 2yu6 s SER 82 N -7.48 4.67 0.37 0.19 0.15 -1.26 -4.98 113.70 105.37 2yu6 s SER 82 Ca -0.09 -0.64 0.08 0.00 0.70 0.00 0.00 55.95 55.99 2yu6 s SER 82 Cb 0.05 -1.78 0.72 0.00 -1.71 0.00 0.00 66.02 63.30 2yu6 s SER 82 CO 0.94 -0.12 1.90 0.00 1.20 0.00 0.00 173.24 177.16 2yu6 h ALA 83 N 8.14 1.46 -0.12 5.45 0.00 -1.98 -3.39 119.26 128.82 2yu6 h ALA 83 Ca -0.35 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 2yu6 h ALA 83 Cb 1.13 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 2yu6 h ALA 83 CO 0.59 0.38 0.12 0.41 0.00 0.00 0.00 179.25 180.75 2yu6 n GLY 84 N -0.88 -0.38 3.39 0.00 0.00 -1.26 -4.79 105.19 101.28 2yu6 n GLY 84 Ca -0.00 0.12 -0.15 0.00 0.00 0.00 0.00 46.02 45.98 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 15.34 1.21 -0.38 0.99 1.43 -1.26 -4.87 118.68 131.14 2yu6 s LEU 85 Ca 0.79 -1.52 0.04 0.00 -1.03 0.00 0.00 54.13 52.41 2yu6 s LEU 85 Cb -0.08 1.06 0.31 0.00 0.03 0.00 0.00 46.19 47.51 2yu6 s LEU 85 CO 0.16 -1.15 1.25 0.61 0.23 0.00 0.00 176.35 177.45 2yu6 n GLY 86 N -0.53 -0.87 0.00 -3.19 0.00 -1.26 -5.02 105.19 94.33 2yu6 n GLY 86 Ca 0.03 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.66 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 0.76 3.53 3.59 -0.02 0.00 -1.26 -4.82 105.19 106.97 2yu6 n GLY 87 Ca -0.00 -0.72 -0.31 0.00 0.00 0.00 0.00 46.02 44.99 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 3.51 0.01 1.61 1.01 -1.01 -4.34 120.40 121.19 2yu6 s VAL 88 Ca 0.00 -1.04 -0.02 0.00 0.00 0.00 0.00 61.98 60.92 2yu6 s VAL 88 Cb 0.00 -2.59 -0.01 0.00 0.00 0.00 0.00 36.38 33.78 2yu6 s VAL 88 CO 0.00 0.24 0.02 0.72 0.00 0.00 0.00 175.10 176.08 2yu6 s PHE 89 N -1.12 0.19 0.62 5.22 -0.71 -0.54 -3.87 117.98 117.77 2yu6 s PHE 89 Ca 0.20 -0.40 -0.11 0.00 -1.04 0.00 0.00 56.93 55.57 2yu6 s PHE 89 Cb -0.11 -0.15 -0.04 0.00 -1.21 0.00 0.00 43.02 41.52 2yu6 s PHE 89 CO 0.11 -0.22 1.03 0.15 -1.34 0.00 0.00 175.22 174.96 2yu6 s LYS 90 N -1.41 3.56 -0.05 1.99 1.02 -1.26 0.01 119.74 123.59 2yu6 s LYS 90 Ca -0.15 0.74 -0.03 0.00 0.02 0.00 0.00 55.97 56.54 2yu6 s LYS 90 Cb -0.09 -2.08 0.02 0.00 -0.52 0.00 0.00 37.83 35.16 2yu6 s LYS 90 CO -0.00 -0.60 0.12 0.14 -0.92 0.00 0.00 175.35 174.09 2yu6 s VAL 91 N -3.19 -0.02 -1.15 3.17 -7.23 -0.82 -2.85 120.40 108.31 2yu6 s VAL 91 Ca 0.55 0.06 -0.06 0.00 -1.81 0.00 0.00 61.98 60.72 2yu6 s VAL 91 Cb -0.11 -0.18 0.26 0.00 0.56 0.00 0.00 36.38 36.90 2yu6 s VAL 91 CO 0.54 0.02 1.59 1.21 -0.31 0.00 0.00 175.10 178.15 2yu6 n GLU 92 N 3.39 4.12 -1.55 4.82 2.13 -0.85 -4.77 120.64 127.93 2yu6 n GLU 92 Ca -0.17 -4.19 -0.49 0.00 0.66 0.00 0.00 57.16 52.97 2yu6 n GLU 92 Cb 0.57 -2.66 -0.04 0.00 0.27 0.00 0.00 31.44 29.58 2yu6 n GLU 92 CO 0.00 0.00 0.00 0.91 -0.41 0.00 0.00 177.13 177.63 2yu6 n TRP 93 N 2.36 0.98 -0.06 4.31 7.02 -1.26 -3.21 117.44 127.57 2yu6 n TRP 93 Ca 0.31 0.76 -0.11 0.00 -1.02 0.00 0.00 57.50 57.43 2yu6 n TRP 93 Cb 0.35 -2.21 -0.04 0.00 -2.42 0.00 0.00 31.31 26.99 2yu6 n TRP 93 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 2yu6 n ILE 94 N 1.06 1.26 -4.74 -0.99 -0.00 -1.05 -4.94 119.36 109.96 2yu6 n ILE 94 Ca 0.15 0.04 -0.27 0.00 -0.00 0.00 0.00 62.75 62.67 2yu6 n ILE 94 Cb 0.25 -1.96 -0.17 0.00 -0.00 0.00 0.00 39.64 37.76 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 -2.50 2.15 0.00 0.38 1.81 -1.25 -5.00 118.95 114.54 2yu6 s ARG 95 Ca -0.22 -0.56 0.15 0.00 -1.72 0.00 0.00 55.73 53.37 2yu6 s ARG 95 Cb 0.05 -1.73 0.19 0.00 -0.45 0.00 0.00 34.95 33.02 2yu6 s ARG 95 CO 0.30 0.05 1.07 1.63 -0.68 0.00 0.00 175.30 177.67 2yu6 n LYS 96 N 3.80 1.52 -2.07 3.54 4.01 -1.26 -3.30 118.16 124.40 2yu6 n LYS 96 Ca -0.21 -1.61 -0.35 0.00 -0.51 0.00 0.00 58.31 55.63 2yu6 n LYS 96 Cb 0.52 -1.30 0.02 0.00 -0.51 0.00 0.00 35.03 33.76 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 -1.17 3.11 -0.41 1.97 2.56 -1.26 -4.75 118.70 118.75 2yu6 s GLU 97 Ca 0.21 1.61 -0.23 0.00 0.00 0.00 0.00 54.97 56.56 2yu6 s GLU 97 Cb 0.13 -1.97 0.02 0.00 2.00 0.00 0.00 34.13 34.31 2yu6 s GLU 97 CO 0.19 -1.05 0.77 -1.54 -0.56 0.00 0.00 175.26 173.07 2yu6 s SER 98 N -1.92 6.46 -0.28 -1.70 1.04 -1.26 -4.29 113.70 111.75 2yu6 s SER 98 Ca 0.72 0.07 -0.11 0.00 0.48 0.00 0.00 55.95 57.12 2yu6 s SER 98 Cb -0.25 -2.38 -0.05 0.00 0.10 0.00 0.00 66.02 63.44 2yu6 s SER 98 CO 0.32 -0.82 0.18 -0.22 0.98 0.00 0.00 173.24 173.69 2yu6 s LEU 99 N 3.16 3.99 0.36 2.42 2.96 -1.21 -4.80 118.68 125.56 2yu6 s LEU 99 Ca 0.30 -0.02 -0.27 0.00 -0.22 0.00 0.00 54.13 53.92 2yu6 s LEU 99 Cb -0.13 -2.11 -0.09 0.00 0.50 0.00 0.00 46.19 44.36 2yu6 s LEU 99 CO 0.20 -0.05 1.21 -2.16 -1.32 0.00 0.00 176.35 174.23 2yu6 s PRO 100 N 1.74 4.23 0.54 0.98 0.04 -1.26 0.38 135.00 141.65 2yu6 s PRO 100 Ca 0.07 1.96 0.29 0.00 0.04 0.00 0.00 61.00 63.36 2yu6 s PRO 100 Cb -0.16 -2.88 1.45 0.00 0.04 0.00 0.00 34.50 32.95 2yu6 s PRO 100 CO 0.10 -0.21 1.94 0.74 0.04 0.00 0.00 177.00 179.62 2yu6 h PHE 101 N 3.05 0.00 0.00 0.56 0.04 -1.91 0.08 116.94 118.76 2yu6 h PHE 101 Ca -0.48 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.29 2yu6 h PHE 101 Cb 1.23 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.38 2yu6 h PHE 101 CO 0.56 0.00 0.56 -0.56 -0.60 0.00 0.00 178.31 178.27 2yu6 h GLN 102 N 0.00 0.00 0.04 1.51 3.07 -1.90 0.54 115.11 118.37 2yu6 h GLN 102 Ca 0.33 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 58.94 2yu6 h GLN 102 Cb 1.37 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.92 2yu6 h GLN 102 CO -0.00 0.00 -0.68 0.74 0.09 0.00 0.00 178.83 178.98 2yu6 h PHE 103 N 0.00 0.17 -0.44 0.06 -1.00 -1.34 -3.34 116.94 111.04 2yu6 h PHE 103 Ca 0.00 -0.12 0.00 0.00 2.81 0.00 0.00 57.97 60.66 2yu6 h PHE 103 Cb 1.12 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.67 2yu6 h PHE 103 CO 0.00 1.27 0.00 0.00 -1.61 0.00 0.00 178.31 177.97 2yu6 n ALA 104 N -2.87 3.42 0.28 2.45 0.00 0.58 -4.33 120.51 120.05 2yu6 n ALA 104 Ca -0.19 -1.38 0.14 0.00 0.00 0.00 0.00 53.44 52.01 2yu6 n ALA 104 Cb 0.66 -1.08 0.82 0.00 0.00 0.00 0.00 19.45 19.85 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 3.01 0.00 0.00 0.00 6.17 -0.22 -2.03 115.15 122.09 2yu6 h HIS 105 Ca 0.00 0.00 -0.27 0.00 0.71 0.00 0.00 60.37 60.81 2yu6 h HIS 105 Cb 1.52 0.00 -0.05 0.00 2.52 0.00 0.00 27.41 31.40 2yu6 h HIS 105 CO 0.77 0.06 -1.66 -2.39 0.71 0.00 0.00 177.93 175.43 2yu6 n HIS 106 N -3.77 1.00 -2.35 5.26 1.44 -1.26 -4.91 115.22 110.63 2yu6 n HIS 106 Ca -0.02 0.36 -0.39 0.00 -2.01 0.00 0.00 57.72 55.65 2yu6 n HIS 106 Cb 0.15 -1.17 -0.03 0.00 0.12 0.00 0.00 29.99 29.07 2yu6 n HIS 106 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2yu6 s LEU 107 N -6.03 4.32 0.00 2.39 1.43 -0.76 -5.04 118.68 114.99 2yu6 s LEU 107 Ca -0.04 2.33 0.07 0.00 -1.03 0.00 0.00 54.13 55.46 2yu6 s LEU 107 Cb 0.08 -3.87 -0.03 0.00 0.03 0.00 0.00 46.19 42.40 2yu6 s LEU 107 CO 0.82 -0.48 0.24 0.18 0.23 0.00 0.00 176.35 177.35 2yu6 n LEU 108 N 0.48 0.00 -3.70 1.79 4.77 -1.26 -3.08 117.00 116.01 2yu6 n LEU 108 Ca 0.02 -2.81 -0.30 0.00 -0.03 0.00 0.00 56.01 52.89 2yu6 n LEU 108 Cb 0.46 1.46 -0.15 0.00 -2.33 0.00 0.00 43.42 42.86 2yu6 n LEU 108 CO 0.52 -0.47 -0.33 0.21 -1.33 0.00 0.00 177.39 176.00 2yu6 s ASN 109 N -3.08 3.92 0.00 -1.43 2.47 0.30 -4.49 114.94 112.63 2yu6 s ASN 109 Ca 0.35 -1.66 0.09 0.00 0.42 0.00 0.00 52.86 52.06 2yu6 s ASN 109 Cb 0.02 -0.79 0.56 0.00 -1.45 0.00 0.00 41.25 39.58 2yu6 s ASN 109 CO 0.24 -0.41 1.00 -0.81 -3.72 0.00 0.00 177.10 173.41 2yu6 n PRO 110 N 4.81 0.49 0.10 0.43 -0.04 -1.26 -2.13 135.00 137.40 2yu6 n PRO 110 Ca -0.02 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.49 2yu6 n PRO 110 Cb 0.41 -1.30 -0.01 0.00 -0.04 0.00 0.00 33.50 32.57 2yu6 n PRO 110 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 2yu6 h TRP 111 N 0.00 0.00 -2.58 0.54 4.06 -1.94 -3.39 115.95 112.65 2yu6 h TRP 111 Ca 0.00 0.00 -0.60 0.00 2.06 0.00 0.00 58.89 60.35 2yu6 h TRP 111 Cb 0.00 0.00 -0.39 0.00 -1.00 0.00 0.00 29.16 27.77 2yu6 h TRP 111 CO 0.00 0.34 -0.86 0.27 -3.56 0.00 0.00 178.44 174.64 2yu6 n ASN 112 N -2.93 0.58 -3.81 -3.49 6.94 -0.99 -4.89 115.26 106.67 2yu6 n ASN 112 Ca -0.03 -2.63 -0.27 0.00 -0.02 0.00 0.00 54.58 51.63 2yu6 n ASN 112 Cb 0.70 -0.61 0.04 0.00 -2.36 0.00 0.00 39.78 37.55 2yu6 n ASN 112 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 2yu6 n ASP 113 N 2.56 -3.99 -3.77 0.53 8.00 -1.26 -2.19 116.55 116.43 2yu6 n ASP 113 Ca 0.27 -0.76 -0.22 0.00 0.71 0.00 0.00 54.79 54.79 2yu6 n ASP 113 Cb 0.44 -4.09 -0.06 0.00 -0.02 0.00 0.00 41.12 37.38 2yu6 n ASP 113 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2yu6 n ASN 114 N -2.92 0.38 -4.84 -2.24 4.13 -0.93 -4.86 115.26 103.98 2yu6 n ASN 114 Ca -0.06 -0.88 -0.37 0.00 1.68 0.00 0.00 54.58 54.95 2yu6 n ASN 114 Cb 0.57 -1.09 -0.06 0.00 -1.54 0.00 0.00 39.78 37.66 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 -6.07 3.96 0.14 3.52 -0.14 -0.91 -4.57 119.74 115.67 2yu6 s LYS 115 Ca 0.03 0.45 -0.34 0.00 -1.36 0.00 0.00 55.97 54.75 2yu6 s LYS 115 Cb -0.02 -3.13 -0.17 0.00 -1.68 0.00 0.00 37.83 32.84 2yu6 s LYS 115 CO 0.69 0.62 1.04 1.17 -0.76 0.00 0.00 175.35 178.10 2yu6 n LYS 116 N 1.43 0.71 -0.16 1.68 4.81 -1.26 -0.54 118.16 124.83 2yu6 n LYS 116 Ca -0.10 0.25 -0.04 0.00 -0.87 0.00 0.00 58.31 57.55 2yu6 n LYS 116 Cb 0.52 -1.67 -0.04 0.00 0.02 0.00 0.00 35.03 33.86 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 1.27 -0.26 -0.34 3.15 0.31 -1.18 0.12 118.33 121.42 2yu6 n VAL 117 Ca 0.17 1.47 0.20 0.00 -0.01 0.00 0.00 64.34 66.16 2yu6 n VAL 117 Cb 0.21 -1.87 0.38 0.00 -0.91 0.00 0.00 33.84 31.64 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 -3.85 -0.07 -1.14 5.55 10.64 -1.26 -3.04 117.38 124.19 2yu6 n GLN 118 Ca 0.01 1.45 -0.38 0.00 -1.83 0.00 0.00 57.00 56.25 2yu6 n GLN 118 Cb 0.10 -2.39 -0.08 0.00 -0.86 0.00 0.00 30.24 27.00 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 -5.42 1.06 -4.11 -0.39 5.41 0.33 -4.81 119.36 111.43 2yu6 n ILE 119 Ca 0.27 -0.98 -0.10 0.00 1.00 0.00 0.00 62.75 62.95 2yu6 n ILE 119 Cb 0.91 -2.16 -0.10 0.00 -0.71 0.00 0.00 39.64 37.58 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 6.27 0.80 0.46 4.38 0.15 -1.17 -4.71 113.70 119.88 2yu6 s SER 120 Ca 0.66 -0.89 0.08 0.00 0.70 0.00 0.00 55.95 56.49 2yu6 s SER 120 Cb 0.10 0.12 0.01 0.00 -1.71 0.00 0.00 66.02 64.54 2yu6 s SER 120 CO 0.20 -0.46 0.47 0.00 1.20 0.00 0.00 173.24 174.65 2yu6 s ARG 121 N -3.31 2.50 0.09 5.44 1.70 -1.26 -4.97 118.95 119.14 2yu6 s ARG 121 Ca 0.04 -1.59 -0.31 0.00 -0.47 0.00 0.00 55.73 53.41 2yu6 s ARG 121 Cb 0.03 -2.42 -0.08 0.00 -0.57 0.00 0.00 34.95 31.90 2yu6 s ARG 121 CO -0.05 -0.37 1.51 0.16 -1.08 0.00 0.00 175.30 175.47 2yu6 s ASP 122 N -4.26 6.71 -0.19 -2.89 -4.77 -1.26 -2.71 116.67 107.30 2yu6 s ASP 122 Ca 0.49 2.39 -0.00 0.00 -3.30 0.00 0.00 52.55 52.12 2yu6 s ASP 122 Cb -0.04 -2.57 0.00 0.00 -1.09 0.00 0.00 42.92 39.21 2yu6 s ASP 122 CO 0.29 -0.77 0.05 0.61 0.70 0.00 0.00 175.17 176.05 2yu6 n GLY 123 N 3.73 0.46 3.41 2.12 0.00 -0.86 -4.95 105.19 109.10 2yu6 n GLY 123 Ca 0.14 -0.71 -0.36 0.00 0.00 0.00 0.00 46.02 45.09 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 -4.50 3.58 0.53 1.61 2.00 -1.10 -4.97 119.66 116.80 2yu6 s GLN 124 Ca 0.03 -0.52 -0.21 0.00 -2.00 0.00 0.00 55.36 52.66 2yu6 s GLN 124 Cb -0.01 -3.19 -0.06 0.00 0.80 0.00 0.00 33.01 30.55 2yu6 s GLN 124 CO 0.03 -0.15 1.18 -1.83 -0.50 0.00 0.00 175.29 174.02 2yu6 s GLU 125 N 1.44 3.39 -0.03 1.67 -1.05 -1.26 -1.14 118.70 121.72 2yu6 s GLU 125 Ca 0.05 1.76 0.05 0.00 -0.15 0.00 0.00 54.97 56.69 2yu6 s GLU 125 Cb -0.15 -2.14 -0.01 0.00 -0.44 0.00 0.00 34.13 31.39 2yu6 s GLU 125 CO 0.01 -0.85 -0.19 -1.17 0.95 0.00 0.00 175.26 174.01 2yu6 s LEU 126 N -3.58 1.99 0.31 1.83 2.96 0.87 -4.86 118.68 118.21 2yu6 s LEU 126 Ca 0.71 -0.38 -0.28 0.00 -0.22 0.00 0.00 54.13 53.96 2yu6 s LEU 126 Cb -0.28 -1.05 -0.13 0.00 0.50 0.00 0.00 46.19 45.23 2yu6 s LEU 126 CO 0.32 0.20 1.21 1.21 -1.32 0.00 0.00 176.35 177.98 2yu6 n GLU 127 N 2.89 1.86 0.00 1.98 2.13 -1.26 -3.84 120.64 124.40 2yu6 n GLU 127 Ca -0.17 0.65 0.07 0.00 0.66 0.00 0.00 57.16 58.38 2yu6 n GLU 127 Cb 0.53 -2.17 0.34 0.00 0.27 0.00 0.00 31.44 30.41 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 0.73 0.12 0.01 5.31 -0.04 -1.26 -0.33 135.00 139.54 2yu6 n PRO 128 Ca 0.07 0.19 -0.22 0.00 -0.04 0.00 0.00 63.50 63.51 2yu6 n PRO 128 Cb 0.34 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.16 2yu6 n PRO 128 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2yu6 n GLN 129 N -1.38 0.76 0.01 0.54 7.27 -1.26 -3.35 117.38 119.97 2yu6 n GLN 129 Ca 0.05 0.27 -0.02 0.00 0.07 0.00 0.00 57.00 57.37 2yu6 n GLN 129 Cb 0.14 -1.72 -0.11 0.00 2.41 0.00 0.00 30.24 30.97 2yu6 n GLN 129 CO 0.00 0.00 0.00 1.33 0.07 0.00 0.00 177.06 178.46 2yu6 n VAL 130 N -3.50 1.20 0.08 1.69 0.24 -1.11 -3.86 118.33 113.08 2yu6 n VAL 130 Ca -0.32 -0.72 -0.10 0.00 -2.04 0.00 0.00 64.34 61.17 2yu6 n VAL 130 Cb 1.05 -0.71 -0.04 0.00 -1.47 0.00 0.00 33.84 32.67 2yu6 n VAL 130 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2yu6 h GLY 131 N 3.74 0.25 0.63 7.63 0.00 -0.87 -2.70 103.07 111.74 2yu6 h GLY 131 Ca -0.22 -0.49 -0.00 0.00 0.00 0.00 0.00 47.33 46.62 2yu6 h GLY 131 CO 0.05 0.43 -0.00 1.05 0.00 0.00 0.00 176.54 178.06 2yu6 h GLU 132 N 0.11 0.03 0.00 4.80 4.11 -1.72 -2.79 114.58 119.12 2yu6 h GLU 132 Ca -0.06 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.36 2yu6 h GLU 132 Cb 1.61 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.85 2yu6 h GLU 132 CO 0.15 0.41 0.00 0.00 0.07 0.00 0.00 179.01 179.63 2yu6 n GLN 133 N -4.88 0.03 0.08 1.06 10.64 -1.25 -2.62 117.38 120.44 2yu6 n GLN 133 Ca -0.08 0.18 -0.11 0.00 -1.83 0.00 0.00 57.00 55.16 2yu6 n GLN 133 Cb 0.21 -1.50 -0.13 0.00 -0.86 0.00 0.00 30.24 27.96 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 0.19 -0.01 2.61 5.85 -1.21 -3.35 115.31 119.40 2yu6 h LEU 134 Ca 0.00 -0.21 -0.06 0.00 0.84 0.00 0.00 57.88 58.45 2yu6 h LEU 134 Cb 0.30 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.27 2yu6 h LEU 134 CO 0.00 1.17 -0.21 -0.07 -0.34 0.00 0.00 178.44 178.98 2yu6 h LEU 135 N 0.03 0.20 -1.40 2.25 3.38 -1.36 -3.19 115.31 115.22 2yu6 h LEU 135 Ca -0.07 -0.75 0.27 0.00 0.09 0.00 0.00 57.88 57.41 2yu6 h LEU 135 Cb 1.87 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 42.52 2yu6 h LEU 135 CO 0.16 0.92 1.01 0.06 0.09 0.00 0.00 178.44 180.68 2yu6 h GLN 136 N -0.50 0.00 -0.73 1.13 3.07 -1.68 0.28 115.11 116.69 2yu6 h GLN 136 Ca -0.02 0.00 0.13 0.00 0.09 0.00 0.00 58.65 58.84 2yu6 h GLN 136 Cb 0.95 0.00 -0.09 0.00 0.08 0.00 0.00 27.48 28.42 2yu6 h GLN 136 CO 0.04 0.00 0.30 -0.07 0.09 0.00 0.00 178.83 179.19 2yu6 h LEU 137 N 0.00 0.30 -1.31 0.06 3.38 -1.68 0.44 115.31 116.50 2yu6 h LEU 137 Ca 0.44 0.10 0.16 0.00 0.09 0.00 0.00 57.88 58.67 2yu6 h LEU 137 Cb 2.45 0.07 -0.07 0.00 0.09 0.00 0.00 40.66 43.19 2yu6 h LEU 137 CO -0.00 0.14 0.58 -0.50 0.09 0.00 0.00 178.44 178.74 2yu6 h TRP 138 N 0.47 0.77 -0.07 1.13 6.55 -0.65 0.19 115.95 124.35 2yu6 h TRP 138 Ca 0.39 0.02 -0.07 0.00 0.95 0.00 0.00 58.89 60.18 2yu6 h TRP 138 Cb 0.55 -0.24 -0.01 0.00 -0.86 0.00 0.00 29.16 28.60 2yu6 h TRP 138 CO -0.16 0.25 -0.30 0.93 -1.05 0.00 0.00 178.44 178.12 2yu6 h GLU 139 N 0.63 0.12 0.00 0.49 4.39 -1.05 -2.46 114.58 116.69 2yu6 h GLU 139 Ca 0.47 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 60.06 2yu6 h GLU 139 Cb 0.85 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.48 2yu6 h GLU 139 CO -0.22 0.41 -0.29 0.00 -1.16 0.00 0.00 179.01 177.76 2yu6 h ARG 140 N 0.11 0.00 0.00 2.33 3.08 -0.43 -3.53 114.38 115.94 2yu6 h ARG 140 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2yu6 h ARG 140 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.64 2yu6 h ARG 140 CO 0.04 0.29 0.00 1.28 -1.07 0.00 0.00 179.97 180.51