#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 4.20 0.00 1.61 1.04 -1.26 -5.07 113.70 114.23 2yu6 s SER 2 Ca 0.00 -0.62 -0.05 0.00 0.48 0.00 0.00 55.95 55.77 2yu6 s SER 2 Cb 0.00 -0.69 -0.02 0.00 0.10 0.00 0.00 66.02 65.42 2yu6 s SER 2 CO 0.00 0.10 -0.10 -1.20 0.98 0.00 0.00 173.24 173.02 2yu6 n SER 3 N -0.03 1.11 0.00 7.02 7.64 -1.26 -5.12 113.62 122.98 2yu6 n SER 3 Ca -0.10 0.16 0.00 0.00 1.01 0.00 0.00 58.87 59.94 2yu6 n SER 3 Cb 0.56 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 2yu6 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yu6 n GLY 4 N 2.79 1.40 3.90 0.23 0.00 -1.26 -5.07 105.19 107.19 2yu6 n GLY 4 Ca -0.04 -0.74 -0.29 0.00 0.00 0.00 0.00 46.02 44.96 2yu6 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yu6 s SER 5 N -4.00 5.45 0.00 1.61 0.01 -1.26 -5.02 113.70 110.49 2yu6 s SER 5 Ca 0.00 0.97 0.00 0.00 1.31 0.00 0.00 55.95 58.23 2yu6 s SER 5 Cb 0.00 -1.82 0.00 0.00 0.21 0.00 0.00 66.02 64.41 2yu6 s SER 5 CO 0.00 -1.27 0.00 -1.54 0.41 0.00 0.00 173.24 170.84 2yu6 n SER 6 N -2.88 1.94 0.00 2.44 3.41 -1.26 -5.17 113.62 112.10 2yu6 n SER 6 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 2yu6 n SER 6 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 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 2.64 -2.89 3.81 5.00 0.00 -1.26 -5.01 105.19 107.48 2yu6 n GLY 7 Ca 0.00 -2.15 -0.34 0.00 0.00 0.00 0.00 46.02 43.53 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 -0.74 4.32 0.48 1.61 0.11 -1.26 -3.04 120.40 121.88 2yu6 s VAL 8 Ca 0.00 1.55 0.08 0.00 -2.93 0.00 0.00 61.98 60.68 2yu6 s VAL 8 Cb 0.00 -3.69 0.03 0.00 -1.53 0.00 0.00 36.38 31.20 2yu6 s VAL 8 CO 0.00 -0.21 0.61 -0.60 -3.33 0.00 0.00 175.10 171.57 2yu6 s ARG 9 N -2.92 2.57 -0.01 1.54 6.06 -0.79 -4.93 118.95 120.46 2yu6 s ARG 9 Ca 0.59 -1.48 0.00 0.00 -2.50 0.00 0.00 55.73 52.35 2yu6 s ARG 9 Cb -0.12 -2.62 0.01 0.00 0.06 0.00 0.00 34.95 32.29 2yu6 s ARG 9 CO 0.16 -0.49 -0.00 0.71 -2.50 0.00 0.00 175.30 173.18 2yu6 s TYR 10 N -2.51 0.17 -0.04 5.12 1.51 -1.26 -0.61 117.35 119.74 2yu6 s TYR 10 Ca 0.55 0.01 -0.02 0.00 -1.01 0.00 0.00 57.07 56.60 2yu6 s TYR 10 Cb -0.07 -0.21 0.02 0.00 -0.11 0.00 0.00 41.96 41.59 2yu6 s TYR 10 CO 0.34 -0.05 0.09 -0.06 -1.11 0.00 0.00 175.55 174.75 2yu6 s PHE 11 N 0.46 -0.09 -0.45 2.71 0.08 -0.28 -1.86 117.98 118.57 2yu6 s PHE 11 Ca -0.04 0.28 -0.21 0.00 0.12 0.00 0.00 56.93 57.08 2yu6 s PHE 11 Cb -0.07 -0.06 0.03 0.00 -0.57 0.00 0.00 43.02 42.35 2yu6 s PHE 11 CO -0.01 -0.09 0.69 0.42 -0.10 0.00 0.00 175.22 176.13 2yu6 s ILE 12 N 0.60 4.76 -0.31 0.64 -1.09 -1.10 -1.74 121.20 122.96 2yu6 s ILE 12 Ca -0.05 0.18 -0.10 0.00 -2.23 0.00 0.00 60.65 58.45 2yu6 s ILE 12 Cb -0.06 -4.26 -0.01 0.00 -1.58 0.00 0.00 42.46 36.55 2yu6 s ILE 12 CO -0.02 -0.66 0.16 -0.04 -1.23 0.00 0.00 174.94 173.15 2yu6 s MET 13 N 2.98 3.38 0.33 2.79 -1.94 -0.84 -2.19 119.30 123.80 2yu6 s MET 13 Ca 0.25 -0.69 -0.06 0.00 -1.71 0.00 0.00 55.69 53.47 2yu6 s MET 13 Cb -0.14 -3.59 -0.05 0.00 2.01 0.00 0.00 34.83 33.06 2yu6 s MET 13 CO 0.20 -0.41 0.61 0.15 -0.01 0.00 0.00 175.02 175.56 2yu6 s LYS 14 N 1.63 3.65 0.03 2.03 -0.14 -1.26 -2.56 119.74 123.12 2yu6 s LYS 14 Ca 0.05 0.09 0.04 0.00 -1.36 0.00 0.00 55.97 54.78 2yu6 s LYS 14 Cb -0.17 -2.58 -0.02 0.00 -1.68 0.00 0.00 37.83 33.38 2yu6 s LYS 14 CO 0.07 0.14 -0.11 -1.12 -0.76 0.00 0.00 175.35 173.56 2yu6 s SER 15 N -3.26 1.31 0.07 2.83 0.01 -1.18 -4.91 113.70 108.57 2yu6 s SER 15 Ca 0.45 -0.41 -0.21 0.00 1.31 0.00 0.00 55.95 57.10 2yu6 s SER 15 Cb -0.11 -0.07 -0.11 0.00 0.21 0.00 0.00 66.02 65.94 2yu6 s SER 15 CO 0.31 -0.01 1.54 0.28 0.41 0.00 0.00 173.24 175.78 2yu6 h SER 16 N 5.05 0.27 -5.62 2.44 0.02 -1.98 -2.07 113.55 111.66 2yu6 h SER 16 Ca -0.36 -0.25 -0.28 0.00 -0.84 0.00 0.00 61.79 60.06 2yu6 h SER 16 Cb 1.19 -0.07 -0.15 0.00 0.14 0.00 0.00 62.40 63.51 2yu6 h SER 16 CO 0.44 0.45 -0.60 0.21 -1.14 0.00 0.00 176.83 176.20 2yu6 s ASN 17 N -5.71 0.41 -0.02 3.07 2.47 -1.26 -4.51 114.94 109.39 2yu6 s ASN 17 Ca -0.14 -1.45 -0.25 0.00 0.42 0.00 0.00 52.86 51.44 2yu6 s ASN 17 Cb 0.06 0.40 -0.20 0.00 -1.45 0.00 0.00 41.25 40.07 2yu6 s ASN 17 CO 0.71 -0.87 1.24 0.25 -3.72 0.00 0.00 177.10 174.71 2yu6 h LEU 18 N 2.54 0.06 -0.76 3.21 7.12 -1.96 -3.32 115.31 122.20 2yu6 h LEU 18 Ca -0.34 -0.53 0.07 0.00 0.13 0.00 0.00 57.88 57.21 2yu6 h LEU 18 Cb 1.25 -0.02 -0.09 0.00 -0.53 0.00 0.00 40.66 41.27 2yu6 h LEU 18 CO 0.51 0.58 -0.46 -0.09 -0.13 0.00 0.00 178.44 178.84 2yu6 h ARG 19 N -0.45 -0.01 -1.42 1.25 9.65 -2.00 0.85 114.38 122.25 2yu6 h ARG 19 Ca 0.00 0.00 0.48 0.00 -1.10 0.00 0.00 59.98 59.37 2yu6 h ARG 19 Cb 0.56 0.00 -0.14 0.00 -1.39 0.00 0.00 29.97 29.01 2yu6 h ARG 19 CO 0.01 -0.01 0.92 -0.91 2.80 0.00 0.00 179.97 182.78 2yu6 h ASN 20 N -0.01 0.19 -0.26 -3.80 2.35 -2.00 1.39 115.58 113.43 2yu6 h ASN 20 Ca 0.12 0.15 -0.14 0.00 -0.55 0.00 0.00 56.30 55.87 2yu6 h ASN 20 Cb 0.32 0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.84 2yu6 h ASN 20 CO -0.72 -0.24 -0.40 0.25 -1.65 0.00 0.00 177.43 174.67 2yu6 h LEU 21 N 0.01 0.81 -0.90 1.61 5.85 0.60 -3.21 115.31 120.08 2yu6 h LEU 21 Ca 0.89 -0.52 0.23 0.00 0.84 0.00 0.00 57.88 59.32 2yu6 h LEU 21 Cb 2.89 -0.23 -0.16 0.00 0.37 0.00 0.00 40.66 43.53 2yu6 h LEU 21 CO -0.44 1.17 0.07 -0.33 -0.34 0.00 0.00 178.44 178.57 2yu6 h GLU 22 N 0.47 0.08 -1.05 1.25 4.39 0.25 0.76 114.58 120.73 2yu6 h GLU 22 Ca 0.02 -0.00 0.27 0.00 0.34 0.00 0.00 59.36 59.99 2yu6 h GLU 22 Cb 1.00 -0.02 -0.10 0.00 -0.10 0.00 0.00 28.75 29.53 2yu6 h GLU 22 CO 0.09 0.05 0.67 0.82 -1.16 0.00 0.00 179.01 179.49 2yu6 h ILE 23 N 0.08 0.50 0.00 3.13 5.03 -1.54 0.95 117.51 125.67 2yu6 h ILE 23 Ca 0.53 -0.13 -0.07 0.00 -0.12 0.00 0.00 64.86 65.07 2yu6 h ILE 23 Cb 1.06 0.08 -0.01 0.00 -3.03 0.00 0.00 36.82 34.91 2yu6 h ILE 23 CO -0.79 0.07 -0.35 -1.28 -0.68 0.00 0.00 178.15 175.13 2yu6 h SER 24 N 0.39 0.00 1.17 1.72 0.87 0.49 0.42 113.55 118.62 2yu6 h SER 24 Ca 0.61 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 61.03 2yu6 h SER 24 Cb 1.54 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.48 2yu6 h SER 24 CO -0.32 0.35 -0.86 1.56 -0.53 0.00 0.00 176.83 177.03 2yu6 h GLN 25 N 0.00 0.00 0.00 2.24 4.20 0.11 -2.58 115.11 119.08 2yu6 h GLN 25 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2yu6 h GLN 25 Cb 1.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.79 2yu6 h GLN 25 CO 0.05 0.52 -0.93 1.04 -0.67 0.00 0.00 178.83 178.83 2yu6 n GLN 26 N -3.15 0.50 0.18 1.46 1.13 0.15 -4.56 117.38 113.09 2yu6 n GLN 26 Ca -0.02 0.22 0.02 0.00 -1.94 0.00 0.00 57.00 55.28 2yu6 n GLN 26 Cb 0.80 -1.40 0.37 0.00 0.11 0.00 0.00 30.24 30.12 2yu6 n GLN 26 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 2yu6 h LYS 27 N -0.95 0.03 -0.27 -1.09 1.79 -0.37 -3.47 116.57 112.24 2yu6 h LYS 27 Ca 0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2yu6 h LYS 27 Cb 0.93 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.58 2yu6 h LYS 27 CO 0.00 0.37 0.00 0.41 -1.08 0.00 0.00 179.45 179.15 2yu6 n GLY 28 N -0.54 0.53 3.31 3.86 0.00 -0.97 -5.01 105.19 106.38 2yu6 n GLY 28 Ca -0.02 -0.83 -0.16 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.27 0.00 -0.27 -0.61 -5.25 -1.24 -2.37 121.20 109.19 2yu6 s ILE 29 Ca 0.00 -1.91 -0.22 0.00 -0.99 0.00 0.00 60.65 57.53 2yu6 s ILE 29 Cb 0.00 -2.51 0.08 0.00 2.95 0.00 0.00 42.46 42.98 2yu6 s ILE 29 CO 0.00 0.00 0.74 0.86 -1.79 0.00 0.00 174.94 174.75 2yu6 s TRP 30 N -3.58 -0.85 -0.28 1.37 -0.11 0.12 -3.56 118.94 112.05 2yu6 s TRP 30 Ca 0.38 1.92 0.01 0.00 1.22 0.00 0.00 56.10 59.63 2yu6 s TRP 30 Cb 0.03 0.39 0.06 0.00 -1.50 0.00 0.00 33.47 32.45 2yu6 s TRP 30 CO 0.22 -0.41 -0.05 0.45 -4.62 0.00 0.00 176.95 172.53 2yu6 s SER 31 N 0.79 4.67 0.43 5.86 0.15 -1.26 -1.94 113.70 122.40 2yu6 s SER 31 Ca -0.03 -1.35 0.08 0.00 0.70 0.00 0.00 55.95 55.35 2yu6 s SER 31 Cb -0.05 -1.63 -0.00 0.00 -1.71 0.00 0.00 66.02 62.63 2yu6 s SER 31 CO -0.06 -0.23 0.46 0.28 1.20 0.00 0.00 173.24 174.89 2yu6 s THR 32 N 1.17 2.66 0.41 6.45 -1.32 -1.26 -5.01 115.64 118.75 2yu6 s THR 32 Ca -0.07 -1.24 -0.26 0.00 -1.21 0.00 0.00 61.69 58.91 2yu6 s THR 32 Cb -0.20 -2.90 -0.10 0.00 -1.51 0.00 0.00 72.50 67.79 2yu6 s THR 32 CO -0.03 0.00 1.38 1.07 -2.21 0.00 0.00 174.62 174.83 2yu6 n THR 33 N -1.69 2.40 0.98 5.08 5.66 -1.26 -4.61 114.28 120.85 2yu6 n THR 33 Ca 0.05 -0.50 0.04 0.00 -3.05 0.00 0.00 64.05 60.59 2yu6 n THR 33 Cb 0.61 -1.76 0.24 0.00 -1.55 0.00 0.00 70.33 67.88 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 0.15 0.49 0.00 1.09 -0.04 -1.26 -1.97 135.00 133.46 2yu6 n PRO 34 Ca 0.04 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.61 2yu6 n PRO 34 Cb 0.39 -1.26 -0.05 0.00 -0.04 0.00 0.00 33.50 32.54 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 -0.76 1.05 -0.48 3.54 2.88 -1.26 -4.26 113.62 114.33 2yu6 n SER 35 Ca 0.06 -0.96 0.05 0.00 -1.33 0.00 0.00 58.87 56.69 2yu6 n SER 35 Cb 0.03 0.83 0.07 0.00 -0.75 0.00 0.00 64.21 64.40 2yu6 n SER 35 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2yu6 n ASN 36 N -1.32 1.13 -0.10 -3.46 3.02 -0.83 -4.83 115.26 108.88 2yu6 n ASN 36 Ca 0.05 -2.58 -0.17 0.00 -0.03 0.00 0.00 54.58 51.85 2yu6 n ASN 36 Cb 0.35 -0.33 -0.08 0.00 -0.61 0.00 0.00 39.78 39.11 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 -0.56 0.53 -0.37 3.52 1.02 -1.20 -3.98 120.64 119.60 2yu6 n GLU 37 Ca 0.08 0.52 0.31 0.00 -0.02 0.00 0.00 57.16 58.06 2yu6 n GLU 37 Cb 0.73 -1.70 0.53 0.00 -0.02 0.00 0.00 31.44 30.98 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 -4.48 -0.03 0.06 3.49 -4.01 -1.26 0.13 116.66 110.56 2yu6 n ARG 38 Ca -0.26 0.97 -0.12 0.00 -1.04 0.00 0.00 57.85 57.41 2yu6 n ARG 38 Cb 0.56 -1.92 -0.08 0.00 -3.04 0.00 0.00 32.46 27.98 2yu6 n ARG 38 CO 0.00 0.00 0.00 1.57 -3.04 0.00 0.00 177.63 176.16 2yu6 h LYS 39 N 0.00 -0.21 -0.90 2.89 2.10 -1.93 -0.30 116.57 118.22 2yu6 h LYS 39 Ca 0.68 0.01 0.07 0.00 -2.00 0.00 0.00 60.65 59.42 2yu6 h LYS 39 Cb 2.21 0.05 -0.07 0.00 -0.90 0.00 0.00 32.23 33.52 2yu6 h LYS 39 CO -0.36 0.23 0.56 -0.07 -2.00 0.00 0.00 179.45 177.80 2yu6 h LEU 40 N -0.79 0.87 0.52 7.07 3.38 0.87 0.47 115.31 127.70 2yu6 h LEU 40 Ca -0.02 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2yu6 h LEU 40 Cb 0.53 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 41.12 2yu6 h LEU 40 CO 0.04 0.55 -0.25 0.78 0.09 0.00 0.00 178.44 179.64 2yu6 h ASN 41 N 1.00 -0.59 0.38 -0.43 4.21 -0.93 -2.01 115.58 117.22 2yu6 h ASN 41 Ca 0.40 0.02 -0.00 0.00 1.21 0.00 0.00 56.30 57.93 2yu6 h ASN 41 Cb 0.21 0.15 -0.03 0.00 -1.12 0.00 0.00 38.32 37.54 2yu6 h ASN 41 CO -0.19 -0.20 -0.42 -0.09 -1.29 0.00 0.00 177.43 175.23 2yu6 h ARG 42 N -1.14 -0.81 -0.56 0.81 9.65 -0.94 -2.73 114.38 118.66 2yu6 h ARG 42 Ca -0.07 0.05 0.11 0.00 -1.10 0.00 0.00 59.98 58.98 2yu6 h ARG 42 Cb 0.53 0.18 -0.11 0.00 -1.39 0.00 0.00 29.97 29.19 2yu6 h ARG 42 CO 0.12 -0.54 -0.17 0.00 2.80 0.00 0.00 179.97 182.18 2yu6 h ALA 43 N -0.50 0.31 -0.98 2.80 0.00 -0.19 0.47 119.26 121.18 2yu6 h ALA 43 Ca -0.03 0.21 0.29 0.00 0.00 0.00 0.00 54.91 55.38 2yu6 h ALA 43 Cb 0.75 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 2yu6 h ALA 43 CO -0.09 -0.47 0.90 0.35 0.00 0.00 0.00 179.25 179.95 2yu6 h PHE 44 N -0.03 0.00 0.00 0.00 3.57 -1.04 0.98 116.94 120.41 2yu6 h PHE 44 Ca 0.27 0.00 -0.28 0.00 3.53 0.00 0.00 57.97 61.49 2yu6 h PHE 44 Cb 0.45 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.14 2yu6 h PHE 44 CO -0.49 0.00 -1.78 0.91 -2.23 0.00 0.00 178.31 174.72 2yu6 n TRP 45 N -3.71 0.27 0.16 0.41 8.01 0.13 -4.29 117.44 118.42 2yu6 n TRP 45 Ca 0.21 0.12 0.06 0.00 -1.31 0.00 0.00 57.50 56.58 2yu6 n TRP 45 Cb 1.23 -0.88 0.32 0.00 -2.01 0.00 0.00 31.31 29.96 2yu6 n TRP 45 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 2yu6 n GLU 46 N -4.36 0.08 -4.55 -0.99 1.02 0.73 -4.67 120.64 107.90 2yu6 n GLU 46 Ca -0.37 0.52 -0.26 0.00 -0.02 0.00 0.00 57.16 57.04 2yu6 n GLU 46 Cb 0.71 -1.72 -0.10 0.00 -0.02 0.00 0.00 31.44 30.31 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 -3.55 3.05 -0.08 1.62 0.01 0.33 -4.71 113.70 110.38 2yu6 s SER 47 Ca 0.00 -1.48 -0.25 0.00 1.31 0.00 0.00 55.95 55.53 2yu6 s SER 47 Cb 0.04 0.07 -0.26 0.00 0.21 0.00 0.00 66.02 66.08 2yu6 s SER 47 CO 0.15 -0.68 0.91 0.28 0.41 0.00 0.00 173.24 174.31 2yu6 h SER 48 N 1.86 0.22 -5.42 2.44 0.02 -1.79 -3.44 113.55 107.44 2yu6 h SER 48 Ca -0.41 -0.89 -0.30 0.00 -0.84 0.00 0.00 61.79 59.35 2yu6 h SER 48 Cb 1.26 -0.07 -0.15 0.00 0.14 0.00 0.00 62.40 63.59 2yu6 h SER 48 CO 0.70 1.09 -0.60 -0.63 -1.14 0.00 0.00 176.83 176.25 2yu6 s ILE 49 N -2.66 0.10 -0.31 3.27 1.01 -1.26 -4.97 121.20 116.37 2yu6 s ILE 49 Ca -0.16 -2.00 -0.01 0.00 0.00 0.00 0.00 60.65 58.47 2yu6 s ILE 49 Cb -0.00 -2.52 0.10 0.00 0.01 0.00 0.00 42.46 40.05 2yu6 s ILE 49 CO 0.75 0.00 0.11 -0.69 0.00 0.00 0.00 174.94 175.11 2yu6 s VAL 50 N -3.97 0.65 -0.21 2.92 1.01 -1.26 -1.89 120.40 117.65 2yu6 s VAL 50 Ca 0.39 -1.28 -0.27 0.00 0.00 0.00 0.00 61.98 60.81 2yu6 s VAL 50 Cb 0.06 -1.50 -0.00 0.00 0.00 0.00 0.00 36.38 34.94 2yu6 s VAL 50 CO 0.15 -0.70 0.94 -0.31 0.00 0.00 0.00 175.10 175.18 2yu6 s TYR 51 N 1.69 3.36 -0.32 5.22 2.02 0.22 -0.41 117.35 129.14 2yu6 s TYR 51 Ca 0.10 1.35 0.03 0.00 -0.37 0.00 0.00 57.07 58.19 2yu6 s TYR 51 Cb -0.17 -3.15 0.09 0.00 -0.40 0.00 0.00 41.96 38.32 2yu6 s TYR 51 CO -0.27 -0.39 0.01 -0.51 -1.57 0.00 0.00 175.55 172.82 2yu6 s LEU 52 N 2.79 4.41 -0.49 -1.29 1.43 0.98 -1.12 118.68 125.39 2yu6 s LEU 52 Ca 0.41 -1.93 -0.28 0.00 -1.03 0.00 0.00 54.13 51.30 2yu6 s LEU 52 Cb -0.16 -1.62 0.03 0.00 0.03 0.00 0.00 46.19 44.48 2yu6 s LEU 52 CO 0.09 -0.33 1.11 -0.69 0.23 0.00 0.00 176.35 176.75 2yu6 s VAL 53 N 0.97 4.23 0.07 -1.59 1.01 -0.71 -1.51 120.40 122.86 2yu6 s VAL 53 Ca 0.05 1.09 -0.19 0.00 0.00 0.00 0.00 61.98 62.93 2yu6 s VAL 53 Cb -0.19 -4.59 -0.07 0.00 0.00 0.00 0.00 36.38 31.53 2yu6 s VAL 53 CO -0.07 -1.02 0.56 -0.36 0.00 0.00 0.00 175.10 174.20 2yu6 s PHE 54 N 4.39 3.79 -0.22 5.22 0.40 0.13 -1.99 117.98 129.70 2yu6 s PHE 54 Ca 0.45 1.24 -0.07 0.00 -0.60 0.00 0.00 56.93 57.96 2yu6 s PHE 54 Cb -0.08 -2.48 0.10 0.00 0.51 0.00 0.00 43.02 41.08 2yu6 s PHE 54 CO 0.30 0.59 0.47 -1.54 0.70 0.00 0.00 175.22 175.74 2yu6 s SER 55 N -1.14 -0.44 0.35 1.36 1.04 -1.06 -2.21 113.70 111.61 2yu6 s SER 55 Ca 0.29 1.07 -0.28 0.00 0.48 0.00 0.00 55.95 57.51 2yu6 s SER 55 Cb -0.19 1.55 -0.10 0.00 0.10 0.00 0.00 66.02 67.38 2yu6 s SER 55 CO 0.19 -0.23 1.27 -0.69 0.98 0.00 0.00 173.24 174.76 2yu6 s VAL 56 N 2.67 2.81 0.21 5.02 1.01 -1.26 -3.10 120.40 127.77 2yu6 s VAL 56 Ca -0.01 0.79 -0.08 0.00 0.00 0.00 0.00 61.98 62.68 2yu6 s VAL 56 Cb -0.12 -3.49 0.17 0.00 0.00 0.00 0.00 36.38 32.93 2yu6 s VAL 56 CO -0.14 0.17 1.81 1.56 0.00 0.00 0.00 175.10 178.50 2yu6 h GLN 57 N 3.23 1.16 -2.48 2.72 4.20 -1.60 -3.12 115.11 119.22 2yu6 h GLN 57 Ca -0.49 -0.16 -0.66 0.00 0.06 0.00 0.00 58.65 57.40 2yu6 h GLN 57 Cb 1.23 -0.21 -0.12 0.00 0.30 0.00 0.00 27.48 28.67 2yu6 h GLN 57 CO 0.65 0.89 1.97 0.41 -0.67 0.00 0.00 178.83 182.07 2yu6 n GLY 58 N -1.02 4.87 3.64 3.46 0.00 -1.26 -4.82 105.19 110.07 2yu6 n GLY 58 Ca 0.08 -1.95 -0.03 0.00 0.00 0.00 0.00 46.02 44.12 2yu6 n GLY 58 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yu6 s SER 59 N 0.56 -0.35 -0.19 1.61 0.15 -1.18 -5.03 113.70 109.27 2yu6 s SER 59 Ca 0.57 0.60 0.03 0.00 0.70 0.00 0.00 55.95 57.85 2yu6 s SER 59 Cb 0.23 0.95 0.32 0.00 -1.71 0.00 0.00 66.02 65.81 2yu6 s SER 59 CO -0.12 -0.10 1.36 0.61 1.20 0.00 0.00 173.24 176.19 2yu6 n GLY 60 N 2.97 2.96 3.31 9.45 0.00 -1.26 -4.78 105.19 117.84 2yu6 n GLY 60 Ca -0.16 -0.48 -0.17 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.56 1.52 -0.44 1.61 3.76 -1.26 -1.87 115.29 117.05 2yu6 s HIS 61 Ca 0.26 -1.24 -0.15 0.00 -0.15 0.00 0.00 55.06 53.78 2yu6 s HIS 61 Cb 0.21 -0.86 0.05 0.00 1.11 0.00 0.00 32.58 33.09 2yu6 s HIS 61 CO 0.05 -0.40 0.35 -0.06 -0.85 0.00 0.00 174.74 173.83 2yu6 s PHE 62 N -3.76 3.24 0.47 1.40 0.08 0.94 -4.52 117.98 115.84 2yu6 s PHE 62 Ca 0.37 -0.77 0.18 0.00 0.12 0.00 0.00 56.93 56.84 2yu6 s PHE 62 Cb 0.07 -2.88 0.99 0.00 -0.57 0.00 0.00 43.02 40.62 2yu6 s PHE 62 CO 0.14 -0.70 1.51 1.96 -0.10 0.00 0.00 175.22 178.04 2yu6 h GLN 63 N 8.69 0.00 0.00 0.44 1.08 -1.71 -3.16 115.11 120.44 2yu6 h GLN 63 Ca -0.28 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.92 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 0.80 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 179.09 2yu6 n GLY 64 N -1.29 2.44 3.58 3.46 0.00 -1.05 -4.58 105.19 107.75 2yu6 n GLY 64 Ca -0.01 -2.13 -0.26 0.00 0.00 0.00 0.00 46.02 43.61 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 -1.90 2.45 -0.10 1.61 -0.71 -1.26 0.21 117.98 118.29 2yu6 s PHE 65 Ca 0.00 -0.54 -0.18 0.00 -1.04 0.00 0.00 56.93 55.18 2yu6 s PHE 65 Cb 0.00 -1.51 0.04 0.00 -1.21 0.00 0.00 43.02 40.34 2yu6 s PHE 65 CO 0.00 0.53 0.43 -1.54 -1.34 0.00 0.00 175.22 173.30 2yu6 s SER 66 N -3.65 -0.40 -0.36 1.98 1.04 -0.57 -3.48 113.70 108.26 2yu6 s SER 66 Ca 0.34 0.58 -0.15 0.00 0.48 0.00 0.00 55.95 57.20 2yu6 s SER 66 Cb 0.04 0.65 -0.01 0.00 0.10 0.00 0.00 66.02 66.80 2yu6 s SER 66 CO 0.17 -0.33 0.34 0.00 0.98 0.00 0.00 173.24 174.41 2yu6 s ARG 67 N -0.54 3.45 -0.15 4.02 1.70 -0.44 -0.01 118.95 126.97 2yu6 s ARG 67 Ca -0.07 -0.55 -0.40 0.00 -0.47 0.00 0.00 55.73 54.24 2yu6 s ARG 67 Cb -0.03 -3.84 -0.17 0.00 -0.57 0.00 0.00 34.95 30.33 2yu6 s ARG 67 CO 0.03 -0.57 1.48 -0.12 -1.08 0.00 0.00 175.30 175.04 2yu6 n MET 68 N 5.34 0.77 -0.06 3.89 0.00 0.46 -2.18 117.12 125.33 2yu6 n MET 68 Ca -0.10 0.28 -0.03 0.00 -0.00 0.00 0.00 57.70 57.85 2yu6 n MET 68 Cb 0.49 -1.89 -0.14 0.00 0.00 0.00 0.00 33.22 31.68 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 3.57 0.62 -4.14 6.12 2.88 -1.22 -4.49 113.62 116.96 2yu6 n SER 69 Ca 0.23 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.68 2yu6 n SER 69 Cb 0.11 1.22 -0.10 0.00 -0.75 0.00 0.00 64.21 64.69 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 -4.89 0.97 0.95 -3.46 0.15 -1.25 -5.00 113.70 101.16 2yu6 s SER 70 Ca -0.08 -0.96 -0.16 0.00 0.70 0.00 0.00 55.95 55.45 2yu6 s SER 70 Cb 0.07 0.11 0.19 0.00 -1.71 0.00 0.00 66.02 64.68 2yu6 s SER 70 CO 0.75 -0.47 1.28 -1.83 1.20 0.00 0.00 173.24 174.17 2yu6 s GLU 71 N -3.65 0.74 -0.16 5.44 -1.05 -1.26 -4.16 118.70 114.59 2yu6 s GLU 71 Ca 0.09 -0.29 -0.15 0.00 -0.15 0.00 0.00 54.97 54.47 2yu6 s GLU 71 Cb 0.04 -1.85 -0.04 0.00 -0.44 0.00 0.00 34.13 31.84 2yu6 s GLU 71 CO -0.05 -2.37 0.34 0.42 0.95 0.00 0.00 175.26 174.55 2yu6 s ILE 72 N -3.77 5.27 0.00 1.83 1.01 -1.26 -4.46 121.20 119.81 2yu6 s ILE 72 Ca 0.72 0.63 0.00 0.00 0.00 0.00 0.00 60.65 62.00 2yu6 s ILE 72 Cb -0.06 -3.68 0.00 0.00 0.01 0.00 0.00 42.46 38.74 2yu6 s ILE 72 CO 0.53 0.35 0.00 0.61 0.00 0.00 0.00 174.94 176.43 2yu6 n GLY 73 N 3.51 0.83 0.35 6.18 0.00 -1.07 -4.90 105.19 110.08 2yu6 n GLY 73 Ca -0.10 -0.28 0.29 0.00 0.00 0.00 0.00 46.02 45.92 2yu6 n GLY 73 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2yu6 n ARG 74 N 0.00 -0.02 -2.85 1.61 0.00 -1.26 -4.10 116.66 110.04 2yu6 n ARG 74 Ca 0.00 0.84 -0.40 0.00 -0.00 0.00 0.00 57.85 58.28 2yu6 n ARG 74 Cb 0.00 -1.68 -0.05 0.00 -0.00 0.00 0.00 32.46 30.73 2yu6 n ARG 74 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 2yu6 s GLU 75 N -4.65 4.61 -0.17 2.89 2.56 -1.26 -5.05 118.70 117.63 2yu6 s GLU 75 Ca -0.05 1.27 -0.08 0.00 0.00 0.00 0.00 54.97 56.12 2yu6 s GLU 75 Cb 0.21 -3.36 0.07 0.00 2.00 0.00 0.00 34.13 33.05 2yu6 s GLU 75 CO 0.56 0.29 0.38 0.15 -0.56 0.00 0.00 175.26 176.09 2yu6 s LYS 76 N -0.19 0.33 0.40 4.30 -0.14 -1.26 -3.47 119.74 119.72 2yu6 s LYS 76 Ca 0.42 0.85 0.05 0.00 -1.36 0.00 0.00 55.97 55.93 2yu6 s LYS 76 Cb -0.22 0.08 0.05 0.00 -1.68 0.00 0.00 37.83 36.06 2yu6 s LYS 76 CO 0.27 -0.20 0.44 0.45 -0.76 0.00 0.00 175.35 175.55 2yu6 n SER 77 N 4.74 1.86 0.04 2.83 2.88 -1.26 -5.08 113.62 119.63 2yu6 n SER 77 Ca -0.17 -2.22 0.00 0.00 -1.33 0.00 0.00 58.87 55.15 2yu6 n SER 77 Cb 0.53 -0.17 0.00 0.00 -0.75 0.00 0.00 64.21 63.81 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 -1.68 0.00 -1.78 -1.46 7.27 -1.26 -5.02 117.38 113.45 2yu6 n GLN 78 Ca 0.06 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.70 2yu6 n GLN 78 Cb 0.44 -0.46 -0.03 0.00 2.41 0.00 0.00 30.24 32.60 2yu6 n GLN 78 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2yu6 s ASP 79 N -5.66 6.50 0.04 1.69 -1.08 -1.26 -4.95 116.67 111.95 2yu6 s ASP 79 Ca 0.00 2.60 -0.28 0.00 -0.52 0.00 0.00 52.55 54.35 2yu6 s ASP 79 Cb 0.00 -2.55 0.09 0.00 -1.46 0.00 0.00 42.92 39.00 2yu6 s ASP 79 CO 0.00 -0.99 0.94 0.26 0.52 0.00 0.00 175.17 175.90 2yu6 s TRP 80 N 3.56 -0.25 -0.03 -5.34 0.23 -1.26 -5.03 118.94 110.81 2yu6 s TRP 80 Ca 0.81 0.06 -0.19 0.00 -2.03 0.00 0.00 56.10 54.75 2yu6 s TRP 80 Cb -0.42 0.57 -0.32 0.00 0.03 0.00 0.00 33.47 33.34 2yu6 s TRP 80 CO 0.36 -0.62 0.87 0.78 0.96 0.00 0.00 176.95 179.31 2yu6 h GLY 81 N 2.00 0.41 -6.05 0.98 0.00 -1.95 -3.45 103.07 95.01 2yu6 h GLY 81 Ca -0.23 -1.06 -0.53 0.00 0.00 0.00 0.00 47.33 45.52 2yu6 h GLY 81 CO 0.29 0.93 -0.82 -0.45 0.00 0.00 0.00 176.54 176.49 2yu6 s SER 82 N -7.16 1.99 0.26 0.19 0.15 -1.26 -5.02 113.70 102.85 2yu6 s SER 82 Ca -0.13 -0.32 0.05 0.00 0.70 0.00 0.00 55.95 56.24 2yu6 s SER 82 Cb 0.02 -0.88 0.33 0.00 -1.71 0.00 0.00 66.02 63.79 2yu6 s SER 82 CO 0.85 -0.00 1.62 0.00 1.20 0.00 0.00 173.24 176.91 2yu6 h ALA 83 N 7.31 0.96 -1.30 5.45 0.00 -1.98 -3.20 119.26 126.50 2yu6 h ALA 83 Ca -0.31 -0.48 0.40 0.00 0.00 0.00 0.00 54.91 54.52 2yu6 h ALA 83 Cb 1.17 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.80 2yu6 h ALA 83 CO 0.46 0.66 0.91 0.41 0.00 0.00 0.00 179.25 181.70 2yu6 n GLY 84 N 0.05 -0.69 3.04 0.00 0.00 -1.26 -4.53 105.19 101.80 2yu6 n GLY 84 Ca -0.02 0.53 -0.36 0.00 0.00 0.00 0.00 46.02 46.17 2yu6 n GLY 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2yu6 n LEU 85 N -3.67 -5.29 -2.89 0.99 4.77 -1.21 -4.97 117.00 104.72 2yu6 n LEU 85 Ca 0.32 0.18 -0.12 0.00 -0.03 0.00 0.00 56.01 56.36 2yu6 n LEU 85 Cb 1.37 -0.79 0.04 0.00 -2.33 0.00 0.00 43.42 41.71 2yu6 n LEU 85 CO 0.26 -5.61 0.13 0.61 -1.33 0.00 0.00 177.39 171.45 2yu6 n GLY 86 N 3.29 1.47 0.00 -0.72 0.00 -1.26 -5.10 105.19 102.88 2yu6 n GLY 86 Ca -0.01 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 0.58 3.46 3.35 -0.02 0.00 -1.26 -4.81 105.19 106.48 2yu6 n GLY 87 Ca 0.12 -0.33 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 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 2.01 0.12 1.61 1.01 -1.23 -3.99 120.40 119.93 2yu6 s VAL 88 Ca 0.00 -1.73 -0.09 0.00 0.00 0.00 0.00 61.98 60.16 2yu6 s VAL 88 Cb 0.00 -1.83 -0.00 0.00 0.00 0.00 0.00 36.38 34.55 2yu6 s VAL 88 CO 0.00 -0.04 0.22 0.72 0.00 0.00 0.00 175.10 176.00 2yu6 s PHE 89 N -1.29 0.26 0.56 5.22 -0.71 -0.82 -2.60 117.98 118.59 2yu6 s PHE 89 Ca 0.12 -0.66 -0.07 0.00 -1.04 0.00 0.00 56.93 55.28 2yu6 s PHE 89 Cb -0.09 -0.06 -0.03 0.00 -1.21 0.00 0.00 43.02 41.63 2yu6 s PHE 89 CO 0.06 -0.61 0.90 0.15 -1.34 0.00 0.00 175.22 174.37 2yu6 s LYS 90 N -3.90 3.41 -0.11 1.99 1.02 -1.26 0.11 119.74 120.99 2yu6 s LYS 90 Ca 0.10 0.34 -0.10 0.00 0.02 0.00 0.00 55.97 56.33 2yu6 s LYS 90 Cb 0.04 -2.25 0.03 0.00 -0.52 0.00 0.00 37.83 35.13 2yu6 s LYS 90 CO -0.07 -0.45 0.29 0.14 -0.92 0.00 0.00 175.35 174.34 2yu6 s VAL 91 N -2.95 -0.00 -0.37 3.17 -7.23 -1.00 -3.42 120.40 108.60 2yu6 s VAL 91 Ca 0.51 0.00 -0.14 0.00 -1.81 0.00 0.00 61.98 60.55 2yu6 s VAL 91 Cb -0.11 -0.41 0.00 0.00 0.56 0.00 0.00 36.38 36.43 2yu6 s VAL 91 CO 0.48 0.00 0.26 -0.70 -0.31 0.00 0.00 175.10 174.83 2yu6 s GLU 92 N 0.16 3.24 -0.13 4.82 -6.30 -0.92 -4.74 118.70 114.83 2yu6 s GLU 92 Ca -0.00 -0.83 -0.28 0.00 -2.50 0.00 0.00 54.97 51.36 2yu6 s GLU 92 Cb -0.02 -3.88 -0.01 0.00 0.00 0.00 0.00 34.13 30.22 2yu6 s GLU 92 CO 0.00 -0.59 0.94 -1.58 0.02 0.00 0.00 175.26 174.06 2yu6 s TRP 93 N 1.70 3.48 -0.26 5.30 0.52 -1.26 -1.33 118.94 127.08 2yu6 s TRP 93 Ca 0.05 1.47 -0.14 0.00 0.02 0.00 0.00 56.10 57.50 2yu6 s TRP 93 Cb -0.18 -3.12 -0.14 0.00 -1.15 0.00 0.00 33.47 28.88 2yu6 s TRP 93 CO 0.10 -0.23 -0.21 -0.89 0.02 0.00 0.00 176.95 175.74 2yu6 n ILE 94 N 4.60 1.53 -4.07 2.03 -0.00 -1.23 -4.96 119.36 117.26 2yu6 n ILE 94 Ca 0.07 -0.33 -0.22 0.00 -0.00 0.00 0.00 62.75 62.27 2yu6 n ILE 94 Cb 0.49 -1.88 -0.17 0.00 -0.00 0.00 0.00 39.64 38.08 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 -2.48 0.92 -0.24 0.38 1.81 -1.26 -5.01 118.95 113.08 2yu6 s ARG 95 Ca -0.36 -0.09 0.14 0.00 -1.72 0.00 0.00 55.73 53.70 2yu6 s ARG 95 Cb 0.13 -1.00 0.82 0.00 -0.45 0.00 0.00 34.95 34.44 2yu6 s ARG 95 CO 0.52 -0.15 1.75 1.63 -0.68 0.00 0.00 175.30 178.37 2yu6 n LYS 96 N 4.40 4.86 -3.08 3.54 5.02 -1.26 -4.18 118.16 127.46 2yu6 n LYS 96 Ca -0.19 -3.16 -0.34 0.00 -2.02 0.00 0.00 58.31 52.60 2yu6 n LYS 96 Cb 0.51 -2.26 -0.06 0.00 -0.02 0.00 0.00 35.03 33.19 2yu6 n LYS 96 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2yu6 s GLU 97 N -2.76 4.14 -0.67 1.97 2.56 -1.26 -4.95 118.70 117.73 2yu6 s GLU 97 Ca 0.55 0.81 -0.18 0.00 0.00 0.00 0.00 54.97 56.14 2yu6 s GLU 97 Cb 0.42 -2.59 0.12 0.00 2.00 0.00 0.00 34.13 34.08 2yu6 s GLU 97 CO 0.16 0.23 0.78 -1.12 -0.56 0.00 0.00 175.26 174.75 2yu6 s SER 98 N -2.01 6.31 -0.15 -1.70 0.01 -1.26 -4.25 113.70 110.65 2yu6 s SER 98 Ca 0.51 -1.65 -0.27 0.00 1.31 0.00 0.00 55.95 55.84 2yu6 s SER 98 Cb -0.13 -2.31 -0.01 0.00 0.21 0.00 0.00 66.02 63.78 2yu6 s SER 98 CO 0.19 -1.06 0.93 -0.22 0.41 0.00 0.00 173.24 173.49 2yu6 s LEU 99 N 2.43 4.19 0.25 2.44 2.96 -1.19 -4.75 118.68 125.02 2yu6 s LEU 99 Ca 0.15 1.35 -0.30 0.00 -0.22 0.00 0.00 54.13 55.11 2yu6 s LEU 99 Cb -0.20 -3.40 -0.09 0.00 0.50 0.00 0.00 46.19 43.00 2yu6 s LEU 99 CO 0.02 -0.45 1.27 -2.16 -1.32 0.00 0.00 176.35 173.71 2yu6 s PRO 100 N 2.22 4.42 0.33 0.98 0.04 -1.26 -0.04 135.00 141.69 2yu6 s PRO 100 Ca 0.43 2.05 0.11 0.00 0.04 0.00 0.00 61.00 63.63 2yu6 s PRO 100 Cb -0.17 -3.16 0.93 0.00 0.04 0.00 0.00 34.50 32.14 2yu6 s PRO 100 CO 0.14 -0.15 1.72 0.74 0.04 0.00 0.00 177.00 179.49 2yu6 h PHE 101 N 4.56 0.98 -1.34 0.56 0.04 -1.73 0.17 116.94 120.18 2yu6 h PHE 101 Ca -0.46 0.04 0.42 0.00 2.80 0.00 0.00 57.97 60.76 2yu6 h PHE 101 Cb 1.22 -0.28 -0.11 0.00 2.20 0.00 0.00 35.95 38.98 2yu6 h PHE 101 CO 0.60 0.03 0.89 0.37 -0.60 0.00 0.00 178.31 179.59 2yu6 h GLN 102 N 0.53 0.11 -0.28 1.51 4.15 -1.91 1.01 115.11 120.23 2yu6 h GLN 102 Ca 0.66 -0.01 -0.15 0.00 0.77 0.00 0.00 58.65 59.92 2yu6 h GLN 102 Cb 1.31 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.97 2yu6 h GLN 102 CO -0.48 0.07 -0.39 0.74 -1.93 0.00 0.00 178.83 176.84 2yu6 h PHE 103 N 0.11 0.94 -0.51 3.99 -1.00 -1.04 -3.05 116.94 116.39 2yu6 h PHE 103 Ca 0.78 -0.31 -0.03 0.00 2.81 0.00 0.00 57.97 61.22 2yu6 h PHE 103 Cb 2.53 -0.19 -0.02 0.00 3.61 0.00 0.00 35.95 41.89 2yu6 h PHE 103 CO -0.00 1.10 0.04 0.00 -1.61 0.00 0.00 178.31 177.83 2yu6 n ALA 104 N -2.53 3.79 0.17 2.45 0.00 0.31 -4.27 120.51 120.42 2yu6 n ALA 104 Ca -0.04 -1.68 0.04 0.00 0.00 0.00 0.00 53.44 51.76 2yu6 n ALA 104 Cb 0.54 -1.13 0.25 0.00 0.00 0.00 0.00 19.45 19.11 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 3.19 0.00 0.00 0.00 6.17 -0.18 -3.10 115.15 121.23 2yu6 h HIS 105 Ca 0.04 0.00 -0.22 0.00 0.71 0.00 0.00 60.37 60.90 2yu6 h HIS 105 Cb 1.82 0.00 -0.03 0.00 2.52 0.00 0.00 27.41 31.71 2yu6 h HIS 105 CO 0.96 0.44 -1.15 1.12 0.71 0.00 0.00 177.93 180.01 2yu6 h HIS 106 N 0.00 0.00 -3.92 5.26 2.07 -1.79 -3.46 115.15 113.30 2yu6 h HIS 106 Ca -0.00 0.00 -0.48 0.00 -2.85 0.00 0.00 60.37 57.03 2yu6 h HIS 106 Cb 1.03 0.00 0.01 0.00 2.57 0.00 0.00 27.41 31.02 2yu6 h HIS 106 CO 0.00 0.91 0.41 -0.51 -3.07 0.00 0.00 177.93 175.67 2yu6 s LEU 107 N -6.45 4.24 0.00 6.12 1.43 -1.17 -5.05 118.68 117.79 2yu6 s LEU 107 Ca -0.00 2.04 0.04 0.00 -1.03 0.00 0.00 54.13 55.17 2yu6 s LEU 107 Cb 0.09 -4.06 -0.01 0.00 0.03 0.00 0.00 46.19 42.23 2yu6 s LEU 107 CO 0.81 -0.36 0.25 0.18 0.23 0.00 0.00 176.35 177.46 2yu6 n LEU 108 N 0.24 0.00 -3.82 1.79 4.77 -1.26 -3.43 117.00 115.30 2yu6 n LEU 108 Ca 0.03 -2.27 -0.30 0.00 -0.03 0.00 0.00 56.01 53.45 2yu6 n LEU 108 Cb 0.49 1.41 -0.15 0.00 -2.33 0.00 0.00 43.42 42.83 2yu6 n LEU 108 CO 0.46 -0.41 -0.35 0.21 -1.33 0.00 0.00 177.39 175.97 2yu6 s ASN 109 N -2.68 4.01 0.00 -1.43 2.47 0.13 -4.56 114.94 112.88 2yu6 s ASN 109 Ca 0.27 -1.56 0.15 0.00 0.42 0.00 0.00 52.86 52.14 2yu6 s ASN 109 Cb 0.01 -1.03 0.87 0.00 -1.45 0.00 0.00 41.25 39.65 2yu6 s ASN 109 CO 0.19 -0.37 1.36 -0.81 -3.72 0.00 0.00 177.10 173.76 2yu6 n PRO 110 N 4.73 0.40 0.10 0.43 -0.04 -1.26 -2.18 135.00 137.18 2yu6 n PRO 110 Ca -0.03 0.05 0.08 0.00 -0.04 0.00 0.00 63.50 63.56 2yu6 n PRO 110 Cb 0.43 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 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 -2.92 0.54 4.06 -1.93 -3.39 115.95 112.31 2yu6 h TRP 111 Ca 0.00 0.00 -0.61 0.00 2.06 0.00 0.00 58.89 60.34 2yu6 h TRP 111 Cb 0.04 0.00 -0.40 0.00 -1.00 0.00 0.00 29.16 27.80 2yu6 h TRP 111 CO 0.00 0.16 -0.74 1.21 -3.56 0.00 0.00 178.44 175.52 2yu6 s ASN 112 N -5.61 3.56 -1.54 -3.49 2.47 -0.92 -4.88 114.94 104.53 2yu6 s ASN 112 Ca -0.00 -2.99 -0.04 0.00 0.42 0.00 0.00 52.86 50.25 2yu6 s ASN 112 Cb 0.09 -1.09 0.04 0.00 -1.45 0.00 0.00 41.25 38.83 2yu6 s ASN 112 CO 0.78 -0.21 0.32 0.47 -3.72 0.00 0.00 177.10 174.74 2yu6 n ASP 113 N 3.06 -0.30 -2.41 -4.21 8.00 -1.26 -0.06 116.55 119.36 2yu6 n ASP 113 Ca 0.14 -1.13 -0.08 0.00 0.71 0.00 0.00 54.79 54.44 2yu6 n ASP 113 Cb 0.37 -2.34 -0.01 0.00 -0.02 0.00 0.00 41.12 39.12 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 -2.87 -0.89 -4.79 -2.24 4.13 -1.03 -4.82 115.26 102.76 2yu6 n ASN 114 Ca -0.24 0.06 -0.35 0.00 1.68 0.00 0.00 54.58 55.73 2yu6 n ASN 114 Cb 0.65 -0.85 -0.04 0.00 -1.54 0.00 0.00 39.78 37.99 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 -4.19 4.11 0.48 3.52 -0.14 0.91 -4.47 119.74 119.96 2yu6 s LYS 115 Ca 0.15 1.41 -0.23 0.00 -1.36 0.00 0.00 55.97 55.93 2yu6 s LYS 115 Cb -0.09 -2.39 -0.08 0.00 -1.68 0.00 0.00 37.83 33.59 2yu6 s LYS 115 CO 0.18 -0.17 1.20 1.17 -0.76 0.00 0.00 175.35 176.97 2yu6 n LYS 116 N -0.34 1.63 -0.28 1.68 4.81 -1.26 0.17 118.16 124.57 2yu6 n LYS 116 Ca 0.06 0.59 0.09 0.00 -0.87 0.00 0.00 58.31 58.18 2yu6 n LYS 116 Cb 0.51 -2.34 0.24 0.00 0.02 0.00 0.00 35.03 33.45 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 1.60 0.52 -0.02 3.15 2.07 -1.80 0.69 116.25 122.47 2yu6 h VAL 117 Ca -0.48 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 66.92 2yu6 h VAL 117 Cb 1.31 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 2yu6 h VAL 117 CO 0.57 0.07 0.03 0.06 0.02 0.00 0.00 177.57 178.32 2yu6 h GLN 118 N 0.36 0.00 -3.08 1.57 -0.00 -1.87 -3.18 115.11 108.91 2yu6 h GLN 118 Ca 0.48 0.00 -0.73 0.00 -0.00 0.00 0.00 58.65 58.40 2yu6 h GLN 118 Cb 0.85 0.00 -0.09 0.00 -0.00 0.00 0.00 27.48 28.23 2yu6 h GLN 118 CO -0.50 0.00 2.67 -0.89 -0.00 0.00 0.00 178.83 180.11 2yu6 n ILE 119 N -3.57 4.63 -3.98 1.86 5.41 0.24 -4.89 119.36 119.06 2yu6 n ILE 119 Ca -0.02 -3.87 -0.10 0.00 1.00 0.00 0.00 62.75 59.76 2yu6 n ILE 119 Cb 0.11 -2.32 -0.11 0.00 -0.71 0.00 0.00 39.64 36.61 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 1.14 0.29 0.36 4.38 0.01 -1.21 -4.75 113.70 113.92 2yu6 s SER 120 Ca 0.52 -0.48 0.07 0.00 1.31 0.00 0.00 55.95 57.38 2yu6 s SER 120 Cb 0.15 0.09 -0.02 0.00 0.21 0.00 0.00 66.02 66.45 2yu6 s SER 120 CO -0.06 -0.27 0.37 0.00 0.41 0.00 0.00 173.24 173.69 2yu6 s ARG 121 N -1.40 2.80 0.21 12.44 1.70 -1.26 -4.96 118.95 128.48 2yu6 s ARG 121 Ca -0.15 -1.26 -0.32 0.00 -0.47 0.00 0.00 55.73 53.53 2yu6 s ARG 121 Cb -0.09 -2.57 -0.14 0.00 -0.57 0.00 0.00 34.95 31.58 2yu6 s ARG 121 CO -0.01 0.01 1.45 -0.40 -1.08 0.00 0.00 175.30 175.27 2yu6 n ASP 122 N -1.51 2.81 -1.34 -2.89 5.68 -1.25 -2.10 116.55 115.95 2yu6 n ASP 122 Ca 0.00 1.12 -0.08 0.00 -0.50 0.00 0.00 54.79 55.34 2yu6 n ASP 122 Cb 0.60 -1.42 0.02 0.00 -1.14 0.00 0.00 41.12 39.17 2yu6 n ASP 122 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2yu6 n GLY 123 N 2.54 0.29 3.52 6.12 0.00 -0.93 -4.95 105.19 111.78 2yu6 n GLY 123 Ca 0.13 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 2yu6 n GLY 123 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2yu6 s GLN 124 N -5.08 3.73 0.05 1.61 -0.44 -0.89 -4.96 119.66 113.68 2yu6 s GLN 124 Ca 0.14 -0.48 -0.31 0.00 -2.50 0.00 0.00 55.36 52.21 2yu6 s GLN 124 Cb -0.06 -2.99 -0.08 0.00 -1.64 0.00 0.00 33.01 28.25 2yu6 s GLN 124 CO 0.17 0.23 1.61 -2.00 0.50 0.00 0.00 175.29 175.80 2yu6 s GLU 125 N 0.41 4.21 -0.17 1.67 2.12 -1.26 -2.70 118.70 122.98 2yu6 s GLU 125 Ca -0.02 2.26 -0.03 0.00 0.36 0.00 0.00 54.97 57.54 2yu6 s GLU 125 Cb -0.14 -3.61 -0.02 0.00 0.26 0.00 0.00 34.13 30.62 2yu6 s GLU 125 CO 0.02 -0.71 -0.05 -1.17 -0.54 0.00 0.00 175.26 172.81 2yu6 s LEU 126 N 2.66 3.10 0.35 2.70 2.96 -0.78 -4.89 118.68 124.78 2yu6 s LEU 126 Ca 0.72 -0.21 -0.27 0.00 -0.22 0.00 0.00 54.13 54.14 2yu6 s LEU 126 Cb -0.38 -1.75 -0.12 0.00 0.50 0.00 0.00 46.19 44.44 2yu6 s LEU 126 CO 0.31 0.13 1.21 1.21 -1.32 0.00 0.00 176.35 177.89 2yu6 n GLU 127 N 3.81 1.90 -0.10 1.98 2.13 -1.26 -4.21 120.64 124.89 2yu6 n GLU 127 Ca -0.18 0.67 -0.13 0.00 0.66 0.00 0.00 57.16 58.18 2yu6 n GLU 127 Cb 0.52 -2.22 -0.04 0.00 0.27 0.00 0.00 31.44 29.98 2yu6 n GLU 127 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 2yu6 h PRO 128 N 2.31 0.76 -1.00 5.31 0.13 -1.94 0.53 132.00 138.10 2yu6 h PRO 128 Ca -0.45 -0.40 0.16 0.00 -0.87 0.00 0.00 66.00 64.44 2yu6 h PRO 128 Cb 1.30 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 32.35 2yu6 h PRO 128 CO 0.61 1.03 0.62 0.37 -0.23 0.00 0.00 178.00 180.40 2yu6 h GLN 129 N 0.53 0.83 0.00 0.86 4.15 -1.99 0.93 115.11 120.41 2yu6 h GLN 129 Ca 0.05 -0.05 -0.30 0.00 0.77 0.00 0.00 58.65 59.12 2yu6 h GLN 129 Cb 0.88 -0.19 -0.05 0.00 0.21 0.00 0.00 27.48 28.33 2yu6 h GLN 129 CO 0.08 0.55 -1.94 1.33 -1.93 0.00 0.00 178.83 176.91 2yu6 n VAL 130 N -4.68 1.43 0.33 2.39 0.24 -1.19 -3.86 118.33 112.98 2yu6 n VAL 130 Ca 0.21 -0.80 0.15 0.00 -2.04 0.00 0.00 64.34 61.86 2yu6 n VAL 130 Cb 0.48 -0.75 0.61 0.00 -1.47 0.00 0.00 33.84 32.70 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 3.73 0.00 0.41 7.63 0.00 0.77 -2.04 103.07 113.57 2yu6 h GLY 131 Ca -0.36 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 46.68 2yu6 h GLY 131 CO 0.05 0.00 -1.51 1.05 0.00 0.00 0.00 176.54 176.13 2yu6 h GLU 132 N 0.00 0.18 0.00 4.80 4.11 -0.99 -3.33 114.58 119.35 2yu6 h GLU 132 Ca 0.00 -0.30 0.00 0.00 0.07 0.00 0.00 59.36 59.13 2yu6 h GLU 132 Cb 0.43 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2yu6 h GLU 132 CO 0.00 1.14 0.00 0.00 0.07 0.00 0.00 179.01 180.22 2yu6 n GLN 133 N -3.95 0.03 0.04 1.06 10.64 -1.18 -2.77 117.38 121.24 2yu6 n GLN 133 Ca -0.29 0.13 -0.09 0.00 -1.83 0.00 0.00 57.00 54.93 2yu6 n GLN 133 Cb 0.87 -1.50 -0.13 0.00 -0.86 0.00 0.00 30.24 28.63 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 0.05 0.06 2.61 5.85 -1.49 -3.34 115.31 119.05 2yu6 h LEU 134 Ca 0.00 -0.06 -0.14 0.00 0.84 0.00 0.00 57.88 58.52 2yu6 h LEU 134 Cb 0.35 -0.02 0.01 0.00 0.37 0.00 0.00 40.66 41.38 2yu6 h LEU 134 CO 0.00 1.05 -0.60 -0.07 -0.34 0.00 0.00 178.44 178.49 2yu6 h LEU 135 N 0.01 0.42 -1.79 2.25 3.38 -1.62 -3.21 115.31 114.75 2yu6 h LEU 135 Ca -0.11 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 57.00 2yu6 h LEU 135 Cb 1.87 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.48 2yu6 h LEU 135 CO 0.12 1.24 0.37 0.06 0.09 0.00 0.00 178.44 180.32 2yu6 h GLN 136 N -0.34 0.00 -0.91 1.13 -0.00 -1.68 0.36 115.11 113.68 2yu6 h GLN 136 Ca -0.09 0.00 0.02 0.00 -0.00 0.00 0.00 58.65 58.58 2yu6 h GLN 136 Cb 1.38 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 28.82 2yu6 h GLN 136 CO 0.11 0.00 0.60 -0.07 -0.00 0.00 0.00 178.83 179.47 2yu6 h LEU 137 N 0.00 1.02 -1.98 0.06 3.38 -1.67 -1.24 115.31 114.88 2yu6 h LEU 137 Ca 0.00 -0.02 0.13 0.00 0.09 0.00 0.00 57.88 58.07 2yu6 h LEU 137 Cb 0.74 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 2yu6 h LEU 137 CO 0.00 0.73 0.45 -0.50 0.09 0.00 0.00 178.44 179.21 2yu6 h TRP 138 N 1.20 0.00 -0.01 1.13 6.55 -1.12 0.37 115.95 124.07 2yu6 h TRP 138 Ca 0.34 0.00 -0.17 0.00 0.95 0.00 0.00 58.89 60.01 2yu6 h TRP 138 Cb -0.09 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.19 2yu6 h TRP 138 CO -0.00 0.00 -0.77 0.93 -1.05 0.00 0.00 178.44 177.55 2yu6 h GLU 139 N 0.00 0.09 0.00 0.49 4.39 -1.39 -3.03 114.58 115.13 2yu6 h GLU 139 Ca 0.21 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.80 2yu6 h GLU 139 Cb 1.10 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.77 2yu6 h GLU 139 CO -0.00 0.82 -0.08 0.00 -1.16 0.00 0.00 179.01 178.58 2yu6 h ARG 140 N 0.06 0.00 0.00 2.33 3.08 -0.30 -3.53 114.38 116.02 2yu6 h ARG 140 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2yu6 h ARG 140 Cb 1.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.40 2yu6 h ARG 140 CO 0.11 0.08 0.00 1.28 -1.07 0.00 0.00 179.97 180.37