#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yu6 n SER 2 N 0.00 1.73 -4.57 1.61 2.88 -1.26 -4.79 113.62 109.21 2yu6 n SER 2 Ca 0.00 0.04 -0.26 0.00 -1.33 0.00 0.00 58.87 57.32 2yu6 n SER 2 Cb 0.00 -1.28 -0.06 0.00 -0.75 0.00 0.00 64.21 62.11 2yu6 n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2yu6 s SER 3 N 9.39 4.87 -0.21 -3.46 0.01 -1.26 -4.92 113.70 118.13 2yu6 s SER 3 Ca 1.13 -1.33 -0.29 0.00 1.31 0.00 0.00 55.95 56.76 2yu6 s SER 3 Cb -0.73 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 62.92 2yu6 s SER 3 CO 0.41 -3.19 1.13 -0.83 0.41 0.00 0.00 173.24 171.17 2yu6 s GLY 4 N 7.16 1.67 -0.45 3.44 0.00 -1.26 -4.92 107.32 112.96 2yu6 s GLY 4 Ca 0.71 0.28 -0.03 0.00 0.00 0.00 0.00 44.72 45.68 2yu6 s GLY 4 CO 0.10 2.31 2.39 -1.14 0.00 0.00 0.00 173.10 176.77 2yu6 n SER 5 N 6.46 6.64 -4.82 1.64 3.41 -1.26 -4.96 113.62 120.73 2yu6 n SER 5 Ca 0.13 -3.24 -0.35 0.00 -0.26 0.00 0.00 58.87 55.15 2yu6 n SER 5 Cb 0.46 -1.14 -0.06 0.00 -0.26 0.00 0.00 64.21 63.21 2yu6 n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2yu6 s SER 6 N 0.01 7.00 0.00 4.04 0.01 -1.26 -5.00 113.70 118.50 2yu6 s SER 6 Ca 0.49 1.48 0.00 0.00 1.31 0.00 0.00 55.95 59.22 2yu6 s SER 6 Cb 0.35 -2.45 0.00 0.00 0.21 0.00 0.00 66.02 64.13 2yu6 s SER 6 CO -0.14 -0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.02 2yu6 n GLY 7 N 0.18 2.80 3.80 3.44 0.00 -1.26 -5.03 105.19 109.13 2yu6 n GLY 7 Ca 0.01 -1.77 -0.35 0.00 0.00 0.00 0.00 46.02 43.92 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 -1.81 4.21 0.59 1.61 0.11 -1.26 -3.63 120.40 120.22 2yu6 s VAL 8 Ca 0.00 1.53 0.09 0.00 -2.93 0.00 0.00 61.98 60.67 2yu6 s VAL 8 Cb 0.00 -3.71 0.09 0.00 -1.53 0.00 0.00 36.38 31.23 2yu6 s VAL 8 CO 0.00 -0.15 0.75 -0.13 -3.33 0.00 0.00 175.10 172.24 2yu6 s ARG 9 N -2.80 2.23 -0.00 1.54 1.81 -1.02 -4.92 118.95 115.78 2yu6 s ARG 9 Ca 0.59 -1.78 -0.02 0.00 -1.72 0.00 0.00 55.73 52.80 2yu6 s ARG 9 Cb -0.14 -2.52 -0.00 0.00 -0.45 0.00 0.00 34.95 31.84 2yu6 s ARG 9 CO 0.18 -0.90 0.04 0.71 -0.68 0.00 0.00 175.30 174.65 2yu6 s TYR 10 N -2.74 0.06 0.15 -0.53 1.51 -1.25 -1.06 117.35 113.49 2yu6 s TYR 10 Ca 0.57 -0.11 -0.08 0.00 -1.01 0.00 0.00 57.07 56.44 2yu6 s TYR 10 Cb -0.05 -0.06 -0.01 0.00 -0.11 0.00 0.00 41.96 41.74 2yu6 s TYR 10 CO 0.36 -0.12 0.25 -0.06 -1.11 0.00 0.00 175.55 174.87 2yu6 s PHE 11 N -0.65 0.39 -0.30 2.71 0.08 -0.62 -3.02 117.98 116.57 2yu6 s PHE 11 Ca -0.07 -0.77 0.03 0.00 0.12 0.00 0.00 56.93 56.24 2yu6 s PHE 11 Cb -0.04 -0.09 0.08 0.00 -0.57 0.00 0.00 43.02 42.39 2yu6 s PHE 11 CO -0.00 -0.67 -0.03 0.42 -0.10 0.00 0.00 175.22 174.84 2yu6 s ILE 12 N -3.95 2.31 -0.46 0.64 -1.09 -1.21 -0.37 121.20 117.06 2yu6 s ILE 12 Ca 0.15 -1.90 -0.17 0.00 -2.23 0.00 0.00 60.65 56.50 2yu6 s ILE 12 Cb 0.04 -2.50 0.05 0.00 -1.58 0.00 0.00 42.46 38.47 2yu6 s ILE 12 CO -0.02 -0.27 0.47 -0.04 -1.23 0.00 0.00 174.94 173.85 2yu6 s MET 13 N 1.04 3.05 0.11 2.79 -1.94 -0.89 -1.91 119.30 121.56 2yu6 s MET 13 Ca -0.01 -1.01 -0.14 0.00 -1.71 0.00 0.00 55.69 52.81 2yu6 s MET 13 Cb -0.20 -4.06 -0.07 0.00 2.01 0.00 0.00 34.83 32.52 2yu6 s MET 13 CO -0.06 -1.01 0.52 0.15 -0.01 0.00 0.00 175.02 174.61 2yu6 s LYS 14 N 2.08 3.98 -0.04 2.03 -0.14 -1.26 -2.24 119.74 124.14 2yu6 s LYS 14 Ca 0.10 0.48 0.03 0.00 -1.36 0.00 0.00 55.97 55.22 2yu6 s LYS 14 Cb -0.20 -3.02 0.00 0.00 -1.68 0.00 0.00 37.83 32.94 2yu6 s LYS 14 CO 0.11 0.53 -0.12 0.45 -0.76 0.00 0.00 175.35 175.56 2yu6 s SER 15 N -1.57 1.64 0.11 2.83 0.15 -1.25 -4.83 113.70 110.79 2yu6 s SER 15 Ca 0.34 -0.27 -0.34 0.00 0.70 0.00 0.00 55.95 56.39 2yu6 s SER 15 Cb -0.16 -0.52 -0.13 0.00 -1.71 0.00 0.00 66.02 63.50 2yu6 s SER 15 CO 0.18 0.09 1.56 0.28 1.20 0.00 0.00 173.24 176.55 2yu6 h SER 16 N 6.48 -1.58 -1.82 5.45 0.02 -1.97 -2.59 113.55 117.54 2yu6 h SER 16 Ca -0.33 0.18 -0.59 0.00 -0.84 0.00 0.00 61.79 60.21 2yu6 h SER 16 Cb 1.17 0.60 -0.11 0.00 0.14 0.00 0.00 62.40 64.21 2yu6 h SER 16 CO 0.48 -0.52 -0.59 0.20 -1.14 0.00 0.00 176.83 175.26 2yu6 s ASN 17 N -4.75 4.17 0.02 3.07 -0.87 -1.26 -4.21 114.94 111.10 2yu6 s ASN 17 Ca -0.16 -1.07 -0.20 0.00 -1.57 0.00 0.00 52.86 49.86 2yu6 s ASN 17 Cb 0.07 -0.50 -0.19 0.00 -0.02 0.00 0.00 41.25 40.61 2yu6 s ASN 17 CO 0.62 -0.33 1.19 0.25 -2.57 0.00 0.00 177.10 176.26 2yu6 h LEU 18 N 1.73 0.46 -0.85 0.60 7.12 -1.97 -3.31 115.31 119.09 2yu6 h LEU 18 Ca -0.43 -0.65 0.13 0.00 0.13 0.00 0.00 57.88 57.06 2yu6 h LEU 18 Cb 1.25 -0.14 -0.14 0.00 -0.53 0.00 0.00 40.66 41.10 2yu6 h LEU 18 CO 0.70 1.04 -0.40 -0.09 -0.13 0.00 0.00 178.44 179.56 2yu6 h ARG 19 N -0.08 -0.06 -1.27 1.25 9.65 -1.99 0.95 114.38 122.82 2yu6 h ARG 19 Ca -0.03 0.00 0.37 0.00 -1.10 0.00 0.00 59.98 59.23 2yu6 h ARG 19 Cb 1.03 0.01 -0.09 0.00 -1.39 0.00 0.00 29.97 29.54 2yu6 h ARG 19 CO 0.08 -0.04 0.86 -0.91 2.80 0.00 0.00 179.97 182.76 2yu6 h ASN 20 N -0.07 0.21 -0.36 -3.80 2.35 -1.99 0.67 115.58 112.60 2yu6 h ASN 20 Ca 0.29 0.07 -0.16 0.00 -0.55 0.00 0.00 56.30 55.94 2yu6 h ASN 20 Cb 0.57 0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.98 2yu6 h ASN 20 CO -0.88 -0.03 -0.42 0.25 -1.65 0.00 0.00 177.43 174.71 2yu6 h LEU 21 N 0.15 0.98 -0.85 1.61 5.85 0.79 -3.15 115.31 120.68 2yu6 h LEU 21 Ca 0.69 -0.48 0.21 0.00 0.84 0.00 0.00 57.88 59.14 2yu6 h LEU 21 Cb 2.30 -0.28 -0.13 0.00 0.37 0.00 0.00 40.66 42.92 2yu6 h LEU 21 CO -0.22 1.27 0.29 -0.33 -0.34 0.00 0.00 178.44 179.11 2yu6 h GLU 22 N 0.72 0.30 -0.76 1.25 4.39 0.71 0.59 114.58 121.78 2yu6 h GLU 22 Ca 0.05 -0.02 0.22 0.00 0.34 0.00 0.00 59.36 59.95 2yu6 h GLU 22 Cb 1.02 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.57 2yu6 h GLU 22 CO 0.10 0.20 0.57 0.82 -1.16 0.00 0.00 179.01 179.53 2yu6 h ILE 23 N 0.30 0.56 0.00 3.13 5.03 -1.50 0.66 117.51 125.70 2yu6 h ILE 23 Ca 0.52 0.00 -0.11 0.00 -0.12 0.00 0.00 64.86 65.16 2yu6 h ILE 23 Cb 1.00 0.60 -0.02 0.00 -3.03 0.00 0.00 36.82 35.37 2yu6 h ILE 23 CO -0.57 0.00 -0.51 -1.28 -0.68 0.00 0.00 178.15 175.12 2yu6 h SER 24 N 0.00 0.00 0.16 1.72 0.87 0.12 -0.54 113.55 115.88 2yu6 h SER 24 Ca 0.36 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.58 2yu6 h SER 24 Cb 1.49 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.45 2yu6 h SER 24 CO -0.00 0.51 -1.71 1.56 -0.53 0.00 0.00 176.83 176.66 2yu6 h GLN 25 N 0.00 0.33 0.04 2.24 4.20 0.32 -2.36 115.11 119.87 2yu6 h GLN 25 Ca -0.01 -0.57 -0.00 0.00 0.06 0.00 0.00 58.65 58.13 2yu6 h GLN 25 Cb 1.30 0.21 0.00 0.00 0.30 0.00 0.00 27.48 29.29 2yu6 h GLN 25 CO 0.07 1.27 -0.02 1.96 -0.67 0.00 0.00 178.83 181.44 2yu6 h GLN 26 N -0.01 -0.05 -0.23 1.46 1.08 -0.73 -3.36 115.11 113.26 2yu6 h GLN 26 Ca -0.35 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 56.70 2yu6 h GLN 26 Cb 2.00 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 29.43 2yu6 h GLN 26 CO 0.13 0.14 -0.50 0.87 -0.95 0.00 0.00 178.83 178.52 2yu6 h LYS 27 N -1.01 0.63 0.00 1.46 1.79 -1.29 -3.48 116.57 114.67 2yu6 h LYS 27 Ca -0.01 -0.37 0.00 0.00 -2.18 0.00 0.00 60.65 58.09 2yu6 h LYS 27 Cb 0.21 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.89 2yu6 h LYS 27 CO 0.01 0.98 0.00 0.41 -1.08 0.00 0.00 179.45 179.77 2yu6 n GLY 28 N 0.19 0.67 3.20 3.86 0.00 -0.89 -5.01 105.19 107.20 2yu6 n GLY 28 Ca -0.03 -0.71 -0.12 0.00 0.00 0.00 0.00 46.02 45.16 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 0.85 -0.04 -0.61 -5.25 -1.23 -0.74 121.20 112.17 2yu6 s ILE 29 Ca 0.00 -1.98 -0.02 0.00 -0.99 0.00 0.00 60.65 57.66 2yu6 s ILE 29 Cb 0.00 -1.77 0.02 0.00 2.95 0.00 0.00 42.46 43.66 2yu6 s ILE 29 CO 0.00 -0.80 0.09 0.86 -1.79 0.00 0.00 174.94 173.30 2yu6 s TRP 30 N -3.53 -0.09 -0.28 1.37 -0.11 0.89 -3.66 118.94 113.53 2yu6 s TRP 30 Ca 0.14 0.28 0.01 0.00 1.22 0.00 0.00 56.10 57.76 2yu6 s TRP 30 Cb 0.04 -0.07 0.06 0.00 -1.50 0.00 0.00 33.47 32.00 2yu6 s TRP 30 CO -0.02 -0.10 -0.06 0.45 -4.62 0.00 0.00 176.95 172.60 2yu6 s SER 31 N 0.68 4.65 0.45 5.86 0.15 -1.26 -2.58 113.70 121.64 2yu6 s SER 31 Ca -0.05 -1.36 0.07 0.00 0.70 0.00 0.00 55.95 55.31 2yu6 s SER 31 Cb -0.07 -1.62 -0.00 0.00 -1.71 0.00 0.00 66.02 62.61 2yu6 s SER 31 CO -0.03 -0.22 0.42 0.28 1.20 0.00 0.00 173.24 174.89 2yu6 s THR 32 N 1.16 2.49 0.42 6.45 -1.32 -1.26 -5.00 115.64 118.58 2yu6 s THR 32 Ca -0.07 -1.33 -0.26 0.00 -1.21 0.00 0.00 61.69 58.82 2yu6 s THR 32 Cb -0.20 -2.82 -0.10 0.00 -1.51 0.00 0.00 72.50 67.88 2yu6 s THR 32 CO -0.03 0.00 1.33 1.07 -2.21 0.00 0.00 174.62 174.77 2yu6 n THR 33 N -1.64 2.50 0.98 5.08 5.66 -1.26 -4.50 114.28 121.10 2yu6 n THR 33 Ca 0.04 -0.50 0.04 0.00 -3.05 0.00 0.00 64.05 60.58 2yu6 n THR 33 Cb 0.62 -1.66 0.26 0.00 -1.55 0.00 0.00 70.33 67.99 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 0.08 0.49 0.04 1.09 -0.04 -1.26 -2.11 135.00 133.29 2yu6 n PRO 34 Ca 0.06 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.63 2yu6 n PRO 34 Cb 0.40 -1.28 -0.01 0.00 -0.04 0.00 0.00 33.50 32.57 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 -0.78 0.58 -0.50 3.54 2.88 -1.26 -4.17 113.62 113.91 2yu6 n SER 35 Ca 0.07 -0.07 0.06 0.00 -1.33 0.00 0.00 58.87 57.60 2yu6 n SER 35 Cb 0.03 0.87 0.12 0.00 -0.75 0.00 0.00 64.21 64.48 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 -2.15 1.56 -0.09 -3.46 3.02 -0.89 -4.78 115.26 108.46 2yu6 n ASN 36 Ca 0.01 -2.99 -0.18 0.00 -0.03 0.00 0.00 54.58 51.39 2yu6 n ASN 36 Cb 0.48 -0.40 -0.10 0.00 -0.61 0.00 0.00 39.78 39.14 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 0.43 0.00 -0.73 3.52 5.08 -1.71 -3.35 114.58 117.83 2yu6 h GLU 37 Ca -0.03 0.00 0.22 0.00 -1.00 0.00 0.00 59.36 58.55 2yu6 h GLU 37 Cb 1.19 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.31 2yu6 h GLU 37 CO 0.01 0.84 0.11 -2.13 -1.00 0.00 0.00 179.01 176.84 2yu6 n ARG 38 N -4.50 -0.05 0.04 2.33 0.00 -1.26 -0.27 116.66 112.94 2yu6 n ARG 38 Ca -0.24 1.07 -0.01 0.00 -0.00 0.00 0.00 57.85 58.66 2yu6 n ARG 38 Cb 0.57 -1.74 -0.01 0.00 0.00 0.00 0.00 32.46 31.28 2yu6 n ARG 38 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.63 179.20 2yu6 h LYS 39 N 0.00 -0.09 -0.91 -0.14 2.10 -1.93 0.32 116.57 115.91 2yu6 h LYS 39 Ca 0.48 0.01 0.26 0.00 -2.00 0.00 0.00 60.65 59.40 2yu6 h LYS 39 Cb 1.08 0.02 -0.15 0.00 -0.90 0.00 0.00 32.23 32.28 2yu6 h LYS 39 CO -0.65 -0.06 0.23 -0.07 -2.00 0.00 0.00 179.45 176.90 2yu6 h LEU 40 N -0.11 -0.05 0.44 7.07 3.38 -1.11 0.70 115.31 125.63 2yu6 h LEU 40 Ca -0.01 0.22 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 2yu6 h LEU 40 Cb 0.07 0.31 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2yu6 h LEU 40 CO 0.02 -0.22 -0.21 -1.13 0.09 0.00 0.00 178.44 176.99 2yu6 h ASN 41 N 0.16 -0.50 0.26 -0.43 -1.24 -0.62 -2.43 115.58 110.77 2yu6 h ASN 41 Ca 0.59 0.02 -0.00 0.00 0.71 0.00 0.00 56.30 57.62 2yu6 h ASN 41 Cb 1.25 0.13 -0.02 0.00 0.73 0.00 0.00 38.32 40.40 2yu6 h ASN 41 CO -0.71 -0.27 -0.39 -0.09 -1.29 0.00 0.00 177.43 174.68 2yu6 h ARG 42 N -0.77 -0.66 -0.99 6.67 9.65 0.45 -2.37 114.38 126.36 2yu6 h ARG 42 Ca -0.06 0.05 0.26 0.00 -1.10 0.00 0.00 59.98 59.13 2yu6 h ARG 42 Cb 0.45 0.15 -0.18 0.00 -1.39 0.00 0.00 29.97 29.00 2yu6 h ARG 42 CO 0.10 -0.44 -0.01 0.00 2.80 0.00 0.00 179.97 182.42 2yu6 h ALA 43 N -0.98 1.11 -0.98 2.80 0.00 0.25 0.68 119.26 122.14 2yu6 h ALA 43 Ca -0.03 0.35 0.33 0.00 0.00 0.00 0.00 54.91 55.56 2yu6 h ALA 43 Cb 0.63 0.62 -0.17 0.00 0.00 0.00 0.00 17.79 18.87 2yu6 h ALA 43 CO -0.12 -0.55 0.39 0.35 0.00 0.00 0.00 179.25 179.33 2yu6 h PHE 44 N 0.01 0.60 0.00 0.00 3.04 -0.90 1.12 116.94 120.81 2yu6 h PHE 44 Ca 0.58 0.05 -0.15 0.00 3.98 0.00 0.00 57.97 62.44 2yu6 h PHE 44 Cb 1.17 -0.10 -0.02 0.00 2.56 0.00 0.00 35.95 39.56 2yu6 h PHE 44 CO -0.53 -0.34 -0.95 -1.49 -2.02 0.00 0.00 178.31 172.98 2yu6 h TRP 45 N 0.13 0.00 0.00 0.41 6.55 0.24 -3.35 115.95 119.93 2yu6 h TRP 45 Ca 0.72 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.56 2yu6 h TRP 45 Cb 1.69 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.99 2yu6 h TRP 45 CO -0.15 0.97 0.14 0.39 -1.05 0.00 0.00 178.44 178.74 2yu6 n GLU 46 N -4.51 0.09 -4.42 0.49 1.02 -0.08 -4.60 120.64 108.64 2yu6 n GLU 46 Ca -0.23 0.56 -0.21 0.00 -0.02 0.00 0.00 57.16 57.26 2yu6 n GLU 46 Cb 0.53 -1.94 -0.10 0.00 -0.02 0.00 0.00 31.44 29.91 2yu6 n GLU 46 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2yu6 s SER 47 N -3.52 2.07 -0.06 1.62 0.01 0.38 -4.81 113.70 109.39 2yu6 s SER 47 Ca -0.02 -1.49 -0.13 0.00 1.31 0.00 0.00 55.95 55.62 2yu6 s SER 47 Cb 0.04 0.21 -0.09 0.00 0.21 0.00 0.00 66.02 66.39 2yu6 s SER 47 CO 0.12 -0.77 0.53 0.28 0.41 0.00 0.00 173.24 173.81 2yu6 h SER 48 N 2.11 -0.24 -3.97 2.44 0.02 -1.79 -3.43 113.55 108.70 2yu6 h SER 48 Ca -0.38 -0.15 -0.40 0.00 -0.84 0.00 0.00 61.79 60.03 2yu6 h SER 48 Cb 1.25 0.06 -0.14 0.00 0.14 0.00 0.00 62.40 63.71 2yu6 h SER 48 CO 0.61 0.28 -0.61 -0.63 -1.14 0.00 0.00 176.83 175.34 2yu6 s ILE 49 N -2.80 0.83 -0.28 3.27 1.01 -1.26 -4.94 121.20 117.03 2yu6 s ILE 49 Ca -0.08 -2.00 -0.01 0.00 0.00 0.00 0.00 60.65 58.56 2yu6 s ILE 49 Cb 0.00 -2.71 0.09 0.00 0.01 0.00 0.00 42.46 39.86 2yu6 s ILE 49 CO 0.26 0.00 0.08 -0.69 0.00 0.00 0.00 174.94 174.59 2yu6 s VAL 50 N -3.56 0.74 0.02 2.92 1.01 -1.26 -2.44 120.40 117.82 2yu6 s VAL 50 Ca 0.37 -1.16 -0.28 0.00 0.00 0.00 0.00 61.98 60.92 2yu6 s VAL 50 Cb 0.08 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 2yu6 s VAL 50 CO 0.14 -0.56 0.88 -0.31 0.00 0.00 0.00 175.10 175.25 2yu6 s TYR 51 N 1.71 3.69 -0.22 5.22 2.02 -0.22 -0.13 117.35 129.42 2yu6 s TYR 51 Ca 0.07 1.58 -0.00 0.00 -0.37 0.00 0.00 57.07 58.35 2yu6 s TYR 51 Cb -0.17 -2.98 0.06 0.00 -0.40 0.00 0.00 41.96 38.46 2yu6 s TYR 51 CO -0.22 0.11 -0.04 -0.51 -1.57 0.00 0.00 175.55 173.32 2yu6 s LEU 52 N 0.54 2.17 -0.62 -1.29 1.43 -0.54 -1.59 118.68 118.78 2yu6 s LEU 52 Ca 0.45 -1.04 -0.22 0.00 -1.03 0.00 0.00 54.13 52.30 2yu6 s LEU 52 Cb -0.21 -1.03 0.08 0.00 0.03 0.00 0.00 46.19 45.06 2yu6 s LEU 52 CO 0.25 -0.24 0.87 -0.69 0.23 0.00 0.00 176.35 176.78 2yu6 s VAL 53 N 1.52 4.49 0.08 -1.59 1.01 0.50 -0.31 120.40 126.09 2yu6 s VAL 53 Ca -0.04 -0.47 -0.21 0.00 0.00 0.00 0.00 61.98 61.25 2yu6 s VAL 53 Cb -0.18 -4.60 -0.07 0.00 0.00 0.00 0.00 36.38 31.54 2yu6 s VAL 53 CO -0.07 -1.30 0.64 -0.36 0.00 0.00 0.00 175.10 174.01 2yu6 s PHE 54 N 3.61 3.80 -0.26 5.22 0.40 0.58 -2.09 117.98 129.25 2yu6 s PHE 54 Ca 0.20 1.36 -0.03 0.00 -0.60 0.00 0.00 56.93 57.86 2yu6 s PHE 54 Cb -0.18 -2.61 0.14 0.00 0.51 0.00 0.00 43.02 40.88 2yu6 s PHE 54 CO 0.10 0.51 0.45 0.45 0.70 0.00 0.00 175.22 177.42 2yu6 s SER 55 N -0.87 -0.26 0.29 1.36 0.15 -0.95 -2.47 113.70 110.95 2yu6 s SER 55 Ca 0.32 0.50 -0.29 0.00 0.70 0.00 0.00 55.95 57.17 2yu6 s SER 55 Cb -0.20 1.44 -0.10 0.00 -1.71 0.00 0.00 66.02 65.44 2yu6 s SER 55 CO 0.21 -0.28 1.43 -0.69 1.20 0.00 0.00 173.24 175.11 2yu6 s VAL 56 N 2.64 2.52 0.23 4.45 1.01 -1.26 -3.80 120.40 126.19 2yu6 s VAL 56 Ca 0.13 0.47 -0.06 0.00 0.00 0.00 0.00 61.98 62.52 2yu6 s VAL 56 Cb -0.15 -3.30 0.19 0.00 0.00 0.00 0.00 36.38 33.13 2yu6 s VAL 56 CO -0.17 0.09 1.83 1.56 0.00 0.00 0.00 175.10 178.41 2yu6 h GLN 57 N 4.33 0.83 0.39 2.72 1.08 -1.65 -3.13 115.11 119.67 2yu6 h GLN 57 Ca -0.47 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 56.66 2yu6 h GLN 57 Cb 1.22 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 28.47 2yu6 h GLN 57 CO 0.73 0.55 -0.21 0.78 -0.95 0.00 0.00 178.83 179.72 2yu6 h GLY 58 N 0.85 -0.68 -1.88 3.46 0.00 -1.82 -3.44 103.07 99.56 2yu6 h GLY 58 Ca 0.36 0.27 -0.52 0.00 0.00 0.00 0.00 47.33 47.44 2yu6 h GLY 58 CO -0.19 -0.24 -0.76 -1.26 0.00 0.00 0.00 176.54 174.09 2yu6 n SER 59 N -3.59 -2.34 -0.13 0.19 2.88 -1.18 -4.97 113.62 104.48 2yu6 n SER 59 Ca -0.07 0.23 -0.18 0.00 -1.33 0.00 0.00 58.87 57.52 2yu6 n SER 59 Cb 0.22 -1.13 -0.11 0.00 -0.75 0.00 0.00 64.21 62.44 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 1.71 -0.35 3.91 0.46 0.00 -1.26 -4.83 105.19 104.83 2yu6 n GLY 60 Ca 0.05 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.50 2.64 -0.51 1.61 3.76 -1.26 -4.41 115.29 114.62 2yu6 s HIS 61 Ca -0.34 0.64 -0.27 0.00 -0.15 0.00 0.00 55.06 54.94 2yu6 s HIS 61 Cb 0.09 -3.63 0.03 0.00 1.11 0.00 0.00 32.58 30.18 2yu6 s HIS 61 CO 0.57 -1.96 1.07 -0.06 -0.85 0.00 0.00 174.74 173.51 2yu6 s PHE 62 N -3.64 2.79 0.65 1.40 0.08 0.11 -4.73 117.98 114.64 2yu6 s PHE 62 Ca 0.65 0.44 0.17 0.00 0.12 0.00 0.00 56.93 58.31 2yu6 s PHE 62 Cb -0.09 -4.28 0.86 0.00 -0.57 0.00 0.00 43.02 38.93 2yu6 s PHE 62 CO 0.50 -1.32 1.47 1.96 -0.10 0.00 0.00 175.22 177.73 2yu6 h GLN 63 N 9.28 0.00 0.00 0.44 7.50 -1.81 -3.07 115.11 127.45 2yu6 h GLN 63 Ca -0.24 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.91 2yu6 h GLN 63 Cb 1.07 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.60 2yu6 h GLN 63 CO 1.11 0.00 0.00 0.41 -1.50 0.00 0.00 178.83 178.85 2yu6 n GLY 64 N -1.42 1.29 3.46 3.46 0.00 -1.03 -4.64 105.19 106.31 2yu6 n GLY 64 Ca 0.03 -2.28 -0.22 0.00 0.00 0.00 0.00 46.02 43.54 2yu6 n GLY 64 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2yu6 s PHE 65 N -1.24 2.06 -0.19 1.61 -0.71 -1.25 -0.31 117.98 117.95 2yu6 s PHE 65 Ca 0.00 -0.74 -0.12 0.00 -1.04 0.00 0.00 56.93 55.03 2yu6 s PHE 65 Cb 0.00 -1.25 0.06 0.00 -1.21 0.00 0.00 43.02 40.62 2yu6 s PHE 65 CO 0.00 0.26 0.46 -1.12 -1.34 0.00 0.00 175.22 173.48 2yu6 s SER 66 N -3.50 -0.58 -0.12 1.98 0.01 0.58 -3.41 113.70 108.67 2yu6 s SER 66 Ca 0.32 1.00 -0.25 0.00 1.31 0.00 0.00 55.95 58.33 2yu6 s SER 66 Cb 0.06 0.90 -0.02 0.00 0.21 0.00 0.00 66.02 67.16 2yu6 s SER 66 CO 0.14 -0.20 0.79 0.00 0.41 0.00 0.00 173.24 174.38 2yu6 s ARG 67 N 1.23 4.37 -0.10 12.44 1.70 0.30 -1.46 118.95 137.42 2yu6 s ARG 67 Ca -0.08 0.99 -0.36 0.00 -0.47 0.00 0.00 55.73 55.81 2yu6 s ARG 67 Cb -0.07 -3.52 -0.13 0.00 -0.57 0.00 0.00 34.95 30.66 2yu6 s ARG 67 CO -0.11 -0.16 1.79 -0.12 -1.08 0.00 0.00 175.30 175.62 2yu6 n MET 68 N 4.59 1.88 -0.10 3.89 0.00 0.82 -0.57 117.12 127.65 2yu6 n MET 68 Ca 0.02 0.69 -0.15 0.00 -0.00 0.00 0.00 57.70 58.27 2yu6 n MET 68 Cb 0.50 -2.48 -0.14 0.00 0.00 0.00 0.00 33.22 31.10 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 5.82 1.17 -4.30 6.12 2.88 -1.13 -4.53 113.62 119.64 2yu6 n SER 69 Ca 0.23 -0.01 -0.19 0.00 -1.33 0.00 0.00 58.87 57.56 2yu6 n SER 69 Cb 0.25 0.10 -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 -6.15 2.38 1.05 -3.46 0.15 -1.20 -4.99 113.70 101.48 2yu6 s SER 70 Ca -0.22 -0.89 -0.17 0.00 0.70 0.00 0.00 55.95 55.37 2yu6 s SER 70 Cb 0.08 -0.11 0.23 0.00 -1.71 0.00 0.00 66.02 64.50 2yu6 s SER 70 CO 0.72 -0.12 1.22 -1.83 1.20 0.00 0.00 173.24 174.43 2yu6 s GLU 71 N -3.02 -0.03 -0.14 5.44 4.04 -1.26 -4.02 118.70 119.71 2yu6 s GLU 71 Ca 0.15 -0.21 -0.15 0.00 0.04 0.00 0.00 54.97 54.80 2yu6 s GLU 71 Cb -0.04 -1.75 -0.05 0.00 0.02 0.00 0.00 34.13 32.32 2yu6 s GLU 71 CO 0.05 -2.90 0.34 0.42 -1.84 0.00 0.00 175.26 171.33 2yu6 s ILE 72 N -3.49 5.26 0.00 1.83 1.01 -1.26 -4.38 121.20 120.17 2yu6 s ILE 72 Ca 0.72 0.66 0.00 0.00 0.00 0.00 0.00 60.65 62.02 2yu6 s ILE 72 Cb -0.07 -3.68 0.00 0.00 0.01 0.00 0.00 42.46 38.72 2yu6 s ILE 72 CO 0.54 0.39 0.00 0.61 0.00 0.00 0.00 174.94 176.48 2yu6 n GLY 73 N 3.21 0.50 0.31 6.18 0.00 -0.87 -4.94 105.19 109.58 2yu6 n GLY 73 Ca -0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.21 -1.69 1.61 3.00 -1.26 -4.37 116.66 113.74 2yu6 n ARG 74 Ca 0.00 1.20 -0.43 0.00 -0.00 0.00 0.00 57.85 58.62 2yu6 n ARG 74 Cb 0.00 -1.78 -0.01 0.00 0.00 0.00 0.00 32.46 30.67 2yu6 n ARG 74 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2yu6 n GLU 75 N -5.12 2.09 -3.93 -0.14 4.07 -1.26 -4.98 120.64 111.37 2yu6 n GLU 75 Ca 0.07 0.73 -0.09 0.00 -0.06 0.00 0.00 57.16 57.81 2yu6 n GLU 75 Cb 0.29 -2.33 -0.06 0.00 -0.06 0.00 0.00 31.44 29.29 2yu6 n GLU 75 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 2yu6 s LYS 76 N -1.53 1.33 0.24 5.31 -0.14 -1.26 -3.12 119.74 120.57 2yu6 s LYS 76 Ca 0.58 -1.14 -0.18 0.00 -1.36 0.00 0.00 55.97 53.88 2yu6 s LYS 76 Cb -0.59 0.44 0.02 0.00 -1.68 0.00 0.00 37.83 36.02 2yu6 s LYS 76 CO 0.59 -0.53 0.60 0.45 -0.76 0.00 0.00 175.35 175.70 2yu6 s SER 77 N -2.97 -0.23 -0.04 2.83 0.15 -1.26 -5.01 113.70 107.17 2yu6 s SER 77 Ca 0.17 -0.62 -0.06 0.00 0.70 0.00 0.00 55.95 56.14 2yu6 s SER 77 Cb 0.01 0.65 -0.03 0.00 -1.71 0.00 0.00 66.02 64.94 2yu6 s SER 77 CO 0.02 -1.20 -0.13 1.67 1.20 0.00 0.00 173.24 174.81 2yu6 n GLN 78 N -0.40 0.21 -1.68 5.44 7.27 -1.26 -4.99 117.38 121.96 2yu6 n GLN 78 Ca -0.06 0.08 -0.43 0.00 0.07 0.00 0.00 57.00 56.66 2yu6 n GLN 78 Cb 0.61 -0.86 -0.03 0.00 2.41 0.00 0.00 30.24 32.37 2yu6 n GLN 78 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 2yu6 n ASP 79 N -3.72 3.93 -3.59 1.69 2.03 -1.26 -4.95 116.55 110.66 2yu6 n ASP 79 Ca -0.11 0.98 -0.10 0.00 0.52 0.00 0.00 54.79 56.08 2yu6 n ASP 79 Cb 0.35 -1.51 -0.06 0.00 -0.72 0.00 0.00 41.12 39.18 2yu6 n ASP 79 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 2yu6 s TRP 80 N 3.06 -0.41 0.19 -0.67 0.23 -1.26 -5.03 118.94 115.06 2yu6 s TRP 80 Ca 0.84 0.80 -0.04 0.00 -2.03 0.00 0.00 56.10 55.67 2yu6 s TRP 80 Cb -0.51 0.42 0.11 0.00 0.03 0.00 0.00 33.47 33.52 2yu6 s TRP 80 CO 0.40 -0.31 1.52 0.78 0.96 0.00 0.00 176.95 180.30 2yu6 h GLY 81 N 3.06 0.71 -6.84 0.98 0.00 -1.92 -3.41 103.07 95.65 2yu6 h GLY 81 Ca -0.22 -0.76 -0.65 0.00 0.00 0.00 0.00 47.33 45.70 2yu6 h GLY 81 CO 0.25 0.69 -0.83 -0.56 0.00 0.00 0.00 176.54 176.09 2yu6 s SER 82 N -6.88 3.50 0.49 0.19 0.01 -1.26 -4.99 113.70 104.75 2yu6 s SER 82 Ca -0.08 -0.89 0.14 0.00 1.31 0.00 0.00 55.95 56.42 2yu6 s SER 82 Cb 0.12 -1.40 1.16 0.00 0.21 0.00 0.00 66.02 66.11 2yu6 s SER 82 CO 0.85 -0.10 2.12 0.00 0.41 0.00 0.00 173.24 176.52 2yu6 h ALA 83 N 7.92 1.94 -0.23 1.44 0.00 -1.97 -3.38 119.26 124.98 2yu6 h ALA 83 Ca -0.33 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 2yu6 h ALA 83 Cb 1.10 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 2yu6 h ALA 83 CO 0.54 0.05 0.09 0.20 0.00 0.00 0.00 179.25 180.13 2yu6 s GLY 84 N -3.96 -0.95 0.28 0.00 0.00 -1.26 -4.82 107.32 96.61 2yu6 s GLY 84 Ca -0.06 -1.26 0.00 0.00 0.00 0.00 0.00 44.72 43.41 2yu6 s GLY 84 CO 0.69 4.23 0.30 1.08 0.00 0.00 0.00 173.10 179.40 2yu6 s LEU 85 N 15.90 1.22 -0.38 0.66 1.43 -1.26 -4.86 118.68 131.39 2yu6 s LEU 85 Ca 0.85 -1.48 -0.04 0.00 -1.03 0.00 0.00 54.13 52.42 2yu6 s LEU 85 Cb -0.08 0.85 0.21 0.00 0.03 0.00 0.00 46.19 47.20 2yu6 s LEU 85 CO 0.14 -1.06 1.03 -0.83 0.23 0.00 0.00 176.35 175.86 2yu6 s GLY 86 N -3.23 -1.80 0.00 -3.19 0.00 -1.26 -5.01 107.32 92.83 2yu6 s GLY 86 Ca 0.36 0.41 0.00 0.00 0.00 0.00 0.00 44.72 45.49 2yu6 s GLY 86 CO 0.19 4.19 0.00 0.61 0.00 0.00 0.00 173.10 178.09 2yu6 n GLY 87 N 2.67 1.91 3.92 0.20 0.00 -1.26 -4.69 105.19 107.94 2yu6 n GLY 87 Ca 0.13 -0.90 -0.20 0.00 0.00 0.00 0.00 46.02 45.04 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 3.89 -0.03 1.61 1.01 -1.18 -4.42 120.40 121.29 2yu6 s VAL 88 Ca 0.00 -1.18 -0.24 0.00 0.00 0.00 0.00 61.98 60.56 2yu6 s VAL 88 Cb 0.00 -3.33 0.05 0.00 0.00 0.00 0.00 36.38 33.10 2yu6 s VAL 88 CO 0.00 -0.18 0.52 0.72 0.00 0.00 0.00 175.10 176.17 2yu6 s PHE 89 N -2.22 -0.46 0.59 5.22 -0.71 -1.07 -2.05 117.98 117.29 2yu6 s PHE 89 Ca 0.42 0.74 -0.14 0.00 -1.04 0.00 0.00 56.93 56.91 2yu6 s PHE 89 Cb -0.08 0.29 -0.04 0.00 -1.21 0.00 0.00 43.02 41.97 2yu6 s PHE 89 CO 0.29 -0.53 1.03 0.15 -1.34 0.00 0.00 175.22 174.81 2yu6 s LYS 90 N -1.38 3.54 -0.04 1.99 1.02 -1.26 -0.08 119.74 123.53 2yu6 s LYS 90 Ca -0.11 0.96 -0.09 0.00 0.02 0.00 0.00 55.97 56.74 2yu6 s LYS 90 Cb -0.02 -2.07 0.02 0.00 -0.52 0.00 0.00 37.83 35.23 2yu6 s LYS 90 CO 0.07 -0.62 0.22 0.14 -0.92 0.00 0.00 175.35 174.24 2yu6 s VAL 91 N -2.80 0.04 -0.26 3.17 -7.23 0.08 -2.85 120.40 110.55 2yu6 s VAL 91 Ca 0.59 -0.32 -0.10 0.00 -1.81 0.00 0.00 61.98 60.34 2yu6 s VAL 91 Cb -0.12 -0.43 -0.04 0.00 0.56 0.00 0.00 36.38 36.35 2yu6 s VAL 91 CO 0.43 -0.18 0.14 -0.70 -0.31 0.00 0.00 175.10 174.48 2yu6 s GLU 92 N -0.67 3.87 -0.29 4.82 -6.30 0.27 -4.68 118.70 115.71 2yu6 s GLU 92 Ca -0.08 -0.37 -0.22 0.00 -2.50 0.00 0.00 54.97 51.81 2yu6 s GLU 92 Cb -0.04 -3.52 -0.01 0.00 0.00 0.00 0.00 34.13 30.56 2yu6 s GLU 92 CO 0.02 -0.13 0.69 -1.58 0.02 0.00 0.00 175.26 174.27 2yu6 s TRP 93 N 1.57 3.23 -0.21 5.30 0.52 -1.26 -0.54 118.94 127.54 2yu6 s TRP 93 Ca 0.07 0.74 -0.21 0.00 0.02 0.00 0.00 56.10 56.71 2yu6 s TRP 93 Cb -0.15 -3.03 -0.18 0.00 -1.15 0.00 0.00 33.47 28.95 2yu6 s TRP 93 CO 0.07 -0.47 0.17 -0.89 0.02 0.00 0.00 176.95 175.85 2yu6 n ILE 94 N 5.39 1.53 -4.35 2.03 -0.00 -1.22 -4.92 119.36 117.82 2yu6 n ILE 94 Ca 0.01 -0.04 -0.26 0.00 -0.00 0.00 0.00 62.75 62.46 2yu6 n ILE 94 Cb 0.49 -2.04 -0.17 0.00 -0.00 0.00 0.00 39.64 37.92 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 -2.37 1.73 0.04 0.38 1.81 -1.26 -5.00 118.95 114.28 2yu6 s ARG 95 Ca -0.29 -0.39 0.22 0.00 -1.72 0.00 0.00 55.73 53.55 2yu6 s ARG 95 Cb 0.06 -1.54 -0.23 0.00 -0.45 0.00 0.00 34.95 32.80 2yu6 s ARG 95 CO 0.58 -0.08 0.67 1.63 -0.68 0.00 0.00 175.30 177.42 2yu6 n LYS 96 N 4.22 0.62 -1.03 3.54 5.02 -1.26 -3.89 118.16 125.37 2yu6 n LYS 96 Ca -0.19 -0.10 -0.34 0.00 -2.02 0.00 0.00 58.31 55.66 2yu6 n LYS 96 Cb 0.51 -1.61 0.11 0.00 -0.02 0.00 0.00 35.03 34.02 2yu6 n LYS 96 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2yu6 n GLU 97 N -2.35 0.04 -3.62 1.97 4.07 -1.26 -4.71 120.64 114.78 2yu6 n GLU 97 Ca -0.03 0.07 -0.39 0.00 -0.06 0.00 0.00 57.16 56.76 2yu6 n GLU 97 Cb 0.56 -2.10 -0.11 0.00 -0.06 0.00 0.00 31.44 29.72 2yu6 n GLU 97 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 2yu6 s SER 98 N -1.95 5.76 -0.14 4.31 0.01 -1.26 -4.25 113.70 116.18 2yu6 s SER 98 Ca 0.66 -0.33 -0.21 0.00 1.31 0.00 0.00 55.95 57.38 2yu6 s SER 98 Cb -0.28 -2.06 -0.03 0.00 0.21 0.00 0.00 66.02 63.86 2yu6 s SER 98 CO 0.58 -0.15 0.63 -0.22 0.41 0.00 0.00 173.24 174.49 2yu6 s LEU 99 N 1.68 4.22 0.19 2.44 2.96 -1.16 -4.73 118.68 124.29 2yu6 s LEU 99 Ca 0.06 0.96 -0.30 0.00 -0.22 0.00 0.00 54.13 54.62 2yu6 s LEU 99 Cb -0.17 -2.93 -0.09 0.00 0.50 0.00 0.00 46.19 43.51 2yu6 s LEU 99 CO 0.08 -0.18 1.31 -2.16 -1.32 0.00 0.00 176.35 174.08 2yu6 s PRO 100 N 1.34 4.39 0.54 0.98 0.04 -1.26 0.10 135.00 141.13 2yu6 s PRO 100 Ca 0.31 2.04 0.40 0.00 0.04 0.00 0.00 61.00 63.79 2yu6 s PRO 100 Cb -0.16 -3.20 1.59 0.00 0.04 0.00 0.00 34.50 32.77 2yu6 s PRO 100 CO 0.13 -0.26 1.75 0.74 0.04 0.00 0.00 177.00 179.40 2yu6 h PHE 101 N 5.46 0.01 -0.74 0.56 -1.00 -1.94 0.22 116.94 119.51 2yu6 h PHE 101 Ca -0.45 0.00 0.13 0.00 2.81 0.00 0.00 57.97 60.47 2yu6 h PHE 101 Cb 1.21 -0.00 -0.09 0.00 3.61 0.00 0.00 35.95 40.68 2yu6 h PHE 101 CO 0.62 -0.00 0.29 1.96 -1.61 0.00 0.00 178.31 179.58 2yu6 h GLN 102 N 0.01 0.44 -0.49 1.51 1.08 -1.96 1.05 115.11 116.74 2yu6 h GLN 102 Ca 0.65 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.79 2yu6 h GLN 102 Cb 2.60 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 29.91 2yu6 h GLN 102 CO -0.01 0.29 0.17 0.74 -0.95 0.00 0.00 178.83 179.07 2yu6 h PHE 103 N 0.45 0.78 -0.48 2.96 -1.00 -0.94 -2.51 116.94 116.20 2yu6 h PHE 103 Ca 0.40 -0.07 -0.02 0.00 2.81 0.00 0.00 57.97 61.09 2yu6 h PHE 103 Cb 0.58 -0.23 -0.01 0.00 3.61 0.00 0.00 35.95 39.90 2yu6 h PHE 103 CO -0.16 0.67 0.03 0.00 -1.61 0.00 0.00 178.31 177.23 2yu6 n ALA 104 N -2.35 3.69 0.14 2.45 0.00 -0.42 -4.26 120.51 119.75 2yu6 n ALA 104 Ca 0.01 -1.57 -0.01 0.00 0.00 0.00 0.00 53.44 51.88 2yu6 n ALA 104 Cb 0.18 -1.12 0.16 0.00 0.00 0.00 0.00 19.45 18.67 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 3.09 0.00 0.12 0.00 6.17 0.16 -3.20 115.15 121.49 2yu6 h HIS 105 Ca 0.02 0.00 -0.29 0.00 0.71 0.00 0.00 60.37 60.81 2yu6 h HIS 105 Cb 1.73 0.00 -0.00 0.00 2.52 0.00 0.00 27.41 31.66 2yu6 h HIS 105 CO 0.90 0.61 -1.43 1.12 0.71 0.00 0.00 177.93 179.85 2yu6 h HIS 106 N 0.00 0.45 -3.18 5.26 2.07 -1.77 -3.46 115.15 114.53 2yu6 h HIS 106 Ca -0.01 -0.33 -0.53 0.00 -2.85 0.00 0.00 60.37 56.66 2yu6 h HIS 106 Cb 1.15 -0.02 0.05 0.00 2.57 0.00 0.00 27.41 31.16 2yu6 h HIS 106 CO 0.00 1.33 0.80 -0.51 -3.07 0.00 0.00 177.93 176.48 2yu6 s LEU 107 N -7.02 4.38 0.29 6.12 1.43 -1.21 -4.99 118.68 117.69 2yu6 s LEU 107 Ca -0.07 2.64 0.02 0.00 -1.03 0.00 0.00 54.13 55.69 2yu6 s LEU 107 Cb 0.07 -3.61 -0.05 0.00 0.03 0.00 0.00 46.19 42.63 2yu6 s LEU 107 CO 0.86 -0.74 0.11 -0.76 0.23 0.00 0.00 176.35 176.05 2yu6 s LEU 108 N 0.20 1.74 -0.34 1.79 1.43 -1.26 -2.13 118.68 120.11 2yu6 s LEU 108 Ca 0.63 -1.44 0.02 0.00 -1.03 0.00 0.00 54.13 52.31 2yu6 s LEU 108 Cb -0.42 -0.00 0.09 0.00 0.03 0.00 0.00 46.19 45.88 2yu6 s LEU 108 CO 0.39 -0.76 0.06 0.21 0.23 0.00 0.00 176.35 176.47 2yu6 s ASN 109 N -3.37 4.85 0.00 2.29 3.84 0.45 -4.59 114.94 118.41 2yu6 s ASN 109 Ca 0.36 -1.91 0.09 0.00 0.21 0.00 0.00 52.86 51.61 2yu6 s ASN 109 Cb 0.07 -1.67 0.54 0.00 -0.55 0.00 0.00 41.25 39.63 2yu6 s ASN 109 CO 0.15 -0.38 0.98 -0.81 -2.79 0.00 0.00 177.10 174.25 2yu6 n PRO 110 N 4.40 0.49 0.07 0.43 -0.04 -1.26 -1.40 135.00 137.69 2yu6 n PRO 110 Ca -0.02 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.53 2yu6 n PRO 110 Cb 0.42 -1.29 -0.04 0.00 -0.04 0.00 0.00 33.50 32.55 2yu6 n PRO 110 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 2yu6 n TRP 111 N -0.79 0.81 -3.19 0.54 7.02 -1.26 -4.36 117.44 116.21 2yu6 n TRP 111 Ca 0.07 0.24 -0.23 0.00 -1.02 0.00 0.00 57.50 56.56 2yu6 n TRP 111 Cb 0.03 -0.92 -0.05 0.00 -2.42 0.00 0.00 31.31 27.95 2yu6 n TRP 111 CO 0.00 0.00 0.00 0.27 -2.02 0.00 0.00 177.69 175.94 2yu6 n ASN 112 N -2.65 1.95 -2.99 -0.99 6.94 -0.93 -4.90 115.26 111.68 2yu6 n ASN 112 Ca -0.03 -3.14 -0.16 0.00 -0.02 0.00 0.00 54.58 51.23 2yu6 n ASN 112 Cb 0.62 -0.62 0.07 0.00 -2.36 0.00 0.00 39.78 37.48 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 0.64 -3.66 -3.60 0.53 9.92 -1.26 -2.73 116.55 116.40 2yu6 n ASP 113 Ca 0.26 -0.47 -0.29 0.00 -0.53 0.00 0.00 54.79 53.75 2yu6 n ASP 113 Cb 0.52 -4.23 -0.05 0.00 -0.64 0.00 0.00 41.12 36.71 2yu6 n ASP 113 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 2yu6 n ASN 114 N -2.47 -1.28 -4.75 -2.24 2.85 -0.49 -4.82 115.26 102.05 2yu6 n ASN 114 Ca -0.12 -0.84 -0.40 0.00 -0.11 0.00 0.00 54.58 53.11 2yu6 n ASN 114 Cb 0.60 -1.12 -0.06 0.00 1.24 0.00 0.00 39.78 40.43 2yu6 n ASN 114 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 2yu6 s LYS 115 N -5.38 4.82 0.06 1.20 -0.14 -0.97 -4.37 119.74 114.95 2yu6 s LYS 115 Ca 0.57 1.46 -0.36 0.00 -1.36 0.00 0.00 55.97 56.29 2yu6 s LYS 115 Cb -0.33 -3.29 -0.19 0.00 -1.68 0.00 0.00 37.83 32.34 2yu6 s LYS 115 CO 0.70 0.49 0.89 1.17 -0.76 0.00 0.00 175.35 177.84 2yu6 n LYS 116 N 1.66 0.00 -0.12 1.68 4.81 -1.26 -0.41 118.16 124.52 2yu6 n LYS 116 Ca -0.02 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.37 2yu6 n LYS 116 Cb 0.47 -1.33 -0.04 0.00 0.02 0.00 0.00 35.03 34.16 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 2.37 0.00 -0.79 3.15 2.07 -1.68 0.24 116.25 121.62 2yu6 h VAL 117 Ca -0.43 0.00 0.33 0.00 0.82 0.00 0.00 66.70 67.42 2yu6 h VAL 117 Cb 1.40 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 31.03 2yu6 h VAL 117 CO 0.61 0.00 0.42 0.00 0.02 0.00 0.00 177.57 178.62 2yu6 n GLN 118 N -3.87 -0.05 -1.07 1.57 -0.00 -1.26 -2.75 117.38 109.96 2yu6 n GLN 118 Ca -0.00 1.10 -0.43 0.00 -0.00 0.00 0.00 57.00 57.66 2yu6 n GLN 118 Cb 0.12 -1.97 -0.07 0.00 -0.00 0.00 0.00 30.24 28.33 2yu6 n GLN 118 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 2yu6 n ILE 119 N -4.80 1.52 -4.29 -0.39 5.41 0.85 -4.81 119.36 112.86 2yu6 n ILE 119 Ca 0.30 -1.34 -0.15 0.00 1.00 0.00 0.00 62.75 62.56 2yu6 n ILE 119 Cb 1.02 -2.26 -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 -0.94 0.00 0.00 0.00 176.55 175.61 2yu6 s SER 120 N 5.37 0.95 0.32 4.38 1.04 -1.11 -4.81 113.70 119.84 2yu6 s SER 120 Ca 0.60 -1.37 0.07 0.00 0.48 0.00 0.00 55.95 55.72 2yu6 s SER 120 Cb 0.14 0.21 -0.06 0.00 0.10 0.00 0.00 66.02 66.41 2yu6 s SER 120 CO 0.16 -0.75 -0.04 -0.13 0.98 0.00 0.00 173.24 173.46 2yu6 s ARG 121 N -4.06 1.68 0.23 4.02 0.52 -1.26 -5.03 118.95 115.05 2yu6 s ARG 121 Ca 0.37 -1.88 -0.32 0.00 -0.52 0.00 0.00 55.73 53.38 2yu6 s ARG 121 Cb 0.08 -1.30 -0.13 0.00 0.52 0.00 0.00 34.95 34.11 2yu6 s ARG 121 CO 0.13 0.02 1.43 -0.40 0.02 0.00 0.00 175.30 176.49 2yu6 n ASP 122 N -0.70 2.79 -2.66 0.23 5.75 -1.26 -2.48 116.55 118.23 2yu6 n ASP 122 Ca -0.05 1.13 -0.13 0.00 -0.01 0.00 0.00 54.79 55.74 2yu6 n ASP 122 Cb 0.64 -1.43 0.06 0.00 -1.03 0.00 0.00 41.12 39.37 2yu6 n ASP 122 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2yu6 n GLY 123 N 2.32 -0.10 3.76 6.12 0.00 -0.80 -4.93 105.19 111.56 2yu6 n GLY 123 Ca 0.12 -0.07 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 2yu6 n GLY 123 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2yu6 s GLN 124 N -5.21 2.73 0.05 1.61 2.00 -1.03 -4.98 119.66 114.83 2yu6 s GLN 124 Ca 0.11 -1.11 -0.17 0.00 -2.00 0.00 0.00 55.36 52.19 2yu6 s GLN 124 Cb -0.05 -2.47 -0.06 0.00 0.80 0.00 0.00 33.01 31.23 2yu6 s GLN 124 CO 0.50 0.41 0.51 -1.21 -0.50 0.00 0.00 175.29 175.00 2yu6 s GLU 125 N -3.59 4.08 -0.06 1.67 2.02 -1.26 -3.32 118.70 118.24 2yu6 s GLU 125 Ca 0.32 0.60 0.02 0.00 0.02 0.00 0.00 54.97 55.92 2yu6 s GLU 125 Cb -0.08 -3.21 0.02 0.00 0.10 0.00 0.00 34.13 30.95 2yu6 s GLU 125 CO 0.23 0.65 -0.09 -1.17 0.02 0.00 0.00 175.26 174.89 2yu6 s LEU 126 N -1.16 1.50 0.57 1.80 2.96 -1.17 -4.95 118.68 118.24 2yu6 s LEU 126 Ca 0.28 -0.24 -0.21 0.00 -0.22 0.00 0.00 54.13 53.73 2yu6 s LEU 126 Cb -0.18 -0.71 -0.04 0.00 0.50 0.00 0.00 46.19 45.76 2yu6 s LEU 126 CO 0.17 -0.01 1.34 -1.61 -1.32 0.00 0.00 176.35 174.92 2yu6 s GLU 127 N 0.83 3.02 0.50 1.98 8.01 -1.26 -4.24 118.70 127.55 2yu6 s GLU 127 Ca -0.12 2.19 0.32 0.00 0.01 0.00 0.00 54.97 57.37 2yu6 s GLU 127 Cb -0.15 -2.17 1.34 0.00 -4.31 0.00 0.00 34.13 28.85 2yu6 s GLU 127 CO 0.02 -1.27 1.95 -1.00 0.01 0.00 0.00 175.26 174.97 2yu6 h PRO 128 N 1.26 0.00 0.08 0.39 0.13 -1.95 0.36 132.00 132.27 2yu6 h PRO 128 Ca -0.51 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.47 2yu6 h PRO 128 Cb 1.31 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.44 2yu6 h PRO 128 CO 0.56 0.00 -0.70 0.37 -0.23 0.00 0.00 178.00 178.00 2yu6 h GLN 129 N 0.00 0.17 0.00 0.86 -0.00 -1.99 -2.97 115.11 111.18 2yu6 h GLN 129 Ca 0.00 -0.30 -0.08 0.00 -0.00 0.00 0.00 58.65 58.27 2yu6 h GLN 129 Cb 0.46 0.11 -0.01 0.00 0.00 0.00 0.00 27.48 28.04 2yu6 h GLN 129 CO 0.00 1.14 -0.75 -0.39 0.00 0.00 0.00 178.83 178.83 2yu6 h VAL 130 N -0.61 0.45 0.00 2.39 -1.51 -1.86 -3.08 116.25 112.04 2yu6 h VAL 130 Ca -0.14 -1.72 -0.01 0.00 -1.23 0.00 0.00 66.70 63.60 2yu6 h VAL 130 Cb 1.44 2.07 -0.00 0.00 -2.13 0.00 0.00 31.29 32.67 2yu6 h VAL 130 CO 0.06 0.26 -0.16 1.23 -1.23 0.00 0.00 177.57 177.73 2yu6 h GLY 131 N 3.74 0.00 0.60 5.19 0.00 -0.41 -2.86 103.07 109.32 2yu6 h GLY 131 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.94 2yu6 h GLY 131 CO 0.04 0.00 -1.83 1.05 0.00 0.00 0.00 176.54 175.80 2yu6 h GLU 132 N 0.00 0.26 0.00 4.80 4.11 -1.59 -3.34 114.58 118.82 2yu6 h GLU 132 Ca -0.00 -0.45 0.00 0.00 0.07 0.00 0.00 59.36 58.98 2yu6 h GLU 132 Cb 1.05 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2yu6 h GLU 132 CO 0.01 1.21 0.00 0.00 0.07 0.00 0.00 179.01 180.30 2yu6 n GLN 133 N -3.64 0.04 0.10 1.06 10.64 -1.16 -3.06 117.38 121.36 2yu6 n GLN 133 Ca -0.30 0.09 -0.16 0.00 -1.83 0.00 0.00 57.00 54.79 2yu6 n GLN 133 Cb 1.00 -1.50 -0.14 0.00 -0.86 0.00 0.00 30.24 28.74 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 0.44 0.04 2.61 5.85 -1.63 -3.34 115.31 119.29 2yu6 h LEU 134 Ca 0.00 -0.49 -0.00 0.00 0.84 0.00 0.00 57.88 58.23 2yu6 h LEU 134 Cb 0.39 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.27 2yu6 h LEU 134 CO 0.00 1.39 -0.02 -0.07 -0.34 0.00 0.00 178.44 179.40 2yu6 h LEU 135 N 0.08 -0.05 -1.85 2.25 3.38 -1.66 -3.17 115.31 114.29 2yu6 h LEU 135 Ca -0.16 -0.57 0.44 0.00 0.09 0.00 0.00 57.88 57.68 2yu6 h LEU 135 Cb 1.99 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 42.69 2yu6 h LEU 135 CO 0.20 0.58 1.18 0.06 0.09 0.00 0.00 178.44 180.54 2yu6 h GLN 136 N -0.71 0.00 -0.68 1.13 3.07 -1.70 0.33 115.11 116.55 2yu6 h GLN 136 Ca -0.01 0.00 0.13 0.00 0.09 0.00 0.00 58.65 58.87 2yu6 h GLN 136 Cb 0.62 0.00 -0.09 0.00 0.08 0.00 0.00 27.48 28.08 2yu6 h GLN 136 CO 0.01 0.00 0.20 -0.07 0.09 0.00 0.00 178.83 179.06 2yu6 h LEU 137 N 0.00 0.10 -1.16 0.06 3.38 -1.66 0.41 115.31 116.44 2yu6 h LEU 137 Ca 0.72 0.12 0.27 0.00 0.09 0.00 0.00 57.88 59.08 2yu6 h LEU 137 Cb 3.06 0.14 -0.12 0.00 0.09 0.00 0.00 40.66 43.84 2yu6 h LEU 137 CO -0.01 0.04 0.63 -0.50 0.09 0.00 0.00 178.44 178.69 2yu6 h TRP 138 N 0.33 0.85 0.00 1.13 6.55 -0.53 0.90 115.95 125.18 2yu6 h TRP 138 Ca 0.37 0.03 -0.05 0.00 0.95 0.00 0.00 58.89 60.19 2yu6 h TRP 138 Cb 0.57 -0.24 -0.01 0.00 -0.86 0.00 0.00 29.16 28.62 2yu6 h TRP 138 CO -0.22 0.03 -0.23 0.93 -1.05 0.00 0.00 178.44 177.90 2yu6 h GLU 139 N 0.47 0.00 -0.13 0.49 5.08 -1.06 -2.42 114.58 117.01 2yu6 h GLU 139 Ca 0.64 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.89 2yu6 h GLU 139 Cb 1.44 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.67 2yu6 h GLU 139 CO -0.42 0.23 -0.44 0.00 -1.00 0.00 0.00 179.01 177.38 2yu6 h ARG 140 N 0.00 0.30 0.00 2.33 2.47 0.90 -3.53 114.38 116.85 2yu6 h ARG 140 Ca -0.00 -0.15 0.00 0.00 -1.26 0.00 0.00 59.98 58.56 2yu6 h ARG 140 Cb 0.47 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.79 2yu6 h ARG 140 CO 0.03 0.69 0.00 1.28 0.56 0.00 0.00 179.97 182.53