#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yu9 n ASN 3 N 0.00 0.00 -4.83 6.43 3.02 -1.26 -4.83 115.26 113.79 2yu9 n ASN 3 Ca 0.00 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.33 2yu9 n ASN 3 Cb 0.00 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.13 2yu9 n ASN 3 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2yu9 s THR 4 N -2.68 3.47 0.00 3.41 2.01 -1.26 -3.76 115.64 116.83 2yu9 s THR 4 Ca 0.00 -1.43 0.00 0.00 0.31 0.00 0.00 61.69 60.57 2yu9 s THR 4 Cb 0.00 -3.15 0.00 0.00 0.01 0.00 0.00 72.50 69.36 2yu9 s THR 4 CO 0.00 -0.18 0.00 0.18 -0.69 0.00 0.00 174.62 173.93 2yu9 n LEU 5 N -1.32 0.00 -3.70 4.42 4.77 0.14 -4.96 117.00 116.35 2yu9 n LEU 5 Ca -0.02 -0.02 -0.14 0.00 -0.03 0.00 0.00 56.01 55.80 2yu9 n LEU 5 Cb 0.60 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.61 2yu9 n LEU 5 CO 0.43 0.00 0.13 0.12 -1.33 0.00 0.00 177.39 176.74 2yu9 s PHE 6 N -0.87 -0.35 -0.26 -1.77 5.36 -1.08 -4.90 117.98 114.11 2yu9 s PHE 6 Ca 0.00 0.65 -0.09 0.00 -0.96 0.00 0.00 56.93 56.54 2yu9 s PHE 6 Cb 0.00 0.18 0.11 0.00 -0.34 0.00 0.00 43.02 42.97 2yu9 s PHE 6 CO 0.00 -0.40 0.55 0.34 -1.46 0.00 0.00 175.22 174.25 2yu9 s ASP 7 N -0.96 -0.77 0.25 6.13 2.15 -1.26 -2.20 116.67 120.02 2yu9 s ASP 7 Ca -0.10 1.33 -0.22 0.00 0.43 0.00 0.00 52.55 53.99 2yu9 s ASP 7 Cb -0.04 1.89 0.04 0.00 -0.30 0.00 0.00 42.92 44.51 2yu9 s ASP 7 CO 0.05 -0.23 0.81 -0.62 -0.17 0.00 0.00 175.17 175.01 2yu9 s ASP 8 N 2.77 -0.21 -0.11 -0.34 3.68 -0.97 -5.04 116.67 116.45 2yu9 s ASP 8 Ca -0.04 -0.59 0.02 0.00 2.13 0.00 0.00 52.55 54.07 2yu9 s ASP 8 Cb -0.12 0.66 -0.01 0.00 -1.45 0.00 0.00 42.92 42.01 2yu9 s ASP 8 CO -0.16 -1.23 -0.20 -0.63 0.13 0.00 0.00 175.17 173.08 2yu9 s ILE 9 N -3.58 2.44 0.14 4.11 1.01 -1.26 -0.84 121.20 123.22 2yu9 s ILE 9 Ca 0.12 -0.88 0.11 0.00 0.00 0.00 0.00 60.65 59.99 2yu9 s ILE 9 Cb -0.04 -1.97 -0.04 0.00 0.01 0.00 0.00 42.46 40.41 2yu9 s ILE 9 CO 0.06 0.55 -0.24 -0.36 0.00 0.00 0.00 174.94 174.94 2yu9 s PHE 10 N 0.34 2.37 -0.38 3.97 0.40 0.84 -1.99 117.98 123.53 2yu9 s PHE 10 Ca -0.16 -0.35 -0.06 0.00 -0.60 0.00 0.00 56.93 55.76 2yu9 s PHE 10 Cb -0.17 -1.26 0.07 0.00 0.51 0.00 0.00 43.02 42.17 2yu9 s PHE 10 CO 0.08 0.38 0.17 -1.14 0.70 0.00 0.00 175.22 175.40 2yu9 s GLN 11 N -2.18 2.46 0.08 0.44 2.00 0.21 -1.37 119.66 121.31 2yu9 s GLN 11 Ca 0.16 -1.43 -0.31 0.00 -2.00 0.00 0.00 55.36 51.79 2yu9 s GLN 11 Cb -0.10 -3.57 -0.09 0.00 0.80 0.00 0.00 33.01 30.05 2yu9 s GLN 11 CO 0.08 -0.85 1.83 0.08 -0.50 0.00 0.00 175.29 175.93 2yu9 s VAL 12 N 1.34 2.79 -0.25 1.34 1.01 -1.26 -2.83 120.40 122.54 2yu9 s VAL 12 Ca 0.02 0.14 0.03 0.00 0.00 0.00 0.00 61.98 62.17 2yu9 s VAL 12 Cb -0.21 -3.09 -0.01 0.00 0.00 0.00 0.00 36.38 33.06 2yu9 s VAL 12 CO 0.01 -0.00 0.31 -1.54 0.00 0.00 0.00 175.10 173.87 2yu9 n SER 13 N 6.21 0.57 -3.35 3.32 3.41 0.86 -1.56 113.62 123.08 2yu9 n SER 13 Ca 0.18 -0.79 0.02 0.00 -0.26 0.00 0.00 58.87 58.03 2yu9 n SER 13 Cb 0.39 0.62 -0.03 0.00 -0.26 0.00 0.00 64.21 64.94 2yu9 n SER 13 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2yu9 s GLU 14 N -0.91 0.44 -0.07 4.33 2.12 -1.16 -4.91 118.70 118.53 2yu9 s GLU 14 Ca 0.02 0.95 -0.13 0.00 0.36 0.00 0.00 54.97 56.17 2yu9 s GLU 14 Cb 0.02 0.55 -0.05 0.00 0.26 0.00 0.00 34.13 34.92 2yu9 s GLU 14 CO 0.09 -0.31 0.33 0.54 -0.54 0.00 0.00 175.26 175.37 2yu9 s VAL 15 N 2.79 5.21 -0.22 3.70 0.11 -1.26 -2.01 120.40 128.71 2yu9 s VAL 15 Ca 0.04 0.64 -0.04 0.00 -2.93 0.00 0.00 61.98 59.69 2yu9 s VAL 15 Cb -0.11 -3.63 0.08 0.00 -1.53 0.00 0.00 36.38 31.18 2yu9 s VAL 15 CO -0.18 0.52 0.10 -0.62 -3.33 0.00 0.00 175.10 171.60 2yu9 s ASP 16 N -0.58 2.92 -0.18 3.54 2.15 -1.04 -5.01 116.67 118.46 2yu9 s ASP 16 Ca 0.20 -0.93 0.01 0.00 0.43 0.00 0.00 52.55 52.26 2yu9 s ASP 16 Cb -0.15 -0.35 0.22 0.00 -0.30 0.00 0.00 42.92 42.35 2yu9 s ASP 16 CO 0.09 -0.38 1.51 -0.81 -0.17 0.00 0.00 175.17 175.40 2yu9 n PRO 17 N 5.23 1.50 -1.52 4.34 -0.04 -1.26 -3.15 135.00 140.09 2yu9 n PRO 17 Ca -0.07 -1.12 -0.22 0.00 -0.04 0.00 0.00 63.50 62.05 2yu9 n PRO 17 Cb 0.46 -1.44 -0.15 0.00 -0.04 0.00 0.00 33.50 32.33 2yu9 n PRO 17 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2yu9 n GLY 18 N 0.08 -0.33 2.38 0.55 0.00 -1.26 -2.36 105.19 104.25 2yu9 n GLY 18 Ca 0.22 0.28 -0.16 0.00 0.00 0.00 0.00 46.02 46.36 2yu9 n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yu9 n ARG 19 N 7.22 -1.80 -3.04 1.61 5.12 -1.26 -4.98 116.66 119.52 2yu9 n ARG 19 Ca 0.58 0.84 -0.12 0.00 -1.93 0.00 0.00 57.85 57.22 2yu9 n ARG 19 Cb 0.26 -5.39 -0.03 0.00 -1.16 0.00 0.00 32.46 26.14 2yu9 n ARG 19 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2yu9 n TYR 20 N -3.26 0.37 0.00 -1.55 0.53 -0.99 -5.09 117.16 107.17 2yu9 n TYR 20 Ca -0.19 -1.01 0.00 0.00 -1.02 0.00 0.00 57.90 55.68 2yu9 n TYR 20 Cb 0.62 -0.10 0.00 0.00 -1.03 0.00 0.00 39.34 38.83 2yu9 n TYR 20 CO 0.00 0.00 0.00 0.09 -1.02 0.00 0.00 176.86 175.93 2yu9 n ASN 21 N -1.30 0.00 -0.00 7.72 3.02 -1.26 -4.90 115.26 118.53 2yu9 n ASN 21 Ca -0.07 0.00 0.03 0.00 -0.03 0.00 0.00 54.58 54.51 2yu9 n ASN 21 Cb 0.25 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.38 2yu9 n ASN 21 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2yu9 n LYS 22 N -0.15 1.53 -4.73 3.52 5.02 -1.26 -4.74 118.16 117.35 2yu9 n LYS 22 Ca 0.00 -0.04 -0.28 0.00 -2.02 0.00 0.00 58.31 55.97 2yu9 n LYS 22 Cb 0.00 -1.06 -0.14 0.00 -0.02 0.00 0.00 35.03 33.81 2yu9 n LYS 22 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2yu9 s VAL 23 N -2.22 1.96 -0.02 -0.18 1.01 -1.26 -1.83 120.40 117.86 2yu9 s VAL 23 Ca -0.01 -1.36 0.02 0.00 0.00 0.00 0.00 61.98 60.62 2yu9 s VAL 23 Cb 0.04 -1.70 0.00 0.00 0.00 0.00 0.00 36.38 34.73 2yu9 s VAL 23 CO 0.28 0.26 -0.07 0.00 0.00 0.00 0.00 175.10 175.57 2yu9 s ARG 25 N 0.17 4.53 0.30 0.00 3.52 -1.19 0.06 118.95 126.34 2yu9 s ARG 25 Ca -0.02 1.33 0.08 0.00 -0.13 0.00 0.00 55.73 57.00 2yu9 s ARG 25 Cb -0.07 -3.47 -0.04 0.00 -1.56 0.00 0.00 34.95 29.82 2yu9 s ARG 25 CO -0.00 -0.06 0.12 -1.50 -0.81 0.00 0.00 175.30 173.05 2yu9 s ILE 26 N 1.08 3.49 -0.07 4.11 1.10 0.14 -2.51 121.20 128.54 2yu9 s ILE 26 Ca 0.49 -1.68 -0.03 0.00 -0.51 0.00 0.00 60.65 58.93 2yu9 s ILE 26 Cb -0.20 -3.04 0.04 0.00 0.15 0.00 0.00 42.46 39.41 2yu9 s ILE 26 CO 0.26 -0.28 0.14 -0.70 -2.11 0.00 0.00 174.94 172.25 2yu9 s GLU 27 N -3.80 0.05 -0.04 3.50 2.56 -0.85 -2.86 118.70 117.25 2yu9 s GLU 27 Ca 0.35 0.43 -0.22 0.00 0.00 0.00 0.00 54.97 55.54 2yu9 s GLU 27 Cb -0.05 -0.24 0.04 0.00 2.00 0.00 0.00 34.13 35.89 2yu9 s GLU 27 CO 0.23 -0.23 0.47 0.00 -0.56 0.00 0.00 175.26 175.17 2yu9 s ALA 28 N 1.63 -1.22 0.12 6.30 0.00 -0.77 0.30 121.76 128.12 2yu9 s ALA 28 Ca -0.04 0.81 0.06 0.00 0.00 0.00 0.00 51.96 52.80 2yu9 s ALA 28 Cb -0.12 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 2yu9 s ALA 28 CO -0.06 -0.30 -0.15 0.00 0.00 0.00 0.00 175.76 175.25 2yu9 s ALA 29 N -1.15 1.55 0.33 0.00 0.00 -1.13 -0.66 121.76 120.71 2yu9 s ALA 29 Ca -0.11 -1.27 -0.27 0.00 0.00 0.00 0.00 51.96 50.31 2yu9 s ALA 29 Cb -0.03 -0.12 -0.09 0.00 0.00 0.00 0.00 23.12 22.88 2yu9 s ALA 29 CO 0.06 0.16 1.04 -1.54 0.00 0.00 0.00 175.76 175.48 2yu9 s SER 30 N -2.30 7.13 0.10 0.00 1.04 -1.26 -0.62 113.70 117.78 2yu9 s SER 30 Ca 0.08 2.08 -0.16 0.00 0.48 0.00 0.00 55.95 58.42 2yu9 s SER 30 Cb -0.06 -2.60 -0.06 0.00 0.10 0.00 0.00 66.02 63.40 2yu9 s SER 30 CO 0.04 -0.23 1.52 0.74 0.98 0.00 0.00 173.24 176.28 2yu9 h THR 31 N 2.68 1.27 0.14 2.02 2.02 -1.76 -3.36 112.91 115.93 2yu9 h THR 31 Ca -0.47 -1.07 -0.01 0.00 0.77 0.00 0.00 66.41 65.63 2yu9 h THR 31 Cb 1.21 1.32 0.00 0.00 -1.74 0.00 0.00 68.15 68.94 2yu9 h THR 31 CO 0.65 0.35 -0.07 0.71 0.37 0.00 0.00 175.52 177.53 2yu9 h THR 32 N 0.39 0.97 -4.29 3.16 1.35 -1.93 -3.45 112.91 109.11 2yu9 h THR 32 Ca 0.08 -0.50 -0.56 0.00 -0.55 0.00 0.00 66.41 64.89 2yu9 h THR 32 Cb 0.53 1.28 -0.28 0.00 -1.73 0.00 0.00 68.15 67.95 2yu9 h THR 32 CO 0.03 0.12 -0.84 -1.10 -0.25 0.00 0.00 175.52 173.48 2yu9 s GLN 33 N -5.18 1.43 -0.02 4.72 -0.21 -1.26 -5.09 119.66 114.05 2yu9 s GLN 33 Ca -0.15 -0.73 -0.11 0.00 0.02 0.00 0.00 55.36 54.40 2yu9 s GLN 33 Cb 0.03 -1.42 -0.06 0.00 1.00 0.00 0.00 33.01 32.56 2yu9 s GLN 33 CO 0.63 0.38 0.61 -0.44 -2.12 0.00 0.00 175.29 174.35 2yu9 h ASP 34 N 5.44 -0.33 -0.20 5.90 3.32 -1.88 -3.39 116.42 125.29 2yu9 h ASP 34 Ca -0.39 0.01 -0.52 0.00 0.02 0.00 0.00 57.03 56.15 2yu9 h ASP 34 Cb 1.15 0.08 0.01 0.00 0.22 0.00 0.00 39.33 40.80 2yu9 h ASP 34 CO 0.47 -0.06 1.78 0.00 -1.72 0.00 0.00 179.24 179.71 2yu9 n GLN 35 N -3.98 1.54 -3.45 3.56 -0.00 -1.26 -4.81 117.38 108.97 2yu9 n GLN 35 Ca -0.05 -2.10 -0.12 0.00 -0.00 0.00 0.00 57.00 54.73 2yu9 n GLN 35 Cb 0.15 -3.25 -0.03 0.00 -0.00 0.00 0.00 30.24 27.12 2yu9 n GLN 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2yu9 s LYS 37 N -3.25 0.94 -0.02 0.00 2.20 -1.03 -4.47 119.74 114.12 2yu9 s LYS 37 Ca 0.00 0.28 -0.01 0.00 -0.36 0.00 0.00 55.97 55.88 2yu9 s LYS 37 Cb -0.01 0.44 0.01 0.00 -1.51 0.00 0.00 37.83 36.77 2yu9 s LYS 37 CO -0.09 -0.27 0.04 -1.17 -0.36 0.00 0.00 175.35 173.50 2yu9 s LEU 38 N -0.97 1.58 -0.05 5.43 0.20 0.16 -0.85 118.68 124.17 2yu9 s LEU 38 Ca -0.10 0.07 0.06 0.00 0.69 0.00 0.00 54.13 54.86 2yu9 s LEU 38 Cb -0.02 0.07 -0.01 0.00 -0.43 0.00 0.00 46.19 45.80 2yu9 s LEU 38 CO 0.08 -0.05 -0.25 -0.89 -0.29 0.00 0.00 176.35 174.94 2yu9 s THR 39 N 0.40 2.09 -0.18 3.68 2.01 -0.45 -1.84 115.64 121.35 2yu9 s THR 39 Ca -0.03 -1.06 -0.12 0.00 0.31 0.00 0.00 61.69 60.79 2yu9 s THR 39 Cb -0.05 -1.75 0.06 0.00 0.01 0.00 0.00 72.50 70.77 2yu9 s THR 39 CO -0.01 0.57 0.45 -0.22 -0.69 0.00 0.00 174.62 174.72 2yu9 s LEU 40 N -0.25 -0.08 -0.62 4.42 2.96 -1.14 -0.26 118.68 123.71 2yu9 s LEU 40 Ca -0.01 0.96 -0.23 0.00 -0.22 0.00 0.00 54.13 54.63 2yu9 s LEU 40 Cb -0.13 1.50 0.06 0.00 0.50 0.00 0.00 46.19 48.12 2yu9 s LEU 40 CO 0.03 -0.19 0.95 -1.81 -1.32 0.00 0.00 176.35 174.01 2yu9 s ASP 41 N 1.12 6.22 0.13 3.68 1.01 -0.53 0.24 116.67 128.55 2yu9 s ASP 41 Ca -0.07 -0.79 -0.09 0.00 0.71 0.00 0.00 52.55 52.31 2yu9 s ASP 41 Cb -0.07 -2.42 -0.06 0.00 1.01 0.00 0.00 42.92 41.38 2yu9 s ASP 41 CO -0.10 -1.37 0.44 -0.63 0.21 0.00 0.00 175.17 173.72 2yu9 s ILE 42 N 4.01 5.06 -1.36 0.77 -1.09 0.11 -4.70 121.20 124.01 2yu9 s ILE 42 Ca 0.24 0.38 -0.14 0.00 -2.23 0.00 0.00 60.65 58.90 2yu9 s ILE 42 Cb -0.16 -3.64 0.09 0.00 -1.58 0.00 0.00 42.46 37.17 2yu9 s ILE 42 CO 0.13 0.15 1.94 -3.20 -1.23 0.00 0.00 174.94 172.73 2yu9 n ASN 43 N 0.47 4.54 -0.38 3.58 2.85 -1.26 -0.32 115.26 124.74 2yu9 n ASN 43 Ca -0.05 -2.93 0.34 0.00 -0.11 0.00 0.00 54.58 51.84 2yu9 n ASN 43 Cb 0.52 -1.64 0.68 0.00 1.24 0.00 0.00 39.78 40.58 2yu9 n ASN 43 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 2yu9 h VAL 44 N 4.47 0.35 0.00 3.44 2.07 -1.56 0.19 116.25 125.22 2yu9 h VAL 44 Ca 0.48 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.94 2yu9 h VAL 44 Cb 0.73 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 2yu9 h VAL 44 CO 1.65 0.02 -0.09 -0.08 0.02 0.00 0.00 177.57 179.09 2yu9 h GLU 45 N 0.12 0.00 0.01 1.57 4.81 -1.84 -2.34 114.58 116.90 2yu9 h GLU 45 Ca 0.65 0.00 -0.38 0.00 -0.13 0.00 0.00 59.36 59.50 2yu9 h GLU 45 Cb 2.28 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 31.59 2yu9 h GLU 45 CO -0.15 0.09 -2.41 1.28 -0.73 0.00 0.00 179.01 177.09 2yu9 n LEU 46 N -3.77 2.47 -3.78 1.64 4.77 0.64 -4.77 117.00 114.20 2yu9 n LEU 46 Ca -0.02 -0.08 -0.30 0.00 -0.03 0.00 0.00 56.01 55.58 2yu9 n LEU 46 Cb 0.20 -0.70 -0.14 0.00 -2.33 0.00 0.00 43.42 40.45 2yu9 n LEU 46 CO 0.30 0.86 -0.29 0.12 -1.33 0.00 0.00 177.39 177.04 2yu9 s PHE 47 N -2.52 2.18 0.38 -1.77 5.36 -1.06 -5.11 117.98 115.45 2yu9 s PHE 47 Ca -0.30 -2.24 -0.27 0.00 -0.96 0.00 0.00 56.93 53.17 2yu9 s PHE 47 Cb 0.08 -2.01 -0.09 0.00 -0.34 0.00 0.00 43.02 40.66 2yu9 s PHE 47 CO 0.65 -0.85 1.25 -2.14 -1.46 0.00 0.00 175.22 172.67 2yu9 s PRO 48 N 0.97 4.12 -0.15 10.12 0.02 -0.89 -4.34 135.00 144.86 2yu9 s PRO 48 Ca 0.13 2.05 -0.00 0.00 0.02 0.00 0.00 61.00 63.19 2yu9 s PRO 48 Cb -0.21 -2.82 0.04 0.00 0.02 0.00 0.00 34.50 31.53 2yu9 s PRO 48 CO -0.12 -0.33 -0.07 0.08 -0.33 0.00 0.00 177.00 176.23 2yu9 s VAL 49 N -1.28 1.13 -0.14 3.83 1.01 -1.26 -5.09 120.40 118.60 2yu9 s VAL 49 Ca 0.54 -0.53 -0.07 0.00 0.00 0.00 0.00 61.98 61.92 2yu9 s VAL 49 Cb -0.36 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 2yu9 s VAL 49 CO 0.46 0.23 0.11 0.00 0.00 0.00 0.00 175.10 175.89 2yu9 s ALA 50 N 1.64 3.70 0.51 5.51 0.00 -1.26 -4.93 121.76 126.93 2yu9 s ALA 50 Ca 0.02 -0.69 -0.21 0.00 0.00 0.00 0.00 51.96 51.09 2yu9 s ALA 50 Cb -0.14 -1.92 -0.08 0.00 0.00 0.00 0.00 23.12 20.97 2yu9 s ALA 50 CO -0.08 0.48 0.86 0.00 0.00 0.00 0.00 175.76 177.02 2yu9 n ALA 51 N 2.47 -0.20 -2.98 0.00 0.00 -1.26 -3.93 120.51 114.62 2yu9 n ALA 51 Ca -0.19 0.10 -0.14 0.00 0.00 0.00 0.00 53.44 53.21 2yu9 n ALA 51 Cb 0.54 -2.02 0.02 0.00 0.00 0.00 0.00 19.45 17.99 2yu9 n ALA 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2yu9 n GLN 52 N -0.26 -2.32 -2.89 0.00 6.02 -0.60 -5.03 117.38 112.29 2yu9 n GLN 52 Ca 0.11 2.01 -0.02 0.00 -0.01 0.00 0.00 57.00 59.09 2yu9 n GLN 52 Cb 0.44 -4.94 0.01 0.00 1.02 0.00 0.00 30.24 26.76 2yu9 n GLN 52 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2yu9 s ASP 53 N -2.34 -1.37 0.34 1.08 2.15 -1.25 -4.97 116.67 110.30 2yu9 s ASP 53 Ca 0.27 -1.32 -0.28 0.00 0.43 0.00 0.00 52.55 51.65 2yu9 s ASP 53 Cb -0.06 1.78 -0.12 0.00 -0.30 0.00 0.00 42.92 44.21 2yu9 s ASP 53 CO 0.79 -0.08 1.32 -1.20 -0.17 0.00 0.00 175.17 175.83 2yu9 n SER 54 N 3.38 2.92 -4.21 -0.34 7.64 -1.26 -4.14 113.62 117.60 2yu9 n SER 54 Ca 0.15 1.21 -0.13 0.00 1.01 0.00 0.00 58.87 61.11 2yu9 n SER 54 Cb 0.57 -1.50 -0.10 0.00 -1.01 0.00 0.00 64.21 62.17 2yu9 n SER 54 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2yu9 s LEU 55 N -1.12 2.50 -0.17 -3.43 1.43 -0.47 -4.94 118.68 112.47 2yu9 s LEU 55 Ca 0.56 -0.96 -0.02 0.00 -1.03 0.00 0.00 54.13 52.67 2yu9 s LEU 55 Cb -0.56 -0.28 -0.01 0.00 0.03 0.00 0.00 46.19 45.38 2yu9 s LEU 55 CO 0.62 -0.34 -0.09 -0.89 0.23 0.00 0.00 176.35 175.87 2yu9 s THR 56 N -3.17 3.17 -0.16 5.49 2.01 -1.08 -0.11 115.64 121.78 2yu9 s THR 56 Ca 0.13 -0.59 0.01 0.00 0.31 0.00 0.00 61.69 61.55 2yu9 s THR 56 Cb 0.02 -2.38 0.02 0.00 0.01 0.00 0.00 72.50 70.16 2yu9 s THR 56 CO -0.01 0.48 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.52 2yu9 s VAL 57 N 0.89 1.93 0.15 3.82 1.01 -0.02 -2.10 120.40 126.08 2yu9 s VAL 57 Ca -0.02 -0.87 0.06 0.00 0.00 0.00 0.00 61.98 61.14 2yu9 s VAL 57 Cb -0.15 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 2yu9 s VAL 57 CO 0.00 0.52 -0.12 0.42 0.00 0.00 0.00 175.10 175.92 2yu9 s THR 58 N 1.15 1.37 -0.06 3.92 -4.23 -0.34 -2.28 115.64 115.16 2yu9 s THR 58 Ca 0.00 -1.99 0.01 0.00 -1.18 0.00 0.00 61.69 58.53 2yu9 s THR 58 Cb -0.14 -1.79 0.02 0.00 1.34 0.00 0.00 72.50 71.93 2yu9 s THR 58 CO -0.08 -0.60 -0.05 -0.63 -0.54 0.00 0.00 174.62 172.71 2yu9 s ILE 59 N -2.85 0.68 0.08 2.99 1.01 -0.93 -1.86 121.20 120.32 2yu9 s ILE 59 Ca 0.16 -0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.64 2yu9 s ILE 59 Cb -0.01 -0.71 -0.00 0.00 0.01 0.00 0.00 42.46 41.76 2yu9 s ILE 59 CO 0.03 0.27 0.00 0.00 0.00 0.00 0.00 174.94 175.24 2yu9 n ALA 60 N 4.31 0.07 -0.89 9.38 0.00 -1.12 0.27 120.51 132.53 2yu9 n ALA 60 Ca -0.20 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 52.86 2yu9 n ALA 60 Cb 0.51 0.21 0.00 0.00 0.00 0.00 0.00 19.45 20.17 2yu9 n ALA 60 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2yu9 n SER 61 N -1.15 0.14 0.00 0.00 3.41 -1.25 -2.87 113.62 111.90 2yu9 n SER 61 Ca -0.03 -1.03 0.00 0.00 -0.26 0.00 0.00 58.87 57.55 2yu9 n SER 61 Cb 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 2yu9 n SER 61 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2yu9 n SER 62 N -0.01 0.00 -3.47 4.04 3.41 -1.26 -4.69 113.62 111.64 2yu9 n SER 62 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.25 2yu9 n SER 62 Cb 0.28 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.20 2yu9 n SER 62 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2yu9 n LEU 63 N -0.21 5.18 -0.28 1.04 4.77 -1.26 -5.00 117.00 121.24 2yu9 n LEU 63 Ca 0.00 -3.20 0.00 0.00 -0.03 0.00 0.00 56.01 52.78 2yu9 n LEU 63 Cb 0.00 -1.23 0.00 0.00 -2.33 0.00 0.00 43.42 39.86 2yu9 n LEU 63 CO 0.00 0.38 0.00 0.41 -1.33 0.00 0.00 177.39 176.85 2yu9 n THR 76 N 5.08 -0.37 -1.56 -5.08 -1.04 -1.26 -4.30 114.28 105.75 2yu9 n THR 76 Ca 0.51 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.52 2yu9 n THR 76 Cb 0.30 -0.74 0.00 0.00 -1.82 0.00 0.00 70.33 68.07 2yu9 n THR 76 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2yu9 n ARG 77 N -0.06 0.00 -4.26 -2.82 1.74 -1.26 -4.83 116.66 105.18 2yu9 n ARG 77 Ca 0.00 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.85 2yu9 n ARG 77 Cb 0.00 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.37 2yu9 n ARG 77 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2yu9 s SER 78 N -4.00 4.74 -0.30 0.55 0.15 -1.26 -5.09 113.70 108.49 2yu9 s SER 78 Ca 0.00 -0.57 -0.22 0.00 0.70 0.00 0.00 55.95 55.87 2yu9 s SER 78 Cb 0.00 -0.95 -0.01 0.00 -1.71 0.00 0.00 66.02 63.35 2yu9 s SER 78 CO 0.00 -0.01 0.69 0.86 1.20 0.00 0.00 173.24 175.98 2yu9 s TRP 79 N -2.29 3.22 0.02 3.44 -0.00 -1.26 -5.07 118.94 117.00 2yu9 s TRP 79 Ca 0.32 0.69 -0.02 0.00 -0.00 0.00 0.00 56.10 57.10 2yu9 s TRP 79 Cb -0.07 -3.06 -0.04 0.00 -0.00 0.00 0.00 33.47 30.30 2yu9 s TRP 79 CO 0.21 -0.50 0.19 1.03 -0.00 0.00 0.00 176.95 177.88 2yu9 s ARG 80 N 2.73 3.42 0.18 5.86 0.52 -1.26 -5.07 118.95 125.34 2yu9 s ARG 80 Ca 0.28 -0.38 -0.31 0.00 -0.52 0.00 0.00 55.73 54.81 2yu9 s ARG 80 Cb -0.15 -3.06 -0.17 0.00 0.52 0.00 0.00 34.95 32.09 2yu9 s ARG 80 CO 0.12 0.65 0.85 -2.30 0.02 0.00 0.00 175.30 174.63 2yu9 n PRO 81 N 0.69 0.53 0.00 3.54 -0.01 -1.26 -4.88 135.00 133.61 2yu9 n PRO 81 Ca -0.09 0.19 -0.12 0.00 -0.01 0.00 0.00 63.50 63.47 2yu9 n PRO 81 Cb 0.52 -1.45 -0.06 0.00 -0.01 0.00 0.00 33.50 32.50 2yu9 n PRO 81 CO 0.00 0.00 0.00 -1.35 -0.01 0.00 0.00 175.50 174.14 2yu9 h PRO 82 N 2.04 -0.48 -6.23 0.52 0.11 -2.05 -3.46 132.00 122.44 2yu9 h PRO 82 Ca -0.37 0.03 -0.44 0.00 0.11 0.00 0.00 66.00 65.33 2yu9 h PRO 82 Cb 1.40 0.11 0.06 0.00 0.11 0.00 0.00 31.00 32.68 2yu9 h PRO 82 CO 0.62 -0.32 -0.92 0.94 -0.21 0.00 0.00 178.00 178.11 2yu9 n GLN 83 N -5.44 -2.02 -0.64 1.05 7.27 -1.26 -4.85 117.38 111.50 2yu9 n GLN 83 Ca -0.04 0.48 -0.05 0.00 0.07 0.00 0.00 57.00 57.46 2yu9 n GLN 83 Cb 0.36 -4.36 -0.06 0.00 2.41 0.00 0.00 30.24 28.59 2yu9 n GLN 83 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2yu9 n ALA 84 N -4.20 4.61 0.14 1.69 0.00 -1.26 -4.05 120.51 117.43 2yu9 n ALA 84 Ca -0.15 -0.69 -0.01 0.00 0.00 0.00 0.00 53.44 52.59 2yu9 n ALA 84 Cb 0.62 -1.62 0.23 0.00 0.00 0.00 0.00 19.45 18.69 2yu9 n ALA 84 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2yu9 h GLY 85 N 3.95 0.09 -5.08 0.00 0.00 -2.02 -3.37 103.07 96.64 2yu9 h GLY 85 Ca 0.07 -0.09 -0.21 0.00 0.00 0.00 0.00 47.33 47.10 2yu9 h GLY 85 CO 0.11 0.08 -0.51 1.22 0.00 0.00 0.00 176.54 177.44 2yu9 n ASP 86 N -3.95 -0.78 -4.98 0.19 8.00 -1.26 -5.16 116.55 108.61 2yu9 n ASP 86 Ca -0.02 -2.27 -0.19 0.00 0.71 0.00 0.00 54.79 53.03 2yu9 n ASP 86 Cb 0.52 0.45 0.01 0.00 -0.02 0.00 0.00 41.12 42.08 2yu9 n ASP 86 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2yu9 s ARG 87 N -0.83 2.62 -0.27 -1.24 1.81 -1.26 -5.13 118.95 114.65 2yu9 s ARG 87 Ca 0.16 -1.44 -0.04 0.00 -1.72 0.00 0.00 55.73 52.69 2yu9 s ARG 87 Cb 0.42 -2.62 0.15 0.00 -0.45 0.00 0.00 34.95 32.45 2yu9 s ARG 87 CO -0.09 -0.40 0.52 -1.54 -0.68 0.00 0.00 175.30 173.10 2yu9 s SER 88 N -4.37 -0.70 0.48 0.23 1.04 -1.26 -5.01 113.70 104.12 2yu9 s SER 88 Ca 0.54 0.86 0.03 0.00 0.48 0.00 0.00 55.95 57.86 2yu9 s SER 88 Cb -0.07 1.76 -0.03 0.00 0.10 0.00 0.00 66.02 67.79 2yu9 s SER 88 CO 0.33 -0.26 0.05 -0.76 0.98 0.00 0.00 173.24 173.58 2yu9 s LEU 89 N 2.74 2.52 -0.02 2.42 1.02 -1.26 -5.00 118.68 121.10 2yu9 s LEU 89 Ca 0.10 -1.51 -0.02 0.00 0.02 0.00 0.00 54.13 52.72 2yu9 s LEU 89 Cb -0.14 -0.86 -0.06 0.00 0.02 0.00 0.00 46.19 45.15 2yu9 s LEU 89 CO -0.18 -0.76 2.41 0.00 0.02 0.00 0.00 176.35 177.84 2yu9 n ALA 90 N -1.24 4.65 1.82 4.21 0.00 -1.26 -4.61 120.51 124.08 2yu9 n ALA 90 Ca -0.13 -0.55 0.08 0.00 0.00 0.00 0.00 53.44 52.85 2yu9 n ALA 90 Cb 0.67 -1.35 0.45 0.00 0.00 0.00 0.00 19.45 19.22 2yu9 n ALA 90 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2yu9 n ASP 91 N 1.70 0.37 0.31 0.00 5.68 -1.26 -4.33 116.55 119.02 2yu9 n ASP 91 Ca 0.12 -1.55 0.01 0.00 -0.50 0.00 0.00 54.79 52.87 2yu9 n ASP 91 Cb 0.61 -0.03 0.06 0.00 -1.14 0.00 0.00 41.12 40.62 2yu9 n ASP 91 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2yu9 h ASP 92 N 0.48 0.00 -1.83 -1.12 3.45 -2.01 -3.42 116.42 111.97 2yu9 h ASP 92 Ca 0.00 0.00 -0.47 0.00 0.43 0.00 0.00 57.03 56.99 2yu9 h ASP 92 Cb 0.11 0.00 0.06 0.00 -0.56 0.00 0.00 39.33 38.94 2yu9 h ASP 92 CO 0.00 0.00 0.02 -0.31 -1.57 0.00 0.00 179.24 177.38 2yu9 s TYR 93 N -3.91 1.79 -0.23 4.55 4.12 -1.26 -5.04 117.35 117.38 2yu9 s TYR 93 Ca -0.00 -0.36 -0.14 0.00 0.02 0.00 0.00 57.07 56.59 2yu9 s TYR 93 Cb 0.01 -2.73 -0.17 0.00 -1.52 0.00 0.00 41.96 37.54 2yu9 s TYR 93 CO 0.02 -1.38 -0.02 -0.25 0.02 0.00 0.00 175.55 173.94 2yu9 n ASP 94 N -2.56 1.95 -4.14 2.29 8.00 -0.58 -4.96 116.55 116.54 2yu9 n ASP 94 Ca 0.14 0.30 -0.32 0.00 0.71 0.00 0.00 54.79 55.62 2yu9 n ASP 94 Cb 0.61 -0.84 -0.16 0.00 -0.02 0.00 0.00 41.12 40.71 2yu9 n ASP 94 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2yu9 s TYR 95 N -2.46 2.58 -0.05 1.24 5.04 -0.36 -5.01 117.35 118.32 2yu9 s TYR 95 Ca -0.32 -1.34 -0.02 0.00 -2.44 0.00 0.00 57.07 52.94 2yu9 s TYR 95 Cb 0.10 -1.77 0.03 0.00 0.35 0.00 0.00 41.96 40.66 2yu9 s TYR 95 CO 0.58 -0.63 0.10 0.54 -1.34 0.00 0.00 175.55 174.80 2yu9 s VAL 96 N 0.95 -0.04 0.24 3.14 0.11 -1.26 0.09 120.40 123.63 2yu9 s VAL 96 Ca -0.04 0.16 0.08 0.00 -2.93 0.00 0.00 61.98 59.24 2yu9 s VAL 96 Cb -0.15 -0.18 -0.05 0.00 -1.53 0.00 0.00 36.38 34.47 2yu9 s VAL 96 CO -0.04 0.07 -0.11 -0.04 -3.33 0.00 0.00 175.10 171.64 2yu9 s MET 97 N 0.95 1.43 0.00 1.54 -1.94 0.30 -4.99 119.30 116.60 2yu9 s MET 97 Ca -0.08 -1.67 0.05 0.00 -1.71 0.00 0.00 55.69 52.28 2yu9 s MET 97 Cb -0.10 -1.17 -0.03 0.00 2.01 0.00 0.00 34.83 35.54 2yu9 s MET 97 CO -0.04 0.14 -0.16 -0.47 -0.01 0.00 0.00 175.02 174.48 2yu9 s TYR 98 N -2.96 2.64 0.07 -0.03 5.04 -1.26 -0.57 117.35 120.27 2yu9 s TYR 98 Ca 0.26 -0.20 -0.02 0.00 -2.44 0.00 0.00 57.07 54.66 2yu9 s TYR 98 Cb 0.01 -1.54 0.01 0.00 0.35 0.00 0.00 41.96 40.78 2yu9 s TYR 98 CO 0.09 0.23 0.12 0.41 -1.34 0.00 0.00 175.55 175.07 2yu9 n GLY 99 N 1.86 2.14 3.03 8.97 0.00 -1.00 -4.29 105.19 115.90 2yu9 n GLY 99 Ca -0.16 -1.16 -0.23 0.00 0.00 0.00 0.00 46.02 44.48 2yu9 n GLY 99 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2yu9 s THR 100 N -2.75 1.00 0.20 2.61 2.01 0.16 -4.44 115.64 114.43 2yu9 s THR 100 Ca 0.03 -0.46 -0.26 0.00 0.31 0.00 0.00 61.69 61.31 2yu9 s THR 100 Cb -0.01 -0.89 -0.08 0.00 0.01 0.00 0.00 72.50 71.53 2yu9 s THR 100 CO 0.03 0.31 0.82 0.00 -0.69 0.00 0.00 174.62 175.08 2yu9 s ALA 101 N 0.27 3.41 0.00 7.40 0.00 -1.26 -0.21 121.76 131.37 2yu9 s ALA 101 Ca -0.06 0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.32 2yu9 s ALA 101 Cb -0.11 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 19.99 2yu9 s ALA 101 CO 0.01 0.27 0.00 2.48 0.00 0.00 0.00 175.76 178.52 2yu9 n TYR 102 N 1.43 0.00 -2.23 0.00 -0.00 -0.33 -4.93 117.16 111.10 2yu9 n TYR 102 Ca -0.04 0.00 -0.41 0.00 -0.00 0.00 0.00 57.90 57.45 2yu9 n TYR 102 Cb 0.49 0.00 -0.03 0.00 -0.00 0.00 0.00 39.34 39.80 2yu9 n TYR 102 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.86 177.01 2yu9 s LYS 103 N 0.61 4.44 -0.81 -3.48 -0.14 -1.26 -4.90 119.74 114.21 2yu9 s LYS 103 Ca 0.00 2.09 0.02 0.00 -1.36 0.00 0.00 55.97 56.72 2yu9 s LYS 103 Cb 0.00 -3.11 0.27 0.00 -1.68 0.00 0.00 37.83 33.31 2yu9 s LYS 103 CO 0.00 -0.07 1.00 1.19 -0.76 0.00 0.00 175.35 176.71 2yu9 n PHE 104 N 0.99 3.19 -2.63 3.18 3.01 -1.26 -3.15 117.46 120.80 2yu9 n PHE 104 Ca -0.00 -3.61 -0.37 0.00 1.01 0.00 0.00 57.45 54.48 2yu9 n PHE 104 Cb 0.43 -0.83 -0.05 0.00 -0.01 0.00 0.00 39.48 39.02 2yu9 n PHE 104 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 2yu9 s GLU 105 N -2.52 4.35 -0.32 -1.08 2.12 -1.02 -4.93 118.70 115.30 2yu9 s GLU 105 Ca 0.36 1.46 0.04 0.00 0.36 0.00 0.00 54.97 57.18 2yu9 s GLU 105 Cb 0.10 -2.67 0.09 0.00 0.26 0.00 0.00 34.13 31.91 2yu9 s GLU 105 CO 0.02 0.03 0.00 -2.00 -0.54 0.00 0.00 175.26 172.78 2yu9 s GLU 106 N -2.29 1.73 0.01 4.30 2.12 -1.26 -1.77 118.70 121.53 2yu9 s GLU 106 Ca 0.54 -1.71 -0.30 0.00 0.36 0.00 0.00 54.97 53.86 2yu9 s GLU 106 Cb -0.21 -3.12 -0.05 0.00 0.26 0.00 0.00 34.13 31.01 2yu9 s GLU 106 CO 0.27 -0.83 1.28 0.08 -0.54 0.00 0.00 175.26 175.53 2yu9 s VAL 107 N 0.97 3.93 0.21 3.70 1.01 -1.21 -4.93 120.40 124.08 2yu9 s VAL 107 Ca 0.05 1.33 -0.07 0.00 0.00 0.00 0.00 61.98 63.28 2yu9 s VAL 107 Cb -0.19 -3.85 -0.06 0.00 0.00 0.00 0.00 36.38 32.27 2yu9 s VAL 107 CO -0.07 0.03 -0.05 -1.20 0.00 0.00 0.00 175.10 173.81 2yu9 n SER 108 N 4.83 -1.52 0.00 3.32 7.64 -1.26 -3.88 113.62 122.75 2yu9 n SER 108 Ca 0.11 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.27 2yu9 n SER 108 Cb 0.45 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 2yu9 n SER 108 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2yu9 n LYS 109 N 0.62 0.00 0.19 1.43 2.85 -1.26 -4.05 118.16 117.94 2yu9 n LYS 109 Ca 0.03 0.00 0.14 0.00 -1.05 0.00 0.00 58.31 57.43 2yu9 n LYS 109 Cb 0.20 0.00 0.58 0.00 -0.65 0.00 0.00 35.03 35.16 2yu9 n LYS 109 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 177.40 177.73 2yu9 h ASP 110 N 2.78 0.00 -2.62 -5.58 3.04 -1.98 -3.44 116.42 108.62 2yu9 h ASP 110 Ca 0.00 0.00 -0.60 0.00 -3.24 0.00 0.00 57.03 53.19 2yu9 h ASP 110 Cb 0.00 0.00 0.11 0.00 -1.04 0.00 0.00 39.33 38.40 2yu9 h ASP 110 CO 0.00 0.00 0.18 0.18 -2.04 0.00 0.00 179.24 177.56 2yu9 n LEU 111 N -2.57 2.07 -3.65 0.15 4.32 -1.25 -4.78 117.00 111.29 2yu9 n LEU 111 Ca 0.01 1.18 -0.15 0.00 -0.02 0.00 0.00 56.01 57.03 2yu9 n LEU 111 Cb 0.25 -1.32 -0.08 0.00 -1.62 0.00 0.00 43.42 40.66 2yu9 n LEU 111 CO 0.22 -1.27 0.22 -0.51 -1.22 0.00 0.00 177.39 174.83 2yu9 s ILE 112 N -1.07 0.03 -0.07 -0.08 2.07 -0.93 -3.31 121.20 117.83 2yu9 s ILE 112 Ca 0.58 -0.23 -0.03 0.00 -1.41 0.00 0.00 60.65 59.57 2yu9 s ILE 112 Cb -0.68 -0.79 0.04 0.00 0.13 0.00 0.00 42.46 41.17 2yu9 s ILE 112 CO 0.60 -0.12 0.14 0.00 -1.91 0.00 0.00 174.94 173.64 2yu9 s ALA 113 N -1.12 -0.12 -0.08 1.50 0.00 -0.73 -1.44 121.76 119.78 2yu9 s ALA 113 Ca -0.11 0.52 -0.06 0.00 0.00 0.00 0.00 51.96 52.31 2yu9 s ALA 113 Cb -0.03 -0.67 -0.04 0.00 0.00 0.00 0.00 23.12 22.38 2yu9 s ALA 113 CO 0.06 -0.43 0.16 0.14 0.00 0.00 0.00 175.76 175.69 2yu9 s VAL 114 N 1.95 5.47 -0.16 0.00 -7.23 0.25 -2.42 120.40 118.25 2yu9 s VAL 114 Ca -0.00 0.10 -0.04 0.00 -1.81 0.00 0.00 61.98 60.24 2yu9 s VAL 114 Cb -0.12 -3.46 -0.03 0.00 0.56 0.00 0.00 36.38 33.34 2yu9 s VAL 114 CO -0.05 0.52 -0.04 -0.31 -0.31 0.00 0.00 175.10 174.91 2yu9 s TYR 115 N -1.13 3.01 -0.01 2.82 1.51 -1.19 -0.96 117.35 121.40 2yu9 s TYR 115 Ca 0.20 -0.37 0.08 0.00 -1.01 0.00 0.00 57.07 55.96 2yu9 s TYR 115 Cb -0.12 -1.98 -0.02 0.00 -0.11 0.00 0.00 41.96 39.73 2yu9 s TYR 115 CO 0.09 -0.10 -0.26 0.71 -1.11 0.00 0.00 175.55 174.89 2yu9 s TYR 116 N 0.51 2.29 -0.15 2.71 1.51 0.33 -1.19 117.35 123.36 2yu9 s TYR 116 Ca -0.03 -0.43 0.02 0.00 -1.01 0.00 0.00 57.07 55.62 2yu9 s TYR 116 Cb -0.14 -1.45 0.01 0.00 -0.11 0.00 0.00 41.96 40.27 2yu9 s TYR 116 CO 0.03 -0.01 -0.21 0.45 -1.11 0.00 0.00 175.55 174.70 2yu9 s SER 117 N -0.72 3.08 -0.51 2.29 0.15 0.71 0.88 113.70 119.59 2yu9 s SER 117 Ca 0.10 -0.61 -0.03 0.00 0.70 0.00 0.00 55.95 56.11 2yu9 s SER 117 Cb -0.10 -1.43 0.13 0.00 -1.71 0.00 0.00 66.02 62.91 2yu9 s SER 117 CO -0.00 0.06 0.32 -0.36 1.20 0.00 0.00 173.24 174.45 2yu9 s PHE 118 N 0.95 3.50 -1.72 3.44 0.40 0.24 0.38 117.98 125.17 2yu9 s PHE 118 Ca -0.04 -2.53 -0.17 0.00 -0.60 0.00 0.00 56.93 53.59 2yu9 s PHE 118 Cb -0.15 -3.23 0.15 0.00 0.51 0.00 0.00 43.02 40.31 2yu9 s PHE 118 CO -0.05 -0.91 0.63 0.41 0.70 0.00 0.00 175.22 176.00 2yu9 n GLY 119 N 4.10 -0.38 0.24 4.36 0.00 -1.26 -0.13 105.19 112.11 2yu9 n GLY 119 Ca 0.02 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2yu9 n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yu9 n GLY 120 N -1.46 3.20 3.66 -0.02 0.00 -1.26 -5.02 105.19 104.29 2yu9 n GLY 120 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 2yu9 n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2yu9 s LEU 121 N 0.00 4.15 0.17 0.99 1.43 0.81 -5.01 118.68 121.22 2yu9 s LEU 121 Ca 0.00 1.57 0.04 0.00 -1.03 0.00 0.00 54.13 54.71 2yu9 s LEU 121 Cb 0.00 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.64 2yu9 s LEU 121 CO 0.00 -0.71 0.24 -0.76 0.23 0.00 0.00 176.35 175.35 2yu9 s LEU 122 N 3.31 4.14 -0.04 1.79 1.43 -1.26 0.83 118.68 128.88 2yu9 s LEU 122 Ca 0.50 0.04 -0.02 0.00 -1.03 0.00 0.00 54.13 53.63 2yu9 s LEU 122 Cb -0.19 -2.72 0.03 0.00 0.03 0.00 0.00 46.19 43.34 2yu9 s LEU 122 CO 0.12 0.04 0.05 -0.32 0.23 0.00 0.00 176.35 176.47 2yu9 s MET 123 N -3.32 -0.02 -0.48 1.70 1.75 0.26 -1.45 119.30 117.73 2yu9 s MET 123 Ca 0.33 0.36 -0.04 0.00 -1.25 0.00 0.00 55.69 55.09 2yu9 s MET 123 Cb -0.10 -0.55 0.13 0.00 2.84 0.00 0.00 34.83 37.15 2yu9 s MET 123 CO 0.27 -0.33 0.29 0.50 -0.65 0.00 0.00 175.02 175.10 2yu9 s ARG 124 N 2.14 2.23 -0.15 4.11 3.52 0.64 0.12 118.95 131.57 2yu9 s ARG 124 Ca 0.05 -2.04 -0.10 0.00 -0.13 0.00 0.00 55.73 53.51 2yu9 s ARG 124 Cb -0.12 -3.67 -0.05 0.00 -1.56 0.00 0.00 34.95 29.55 2yu9 s ARG 124 CO -0.03 -1.12 0.18 -1.17 -0.81 0.00 0.00 175.30 172.35 2yu9 s LEU 125 N 0.79 4.30 -0.00 -0.88 2.96 -0.13 -1.34 118.68 124.38 2yu9 s LEU 125 Ca 0.11 0.42 0.03 0.00 -0.22 0.00 0.00 54.13 54.47 2yu9 s LEU 125 Cb -0.22 -2.17 -0.01 0.00 0.50 0.00 0.00 46.19 44.29 2yu9 s LEU 125 CO -0.04 0.26 -0.10 -0.70 -1.32 0.00 0.00 176.35 174.45 2yu9 s GLU 126 N -0.23 0.83 0.00 1.98 2.12 -0.03 -0.58 118.70 122.79 2yu9 s GLU 126 Ca 0.13 -0.40 0.00 0.00 0.36 0.00 0.00 54.97 55.06 2yu9 s GLU 126 Cb -0.12 -0.80 0.00 0.00 0.26 0.00 0.00 34.13 33.46 2yu9 s GLU 126 CO 0.02 0.22 0.00 0.41 -0.54 0.00 0.00 175.26 175.37 2yu9 n GLY 127 N 2.74 1.62 0.00 -1.50 0.00 -0.52 -2.46 105.19 105.07 2yu9 n GLY 127 Ca -0.14 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2yu9 n GLY 127 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2yu9 n ASN 128 N 0.00 0.00 -1.45 1.61 5.15 -1.26 -2.19 115.26 117.11 2yu9 n ASN 128 Ca 0.00 0.00 -0.08 0.00 -0.60 0.00 0.00 54.58 53.90 2yu9 n ASN 128 Cb 0.00 0.00 0.10 0.00 -0.53 0.00 0.00 39.78 39.35 2yu9 n ASN 128 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2yu9 n TYR 129 N -1.14 1.26 0.93 1.20 0.18 -1.26 -3.40 117.16 114.93 2yu9 n TYR 129 Ca 0.00 -0.94 0.10 0.00 1.88 0.00 0.00 57.90 58.95 2yu9 n TYR 129 Cb 0.00 -0.50 0.51 0.00 -0.38 0.00 0.00 39.34 38.97 2yu9 n TYR 129 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 2yu9 n ARG 130 N -0.12 0.24 0.00 -3.48 3.00 -1.26 -4.83 116.66 110.21 2yu9 n ARG 130 Ca 0.23 0.10 0.00 0.00 -0.01 0.00 0.00 57.85 58.17 2yu9 n ARG 130 Cb 0.95 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.91 2yu9 n ARG 130 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2yu9 n ASN 131 N -1.33 0.00 -3.52 0.55 4.13 -1.22 -2.72 115.26 111.15 2yu9 n ASN 131 Ca 0.09 0.00 -0.39 0.00 1.68 0.00 0.00 54.58 55.96 2yu9 n ASN 131 Cb 0.18 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.40 2yu9 n ASN 131 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2yu9 n LEU 132 N 0.00 6.48 0.09 3.41 4.77 -1.26 -4.24 117.00 126.25 2yu9 n LEU 132 Ca 0.00 -3.75 0.00 0.00 -0.03 0.00 0.00 56.01 52.23 2yu9 n LEU 132 Cb 0.00 -1.44 0.00 0.00 -2.33 0.00 0.00 43.42 39.65 2yu9 n LEU 132 CO 0.00 0.97 0.00 0.59 -1.33 0.00 0.00 177.39 177.62 2yu9 n ASN 133 N 5.48 -0.67 -2.38 -1.43 3.02 -1.10 -5.02 115.26 113.16 2yu9 n ASN 133 Ca 0.57 0.30 -0.32 0.00 -0.03 0.00 0.00 54.58 55.11 2yu9 n ASN 133 Cb 0.32 0.78 0.05 0.00 -0.61 0.00 0.00 39.78 40.32 2yu9 n ASN 133 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2yu9 n ASN 134 N -2.98 7.35 -4.51 6.41 4.13 -1.24 -4.99 115.26 119.44 2yu9 n ASN 134 Ca 0.00 -3.62 -0.39 0.00 1.68 0.00 0.00 54.58 52.25 2yu9 n ASN 134 Cb 0.00 -1.03 0.03 0.00 -1.54 0.00 0.00 39.78 37.24 2yu9 n ASN 134 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2yu9 n LEU 135 N -0.47 1.36 0.00 3.41 4.77 -1.26 -4.66 117.00 120.15 2yu9 n LEU 135 Ca 0.54 0.82 0.00 0.00 -0.03 0.00 0.00 56.01 57.34 2yu9 n LEU 135 Cb 0.55 -1.22 0.00 0.00 -2.33 0.00 0.00 43.42 40.42 2yu9 n LEU 135 CO 0.63 -2.60 0.06 0.29 -1.33 0.00 0.00 177.39 174.44 2yu9 n LYS 136 N -0.05 0.00 -0.98 3.23 5.02 -1.26 -4.76 118.16 119.36 2yu9 n LYS 136 Ca 0.12 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 56.07 2yu9 n LYS 136 Cb 0.45 -1.27 -0.10 0.00 -0.02 0.00 0.00 35.03 34.09 2yu9 n LYS 136 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2yu9 n GLN 137 N -0.49 0.00 0.00 1.97 6.02 -1.26 -4.64 117.38 118.98 2yu9 n GLN 137 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2yu9 n GLN 137 Cb 0.00 -1.04 0.00 0.00 1.02 0.00 0.00 30.24 30.22 2yu9 n GLN 137 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2yu9 n GLU 138 N 5.64 0.00 0.00 -1.09 2.13 -1.26 -4.09 120.64 121.97 2yu9 n GLU 138 Ca 0.43 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.25 2yu9 n GLU 138 Cb 0.00 -0.96 0.00 0.00 0.27 0.00 0.00 31.44 30.75 2yu9 n GLU 138 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2yu9 n ASN 139 N 0.50 0.00 -1.77 4.31 3.02 -1.26 -4.82 115.26 115.24 2yu9 n ASN 139 Ca 0.00 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.54 2yu9 n ASN 139 Cb 0.00 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.16 2yu9 n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2yu9 n ALA 140 N -3.00 -2.94 -2.79 5.41 0.00 -1.25 -4.26 120.51 111.68 2yu9 n ALA 140 Ca 0.00 0.64 -0.36 0.00 0.00 0.00 0.00 53.44 53.71 2yu9 n ALA 140 Cb 0.00 -1.35 -0.07 0.00 0.00 0.00 0.00 19.45 18.03 2yu9 n ALA 140 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2yu9 s TYR 141 N -0.27 3.55 -0.12 0.00 1.51 -1.14 -2.38 117.35 118.50 2yu9 s TYR 141 Ca -0.06 0.52 -0.07 0.00 -1.01 0.00 0.00 57.07 56.45 2yu9 s TYR 141 Cb 0.00 -2.06 -0.04 0.00 -0.11 0.00 0.00 41.96 39.75 2yu9 s TYR 141 CO 0.17 0.57 0.13 -1.17 -1.11 0.00 0.00 175.55 174.13 2yu9 s LEU 142 N -0.52 4.32 0.00 -1.29 2.96 0.26 -2.78 118.68 121.64 2yu9 s LEU 142 Ca 0.14 0.44 0.01 0.00 -0.22 0.00 0.00 54.13 54.50 2yu9 s LEU 142 Cb -0.12 -2.05 -0.00 0.00 0.50 0.00 0.00 46.19 44.51 2yu9 s LEU 142 CO 0.03 0.40 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.67 2yu9 s LEU 143 N -1.00 2.02 -0.01 -0.68 1.02 -0.78 -0.54 118.68 118.72 2yu9 s LEU 143 Ca 0.15 -0.09 0.01 0.00 0.02 0.00 0.00 54.13 54.22 2yu9 s LEU 143 Cb -0.12 -0.15 0.00 0.00 0.02 0.00 0.00 46.19 45.94 2yu9 s LEU 143 CO 0.04 0.02 -0.04 -0.63 0.02 0.00 0.00 176.35 175.76 2yu9 s ILE 144 N -0.17 0.31 0.19 -0.59 1.01 0.11 -1.20 121.20 120.87 2yu9 s ILE 144 Ca 0.00 -0.14 0.05 0.00 0.00 0.00 0.00 60.65 60.56 2yu9 s ILE 144 Cb -0.02 -0.28 -0.05 0.00 0.01 0.00 0.00 42.46 42.13 2yu9 s ILE 144 CO -0.00 0.10 -0.06 0.00 0.00 0.00 0.00 174.94 174.97 2yu9 s ARG 145 N 0.05 1.23 0.00 2.79 1.70 -0.89 -1.23 118.95 122.59 2yu9 s ARG 145 Ca -0.00 -1.57 0.00 0.00 -0.47 0.00 0.00 55.73 53.69 2yu9 s ARG 145 Cb -0.03 -0.70 0.00 0.00 -0.57 0.00 0.00 34.95 33.65 2yu9 s ARG 145 CO -0.00 0.02 0.00 0.54 -1.08 0.00 0.00 175.30 174.77