#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yxt s GLU 4 N 0.00 4.54 -0.38 5.31 -1.05 -1.26 -5.05 118.70 120.81 2yxt s GLU 4 Ca 0.00 1.87 -0.07 0.00 -0.15 0.00 0.00 54.97 56.62 2yxt s GLU 4 Cb 0.00 -3.12 0.07 0.00 -0.44 0.00 0.00 34.13 30.64 2yxt s GLU 4 CO 0.00 0.10 0.18 0.00 0.95 0.00 0.00 175.26 176.50 2yxt s ARG 6 N 1.36 4.34 -0.14 0.00 0.52 -1.26 -1.30 118.95 122.48 2yxt s ARG 6 Ca 0.02 0.58 0.02 0.00 -0.52 0.00 0.00 55.73 55.83 2yxt s ARG 6 Cb -0.22 -3.42 0.01 0.00 0.52 0.00 0.00 34.95 31.85 2yxt s ARG 6 CO 0.01 0.19 -0.21 0.08 0.02 0.00 0.00 175.30 175.38 2yxt s VAL 7 N 0.49 2.11 -0.34 3.52 1.01 -0.46 -0.87 120.40 125.85 2yxt s VAL 7 Ca 0.29 -0.96 -0.14 0.00 0.00 0.00 0.00 61.98 61.17 2yxt s VAL 7 Cb -0.16 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.36 2yxt s VAL 7 CO 0.13 0.55 0.30 -0.22 0.00 0.00 0.00 175.10 175.85 2yxt s LEU 8 N 0.82 4.52 -0.21 3.92 2.96 -0.09 -0.27 118.68 130.31 2yxt s LEU 8 Ca -0.07 -0.37 -0.01 0.00 -0.22 0.00 0.00 54.13 53.47 2yxt s LEU 8 Cb -0.15 -2.23 0.02 0.00 0.50 0.00 0.00 46.19 44.33 2yxt s LEU 8 CO -0.02 -0.29 -0.12 -0.55 -1.32 0.00 0.00 176.35 174.05 2yxt s SER 9 N 1.73 3.84 -0.42 3.68 0.15 0.62 0.31 113.70 123.61 2yxt s SER 9 Ca 0.08 -0.70 -0.05 0.00 0.70 0.00 0.00 55.95 55.98 2yxt s SER 9 Cb -0.17 -1.60 0.11 0.00 -1.71 0.00 0.00 66.02 62.65 2yxt s SER 9 CO 0.11 -0.05 0.24 -0.63 1.20 0.00 0.00 173.24 174.11 2yxt s ILE 10 N 1.33 3.65 0.26 6.45 1.01 -0.61 -0.14 121.20 133.15 2yxt s ILE 10 Ca 0.03 -1.88 -0.16 0.00 0.00 0.00 0.00 60.65 58.63 2yxt s ILE 10 Cb -0.15 -3.43 0.01 0.00 0.01 0.00 0.00 42.46 38.90 2yxt s ILE 10 CO -0.08 -0.68 0.58 -1.10 0.00 0.00 0.00 174.94 173.67 2yxt s GLN 11 N 1.24 1.63 0.69 2.79 -0.21 -0.95 -4.20 119.66 120.65 2yxt s GLN 11 Ca 0.06 -1.12 -0.16 0.00 0.02 0.00 0.00 55.36 54.16 2yxt s GLN 11 Cb -0.24 0.53 -0.01 0.00 1.00 0.00 0.00 33.01 34.29 2yxt s GLN 11 CO -0.02 -0.71 0.90 0.43 -2.12 0.00 0.00 175.29 173.76 2yxt n SER 12 N -0.41 0.29 -4.13 5.90 7.64 -1.26 -1.28 113.62 120.36 2yxt n SER 12 Ca -0.03 0.69 -0.24 0.00 1.01 0.00 0.00 58.87 60.30 2yxt n SER 12 Cb 0.61 -1.37 -0.15 0.00 -1.01 0.00 0.00 64.21 62.28 2yxt n SER 12 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2yxt s HIS 13 N -1.76 1.42 0.10 1.43 2.46 0.00 -1.41 115.29 117.53 2yxt s HIS 13 Ca 0.73 -0.28 0.07 0.00 0.47 0.00 0.00 55.06 56.05 2yxt s HIS 13 Cb -0.36 -0.92 -0.03 0.00 -0.13 0.00 0.00 32.58 31.13 2yxt s HIS 13 CO 0.50 -0.04 -0.18 0.14 -2.47 0.00 0.00 174.74 172.69 2yxt s VAL 14 N -0.32 1.52 -0.01 0.89 -7.23 -1.26 -1.68 120.40 112.32 2yxt s VAL 14 Ca 0.05 -1.50 -0.08 0.00 -1.81 0.00 0.00 61.98 58.64 2yxt s VAL 14 Cb -0.07 -1.42 -0.05 0.00 0.56 0.00 0.00 36.38 35.40 2yxt s VAL 14 CO -0.00 -0.14 0.60 0.40 -0.31 0.00 0.00 175.10 175.65 2yxt h ILE 15 N 4.07 0.00 -3.14 -0.62 1.08 -1.05 -3.44 117.51 114.40 2yxt h ILE 15 Ca -0.44 -0.24 -0.59 0.00 -0.39 0.00 0.00 64.86 63.20 2yxt h ILE 15 Cb 1.19 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.88 2yxt h ILE 15 CO 0.41 0.00 -0.14 -0.60 -0.69 0.00 0.00 178.15 177.13 2yxt s ARG 16 N -2.74 4.09 0.00 2.37 6.06 -0.31 -5.01 118.95 123.41 2yxt s ARG 16 Ca -0.04 0.51 0.00 0.00 -2.50 0.00 0.00 55.73 53.70 2yxt s ARG 16 Cb 0.00 -3.27 0.00 0.00 0.06 0.00 0.00 34.95 31.74 2yxt s ARG 16 CO 0.13 0.56 0.00 0.41 -2.50 0.00 0.00 175.30 173.90 2yxt n GLY 17 N 2.11 0.16 2.73 8.12 0.00 -1.26 -4.39 105.19 112.66 2yxt n GLY 17 Ca -0.11 -1.99 -0.29 0.00 0.00 0.00 0.00 46.02 43.62 2yxt n GLY 17 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2yxt s TYR 18 N -1.12 1.53 0.14 1.61 1.51 -1.26 -4.86 117.35 114.89 2yxt s TYR 18 Ca 0.00 -1.54 -0.14 0.00 -1.01 0.00 0.00 57.07 54.39 2yxt s TYR 18 Cb 0.00 -1.54 0.02 0.00 -0.11 0.00 0.00 41.96 40.33 2yxt s TYR 18 CO 0.00 -0.83 0.36 0.14 -1.11 0.00 0.00 175.55 174.12 2yxt s VAL 19 N 1.68 0.07 0.00 0.71 -7.23 -1.26 -4.27 120.40 110.11 2yxt s VAL 19 Ca 0.07 -0.88 0.00 0.00 -1.81 0.00 0.00 61.98 59.36 2yxt s VAL 19 Cb -0.17 -1.40 0.00 0.00 0.56 0.00 0.00 36.38 35.36 2yxt s VAL 19 CO -0.23 -0.34 0.00 0.61 -0.31 0.00 0.00 175.10 174.84 2yxt n GLY 20 N -0.21 2.26 0.42 2.32 0.00 -1.26 -2.03 105.19 106.69 2yxt n GLY 20 Ca -0.13 -0.43 0.24 0.00 0.00 0.00 0.00 46.02 45.69 2yxt n GLY 20 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2yxt h ASN 21 N 8.70 0.00 0.01 1.61 2.35 -1.45 -0.82 115.58 125.98 2yxt h ASN 21 Ca 0.00 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.60 2yxt h ASN 21 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 2yxt h ASN 21 CO 0.00 0.00 -0.49 0.03 -1.65 0.00 0.00 177.43 175.32 2yxt h ARG 22 N 0.00 0.55 0.00 0.81 3.08 -1.56 -0.16 114.38 117.10 2yxt h ARG 22 Ca 0.31 -0.32 -0.10 0.00 0.07 0.00 0.00 59.98 59.93 2yxt h ARG 22 Cb 1.31 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.37 2yxt h ARG 22 CO -0.00 0.92 -0.73 0.00 -1.07 0.00 0.00 179.97 179.08 2yxt h ALA 23 N 1.03 0.68 0.09 0.04 0.00 -1.10 -3.37 119.26 116.63 2yxt h ALA 23 Ca 0.02 -0.48 -0.32 0.00 0.00 0.00 0.00 54.91 54.13 2yxt h ALA 23 Cb 1.01 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 2yxt h ALA 23 CO 0.09 0.60 -1.72 0.00 0.00 0.00 0.00 179.25 178.23 2yxt h ALA 24 N 1.56 0.45 0.41 0.00 0.00 -1.22 -3.42 119.26 117.03 2yxt h ALA 24 Ca -0.04 -1.29 -0.02 0.00 0.00 0.00 0.00 54.91 53.56 2yxt h ALA 24 Cb 1.38 0.47 0.00 0.00 0.00 0.00 0.00 17.79 19.64 2yxt h ALA 24 CO 0.05 1.31 -0.20 1.15 0.00 0.00 0.00 179.25 181.56 2yxt h THR 25 N 0.05 0.00 -0.62 0.00 2.02 -1.18 -2.96 112.91 110.22 2yxt h THR 25 Ca -0.31 -0.39 0.12 0.00 0.77 0.00 0.00 66.41 66.60 2yxt h THR 25 Cb 2.02 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 68.31 2yxt h THR 25 CO 0.12 0.00 -0.19 0.15 0.37 0.00 0.00 175.52 175.96 2yxt h PHE 26 N -0.94 -0.45 -0.49 3.16 3.57 -1.81 -0.50 116.94 119.47 2yxt h PHE 26 Ca -0.06 0.06 0.04 0.00 3.53 0.00 0.00 57.97 61.55 2yxt h PHE 26 Cb 0.42 0.30 -0.04 0.00 2.79 0.00 0.00 35.95 39.41 2yxt h PHE 26 CO 0.02 -0.30 0.25 -1.35 -2.23 0.00 0.00 178.31 174.70 2yxt h PRO 27 N -0.04 0.47 -0.14 6.41 0.11 -1.81 0.28 132.00 137.27 2yxt h PRO 27 Ca 0.29 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 66.28 2yxt h PRO 27 Cb 0.49 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 2yxt h PRO 27 CO -0.66 0.31 -0.31 -0.07 -0.21 0.00 0.00 178.00 177.07 2yxt h LEU 28 N 0.48 0.28 -0.26 2.35 3.38 -1.21 -1.84 115.31 118.50 2yxt h LEU 28 Ca 0.22 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 2yxt h LEU 28 Cb 0.13 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 2yxt h LEU 28 CO -0.15 0.58 -0.26 1.56 0.09 0.00 0.00 178.44 180.26 2yxt h GLN 29 N 0.24 0.64 -0.74 1.13 4.20 -0.37 -1.60 115.11 118.60 2yxt h GLN 29 Ca 0.03 -0.34 0.13 0.00 0.06 0.00 0.00 58.65 58.53 2yxt h GLN 29 Cb 0.67 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.41 2yxt h GLN 29 CO 0.05 0.94 0.49 0.28 -0.67 0.00 0.00 178.83 179.92 2yxt h VAL 30 N 0.36 0.85 -0.17 -0.54 2.07 -0.14 -0.33 116.25 118.36 2yxt h VAL 30 Ca 0.04 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.39 2yxt h VAL 30 Cb 0.82 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2yxt h VAL 30 CO 0.06 0.09 0.00 0.18 0.02 0.00 0.00 177.57 177.93 2yxt n LEU 31 N -4.49 1.33 0.00 2.57 4.77 -0.72 -4.91 117.00 115.55 2yxt n LEU 31 Ca 0.13 -0.59 0.00 0.00 -0.03 0.00 0.00 56.01 55.52 2yxt n LEU 31 Cb 0.44 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 2yxt n LEU 31 CO 0.33 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 2yxt n GLY 32 N 1.02 0.78 3.79 -0.72 0.00 -0.13 -5.06 105.19 104.86 2yxt n GLY 32 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 2yxt n GLY 32 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2yxt s PHE 33 N -2.18 3.84 -1.17 1.61 0.40 -0.65 -4.69 117.98 115.14 2yxt s PHE 33 Ca 0.00 1.53 -0.18 0.00 -0.60 0.00 0.00 56.93 57.68 2yxt s PHE 33 Cb 0.00 -2.70 0.10 0.00 0.51 0.00 0.00 43.02 40.93 2yxt s PHE 33 CO 0.00 0.49 1.53 -1.21 0.70 0.00 0.00 175.22 176.73 2yxt s GLU 34 N -1.31 3.88 -0.21 0.44 0.41 -0.42 -4.38 118.70 117.12 2yxt s GLU 34 Ca 0.36 -1.92 -0.16 0.00 -0.41 0.00 0.00 54.97 52.84 2yxt s GLU 34 Cb -0.21 -5.31 -0.04 0.00 -1.78 0.00 0.00 34.13 26.79 2yxt s GLU 34 CO 0.24 -2.07 0.42 -1.50 -0.49 0.00 0.00 175.26 171.86 2yxt s ILE 35 N 3.57 5.18 -0.20 -1.63 2.07 -1.26 -1.35 121.20 127.58 2yxt s ILE 35 Ca 0.47 0.74 -0.10 0.00 -1.41 0.00 0.00 60.65 60.35 2yxt s ILE 35 Cb 0.00 -3.75 -0.05 0.00 0.13 0.00 0.00 42.46 38.80 2yxt s ILE 35 CO 0.00 0.23 0.14 -1.81 -1.91 0.00 0.00 174.94 171.58 2yxt s ASP 36 N 1.12 6.21 -0.24 4.50 1.01 0.62 -4.94 116.67 124.96 2yxt s ASP 36 Ca 0.20 0.23 -0.08 0.00 0.71 0.00 0.00 52.55 53.61 2yxt s ASP 36 Cb -0.15 -2.09 -0.03 0.00 1.01 0.00 0.00 42.92 41.66 2yxt s ASP 36 CO 0.08 0.17 0.08 0.00 0.21 0.00 0.00 175.17 175.72 2yxt s ALA 37 N 0.38 3.22 -0.31 5.23 0.00 -1.26 -0.27 121.76 128.75 2yxt s ALA 37 Ca 0.08 -1.08 -0.12 0.00 0.00 0.00 0.00 51.96 50.85 2yxt s ALA 37 Cb -0.11 -2.09 -0.03 0.00 0.00 0.00 0.00 23.12 20.89 2yxt s ALA 37 CO -0.02 -0.41 0.21 0.08 0.00 0.00 0.00 175.76 175.63 2yxt s VAL 38 N 1.47 5.26 -0.39 0.00 1.01 0.81 -4.96 120.40 123.59 2yxt s VAL 38 Ca 0.06 -0.02 -0.25 0.00 0.00 0.00 0.00 61.98 61.77 2yxt s VAL 38 Cb -0.15 -3.60 0.02 0.00 0.00 0.00 0.00 36.38 32.65 2yxt s VAL 38 CO 0.04 0.13 0.89 0.20 0.00 0.00 0.00 175.10 176.36 2yxt s ASN 39 N 1.74 6.60 0.40 3.32 0.01 -1.26 -2.24 114.94 123.50 2yxt s ASN 39 Ca 0.07 0.40 0.24 0.00 -0.71 0.00 0.00 52.86 52.85 2yxt s ASN 39 Cb -0.17 -2.44 0.41 0.00 0.41 0.00 0.00 41.25 39.46 2yxt s ASN 39 CO 0.11 -0.88 1.63 0.77 -1.51 0.00 0.00 177.10 177.22 2yxt h SER 40 N 8.64 0.00 -5.16 -1.22 4.64 -1.50 -3.43 113.55 115.52 2yxt h SER 40 Ca -0.24 -0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.00 2yxt h SER 40 Cb 1.08 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.04 2yxt h SER 40 CO 0.98 0.00 -0.28 0.68 -0.87 0.00 0.00 176.83 177.34 2yxt s VAL 41 N -3.19 0.11 -0.18 0.95 -7.23 -1.26 -0.55 120.40 109.03 2yxt s VAL 41 Ca 0.07 -1.07 -0.05 0.00 -1.81 0.00 0.00 61.98 59.13 2yxt s VAL 41 Cb 0.06 -1.42 0.06 0.00 0.56 0.00 0.00 36.38 35.65 2yxt s VAL 41 CO 0.66 -0.48 0.09 -1.58 -0.31 0.00 0.00 175.10 173.48 2yxt s GLN 42 N -3.87 0.12 0.29 4.82 0.74 -0.17 -0.82 119.66 120.77 2yxt s GLN 42 Ca 0.07 -0.15 0.07 0.00 0.05 0.00 0.00 55.36 55.41 2yxt s GLN 42 Cb 0.04 -1.80 -0.06 0.00 1.10 0.00 0.00 33.01 32.29 2yxt s GLN 42 CO -0.09 -0.70 -0.07 -0.06 -0.55 0.00 0.00 175.29 173.82 2yxt s PHE 43 N 2.11 2.05 0.33 1.67 0.40 -0.67 -0.89 117.98 122.97 2yxt s PHE 43 Ca 0.02 -0.64 0.08 0.00 -0.60 0.00 0.00 56.93 55.80 2yxt s PHE 43 Cb -0.16 -1.16 0.56 0.00 0.51 0.00 0.00 43.02 42.77 2yxt s PHE 43 CO -0.11 0.36 1.76 0.66 0.70 0.00 0.00 175.22 178.59 2yxt h SER 44 N 2.23 0.19 -5.56 1.36 4.64 -0.87 -0.54 113.55 115.00 2yxt h SER 44 Ca -0.40 -0.07 0.23 0.00 -0.47 0.00 0.00 61.79 61.07 2yxt h SER 44 Cb 1.24 -0.05 -0.05 0.00 -0.31 0.00 0.00 62.40 63.23 2yxt h SER 44 CO 0.67 0.54 0.70 0.54 -0.87 0.00 0.00 176.83 178.41 2yxt s ASN 45 N -6.89 -0.00 0.64 4.97 2.20 -1.26 -1.17 114.94 113.44 2yxt s ASN 45 Ca -0.04 -0.49 -0.12 0.00 -0.94 0.00 0.00 52.86 51.26 2yxt s ASN 45 Cb 0.14 0.37 -0.02 0.00 -2.00 0.00 0.00 41.25 39.74 2yxt s ASN 45 CO 0.76 -0.73 1.04 -1.38 -2.94 0.00 0.00 177.10 173.84 2yxt s HIS 46 N -2.15 3.30 -2.00 1.54 -3.43 -1.26 -4.87 115.29 106.42 2yxt s HIS 46 Ca 0.24 1.40 0.06 0.00 -0.80 0.00 0.00 55.06 55.95 2yxt s HIS 46 Cb -0.02 -2.84 0.36 0.00 -1.43 0.00 0.00 32.58 28.66 2yxt s HIS 46 CO 0.03 -0.95 0.83 0.25 -2.00 0.00 0.00 174.74 172.90 2yxt n THR 47 N -2.71 0.00 1.49 -5.38 -2.24 -1.26 -2.27 114.28 101.91 2yxt n THR 47 Ca 0.07 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.99 2yxt n THR 47 Cb 0.54 -0.44 0.54 0.00 -2.10 0.00 0.00 70.33 68.87 2yxt n THR 47 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2yxt n GLY 48 N 0.00 -0.29 3.91 3.38 0.00 -1.26 -4.86 105.19 106.07 2yxt n GLY 48 Ca 0.05 -0.40 -0.27 0.00 0.00 0.00 0.00 46.02 45.40 2yxt n GLY 48 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2yxt s TYR 49 N -2.14 3.51 0.41 1.61 1.51 -0.96 -4.89 117.35 116.41 2yxt s TYR 49 Ca 0.36 0.77 0.11 0.00 -1.01 0.00 0.00 57.07 57.30 2yxt s TYR 49 Cb 0.21 -2.36 0.95 0.00 -0.11 0.00 0.00 41.96 40.64 2yxt s TYR 49 CO 0.39 -0.35 1.98 0.00 -1.11 0.00 0.00 175.55 176.45 2yxt h ALA 50 N 0.18 1.91 -2.56 3.71 0.00 -1.90 -3.43 119.26 117.18 2yxt h ALA 50 Ca -0.47 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.14 2yxt h ALA 50 Cb 1.21 -0.12 -0.17 0.00 0.00 0.00 0.00 17.79 18.72 2yxt h ALA 50 CO 0.61 -0.04 -0.72 -1.01 0.00 0.00 0.00 179.25 178.09 2yxt s HIS 51 N -5.47 1.02 -0.22 0.00 3.76 -1.26 -5.15 115.29 107.97 2yxt s HIS 51 Ca -0.08 -0.72 -0.28 0.00 -0.15 0.00 0.00 55.06 53.83 2yxt s HIS 51 Cb 0.19 -0.56 0.13 0.00 1.11 0.00 0.00 32.58 33.45 2yxt s HIS 51 CO 0.75 -0.03 1.05 1.67 -0.85 0.00 0.00 174.74 177.34 2yxt s TRP 52 N -2.80 -0.38 0.06 1.40 1.48 -1.26 -4.85 118.94 112.59 2yxt s TRP 52 Ca 0.08 0.80 -0.08 0.00 -1.06 0.00 0.00 56.10 55.84 2yxt s TRP 52 Cb -0.00 0.42 -0.01 0.00 -1.16 0.00 0.00 33.47 32.72 2yxt s TRP 52 CO -0.01 -0.26 0.15 0.15 -4.06 0.00 0.00 176.95 172.92 2yxt s LYS 53 N -0.47 0.72 0.00 3.25 -0.14 -1.26 -5.00 119.74 116.84 2yxt s LYS 53 Ca 0.01 -0.83 0.00 0.00 -1.36 0.00 0.00 55.97 53.79 2yxt s LYS 53 Cb -0.03 0.29 0.00 0.00 -1.68 0.00 0.00 37.83 36.41 2yxt s LYS 53 CO -0.03 -0.21 0.00 0.41 -0.76 0.00 0.00 175.35 174.76 2yxt n GLY 54 N 0.36 -2.47 3.51 -3.33 0.00 -1.26 -0.14 105.19 101.87 2yxt n GLY 54 Ca -0.17 -1.25 -0.25 0.00 0.00 0.00 0.00 46.02 44.35 2yxt n GLY 54 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2yxt s GLN 55 N -1.97 1.75 0.18 1.61 1.11 -0.07 -4.95 119.66 117.31 2yxt s GLN 55 Ca 0.00 -1.89 0.08 0.00 0.01 0.00 0.00 55.36 53.57 2yxt s GLN 55 Cb 0.00 -1.62 -0.04 0.00 -1.01 0.00 0.00 33.01 30.34 2yxt s GLN 55 CO 0.00 0.15 -0.17 0.14 0.01 0.00 0.00 175.29 175.43 2yxt s VAL 56 N -2.67 1.78 -0.09 1.09 -7.23 -1.26 -1.00 120.40 111.02 2yxt s VAL 56 Ca 0.32 -2.04 -0.12 0.00 -1.81 0.00 0.00 61.98 58.33 2yxt s VAL 56 Cb 0.02 -1.92 -0.05 0.00 0.56 0.00 0.00 36.38 34.99 2yxt s VAL 56 CO 0.15 -0.43 0.30 -0.22 -0.31 0.00 0.00 175.10 174.59 2yxt s LEU 57 N -2.93 4.37 0.35 1.32 2.96 0.28 -4.94 118.68 120.09 2yxt s LEU 57 Ca 0.18 0.67 0.07 0.00 -0.22 0.00 0.00 54.13 54.84 2yxt s LEU 57 Cb -0.04 -2.38 -0.02 0.00 0.50 0.00 0.00 46.19 44.25 2yxt s LEU 57 CO 0.07 0.26 0.38 0.54 -1.32 0.00 0.00 176.35 176.28 2yxt s ASN 58 N -0.48 5.52 0.33 3.68 2.20 -1.26 -4.88 114.94 120.05 2yxt s ASN 58 Ca 0.19 -0.41 0.08 0.00 -0.94 0.00 0.00 52.86 51.77 2yxt s ASN 58 Cb -0.14 -0.99 0.78 0.00 -2.00 0.00 0.00 41.25 38.90 2yxt s ASN 58 CO 0.07 -0.44 1.83 0.77 -2.94 0.00 0.00 177.10 176.39 2yxt h SER 59 N 1.06 0.71 -0.36 3.54 4.64 -1.92 0.48 113.55 121.70 2yxt h SER 59 Ca -0.44 0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 60.93 2yxt h SER 59 Cb 1.26 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 63.25 2yxt h SER 59 CO 0.55 0.32 0.20 0.44 -0.87 0.00 0.00 176.83 177.47 2yxt h ASP 60 N 0.73 0.44 -0.17 4.97 3.32 -1.95 -0.40 116.42 123.37 2yxt h ASP 60 Ca 0.50 -0.08 -0.11 0.00 0.02 0.00 0.00 57.03 57.36 2yxt h ASP 60 Cb 0.81 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.23 2yxt h ASP 60 CO -0.27 0.40 -0.27 -0.33 -1.72 0.00 0.00 179.24 177.06 2yxt h GLU 61 N 0.45 0.64 -0.69 3.56 5.08 -1.56 -0.58 114.58 121.47 2yxt h GLU 61 Ca 0.13 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 2yxt h GLU 61 Cb 0.05 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 2yxt h GLU 61 CO -0.02 0.84 0.31 1.25 -1.00 0.00 0.00 179.01 180.39 2yxt h LEU 62 N 0.55 0.93 -0.87 1.33 5.85 -0.79 -1.67 115.31 120.66 2yxt h LEU 62 Ca 0.07 -0.15 -0.10 0.00 0.84 0.00 0.00 57.88 58.54 2yxt h LEU 62 Cb 0.75 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 2yxt h LEU 62 CO 0.06 0.82 -0.25 -0.61 -0.34 0.00 0.00 178.44 178.12 2yxt h GLN 63 N 0.98 0.55 -0.04 1.25 4.15 -0.61 -2.53 115.11 118.85 2yxt h GLN 63 Ca 0.24 -0.21 -0.00 0.00 0.77 0.00 0.00 58.65 59.44 2yxt h GLN 63 Cb 0.16 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 27.82 2yxt h GLN 63 CO -0.03 0.76 0.02 0.93 -1.93 0.00 0.00 178.83 178.58 2yxt h GLU 64 N 0.48 0.05 -0.53 1.69 5.08 -0.64 -0.57 114.58 120.15 2yxt h GLU 64 Ca 0.07 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 2yxt h GLU 64 Cb 0.70 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 2yxt h GLU 64 CO 0.05 0.08 0.23 -0.07 -1.00 0.00 0.00 179.01 178.31 2yxt h LEU 65 N 0.00 0.67 -0.52 1.33 3.38 -1.21 -1.36 115.31 117.60 2yxt h LEU 65 Ca 0.01 -0.07 -0.14 0.00 0.09 0.00 0.00 57.88 57.78 2yxt h LEU 65 Cb 0.05 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2yxt h LEU 65 CO -0.00 0.59 -0.26 0.22 0.09 0.00 0.00 178.44 179.08 2yxt h TYR 66 N 0.74 1.06 -0.87 1.13 3.20 -1.21 -2.51 116.97 118.52 2yxt h TYR 66 Ca 0.18 -0.27 0.09 0.00 3.14 0.00 0.00 58.73 61.87 2yxt h TYR 66 Cb 0.11 -0.24 -0.07 0.00 1.54 0.00 0.00 36.73 38.07 2yxt h TYR 66 CO 0.01 1.07 0.52 1.49 -1.64 0.00 0.00 178.16 179.61 2yxt h GLU 67 N 0.78 0.86 -0.52 1.82 4.57 -0.07 0.23 114.58 122.25 2yxt h GLU 67 Ca 0.09 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.18 2yxt h GLU 67 Cb 0.83 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 29.20 2yxt h GLU 67 CO 0.07 0.57 0.16 0.78 -1.18 0.00 0.00 179.01 179.41 2yxt h GLY 68 N 0.89 0.88 1.02 1.92 0.00 -0.95 0.17 103.07 106.99 2yxt h GLY 68 Ca 0.41 -0.52 -0.07 0.00 0.00 0.00 0.00 47.33 47.15 2yxt h GLY 68 CO -0.23 0.49 0.10 1.41 0.00 0.00 0.00 176.54 178.31 2yxt h LEU 69 N 0.72 0.89 0.50 3.11 3.38 -0.85 -2.68 115.31 120.38 2yxt h LEU 69 Ca 0.17 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 2yxt h LEU 69 Cb 0.28 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2yxt h LEU 69 CO -0.00 0.92 -0.24 -0.09 0.09 0.00 0.00 178.44 179.12 2yxt h ARG 70 N 0.83 -0.65 -0.48 1.13 2.43 -0.29 0.42 114.38 117.77 2yxt h ARG 70 Ca 0.17 0.04 0.14 0.00 -0.81 0.00 0.00 59.98 59.53 2yxt h ARG 70 Cb 0.40 0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 2yxt h ARG 70 CO 0.01 -0.41 0.44 -0.07 -1.51 0.00 0.00 179.97 178.43 2yxt h LEU 71 N -0.72 0.00 -2.31 3.80 3.38 -0.61 0.25 115.31 119.09 2yxt h LEU 71 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2yxt h LEU 71 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2yxt h LEU 71 CO 0.11 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.23 2yxt n ASN 72 N -3.93 3.44 -2.13 -0.43 3.02 -0.95 -4.91 115.26 109.37 2yxt n ASN 72 Ca 0.09 -1.98 -0.17 0.00 -0.03 0.00 0.00 54.58 52.48 2yxt n ASN 72 Cb 0.64 -0.28 0.00 0.00 -0.61 0.00 0.00 39.78 39.53 2yxt n ASN 72 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2yxt n ASN 73 N 1.45 -5.11 -1.52 6.41 4.05 0.86 -4.87 115.26 116.54 2yxt n ASN 73 Ca 0.20 -0.09 0.08 0.00 0.45 0.00 0.00 54.58 55.22 2yxt n ASN 73 Cb 0.59 -4.12 0.35 0.00 1.23 0.00 0.00 39.78 37.83 2yxt n ASN 73 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 177.26 174.44 2yxt n MET 74 N -2.90 4.06 -2.10 1.20 0.00 0.14 -4.66 117.12 112.86 2yxt n MET 74 Ca -0.17 -2.97 -0.40 0.00 0.00 0.00 0.00 57.70 54.16 2yxt n MET 74 Cb 0.64 -2.03 -0.00 0.00 0.00 0.00 0.00 33.22 31.82 2yxt n MET 74 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 2yxt n ASN 75 N 0.47 7.56 -3.68 7.83 6.94 -1.23 -4.81 115.26 128.35 2yxt n ASN 75 Ca 0.25 -3.17 -0.28 0.00 -0.02 0.00 0.00 54.58 51.35 2yxt n ASN 75 Cb 1.02 -1.36 -0.16 0.00 -2.36 0.00 0.00 39.78 36.91 2yxt n ASN 75 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2yxt s LYS 76 N -1.15 0.53 0.21 -3.83 1.02 -1.26 -4.90 119.74 110.35 2yxt s LYS 76 Ca 0.51 -0.61 0.09 0.00 0.02 0.00 0.00 55.97 55.98 2yxt s LYS 76 Cb 0.17 -1.86 -0.05 0.00 -0.52 0.00 0.00 37.83 35.57 2yxt s LYS 76 CO -0.08 -0.82 -0.17 0.71 -0.92 0.00 0.00 175.35 174.07 2yxt s TYR 77 N 1.86 1.90 -0.15 3.18 1.51 -1.26 -4.91 117.35 119.47 2yxt s TYR 77 Ca 0.04 -0.48 0.16 0.00 -1.01 0.00 0.00 57.07 55.79 2yxt s TYR 77 Cb -0.17 -0.89 -0.24 0.00 -0.11 0.00 0.00 41.96 40.55 2yxt s TYR 77 CO -0.19 0.43 0.26 -0.25 -1.11 0.00 0.00 175.55 174.69 2yxt n ASP 78 N -0.18 0.31 -4.08 2.29 8.00 -0.05 -4.62 116.55 118.21 2yxt n ASP 78 Ca -0.09 0.13 -0.10 0.00 0.71 0.00 0.00 54.79 55.44 2yxt n ASP 78 Cb 0.59 0.64 -0.11 0.00 -0.02 0.00 0.00 41.12 42.22 2yxt n ASP 78 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2yxt s TYR 79 N -2.52 0.63 -0.01 1.24 1.51 -0.74 -1.32 117.35 116.13 2yxt s TYR 79 Ca -0.09 -0.73 0.04 0.00 -1.01 0.00 0.00 57.07 55.28 2yxt s TYR 79 Cb 0.07 -0.39 -0.01 0.00 -0.11 0.00 0.00 41.96 41.52 2yxt s TYR 79 CO 0.83 -0.18 -0.12 0.08 -1.11 0.00 0.00 175.55 175.04 2yxt s VAL 80 N -2.52 0.98 -0.08 0.71 1.01 -0.73 -0.91 120.40 118.86 2yxt s VAL 80 Ca -0.02 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.45 2yxt s VAL 80 Cb -0.02 -0.82 0.02 0.00 0.00 0.00 0.00 36.38 35.55 2yxt s VAL 80 CO -0.03 0.28 -0.09 -0.22 0.00 0.00 0.00 175.10 175.03 2yxt s LEU 81 N -0.22 1.44 0.03 3.92 2.96 0.15 -0.75 118.68 126.21 2yxt s LEU 81 Ca 0.03 -0.27 -0.03 0.00 -0.22 0.00 0.00 54.13 53.65 2yxt s LEU 81 Cb -0.06 -0.76 -0.02 0.00 0.50 0.00 0.00 46.19 45.86 2yxt s LEU 81 CO -0.00 -0.03 0.02 0.42 -1.32 0.00 0.00 176.35 175.44 2yxt s THR 82 N 1.03 0.14 0.00 3.68 -4.23 -0.96 -1.58 115.64 113.73 2yxt s THR 82 Ca -0.08 -1.18 0.00 0.00 -1.18 0.00 0.00 61.69 59.25 2yxt s THR 82 Cb -0.15 -0.80 0.00 0.00 1.34 0.00 0.00 72.50 72.89 2yxt s THR 82 CO -0.00 -0.65 0.00 0.61 -0.54 0.00 0.00 174.62 174.03 2yxt n GLY 83 N 0.93 4.32 3.66 3.99 0.00 -1.26 -1.35 105.19 115.49 2yxt n GLY 83 Ca -0.20 -0.53 -0.49 0.00 0.00 0.00 0.00 46.02 44.80 2yxt n GLY 83 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2yxt n TYR 84 N 0.00 2.23 -4.87 1.61 9.36 -1.26 -4.48 117.16 119.75 2yxt n TYR 84 Ca 0.00 0.07 -0.25 0.00 3.32 0.00 0.00 57.90 61.03 2yxt n TYR 84 Cb 0.00 -2.64 -0.16 0.00 -0.63 0.00 0.00 39.34 35.92 2yxt n TYR 84 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 2yxt s THR 85 N 4.48 1.43 -1.16 2.97 2.01 -1.26 -4.64 115.64 119.46 2yxt s THR 85 Ca 0.95 -0.76 0.14 0.00 0.31 0.00 0.00 61.69 62.33 2yxt s THR 85 Cb -0.73 -1.20 -0.03 0.00 0.01 0.00 0.00 72.50 70.55 2yxt s THR 85 CO 0.53 0.41 0.74 -2.11 -0.69 0.00 0.00 174.62 173.49 2yxt n ARG 86 N 2.75 1.97 -3.76 4.92 -4.01 -1.26 -4.91 116.66 112.36 2yxt n ARG 86 Ca -0.16 -0.59 -0.13 0.00 -1.04 0.00 0.00 57.85 55.93 2yxt n ARG 86 Cb 0.54 -1.19 -0.11 0.00 -3.04 0.00 0.00 32.46 28.65 2yxt n ARG 86 CO 0.00 0.00 0.00 0.34 -3.04 0.00 0.00 177.63 174.93 2yxt s ASP 87 N -1.83 -0.34 0.17 2.89 -1.08 -1.26 -4.54 116.67 110.69 2yxt s ASP 87 Ca 0.10 0.64 -0.14 0.00 -0.52 0.00 0.00 52.55 52.63 2yxt s ASP 87 Cb 0.11 0.66 0.13 0.00 -1.46 0.00 0.00 42.92 42.36 2yxt s ASP 87 CO 0.39 -0.13 1.75 0.50 0.52 0.00 0.00 175.17 178.20 2yxt h LYS 88 N 5.55 0.30 -0.35 4.34 3.64 -1.95 0.01 116.57 128.11 2yxt h LYS 88 Ca -0.26 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.02 2yxt h LYS 88 Cb 1.19 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.92 2yxt h LYS 88 CO 0.30 0.20 -0.12 0.66 -2.27 0.00 0.00 179.45 178.22 2yxt h SER 89 N 0.31 0.59 0.44 4.20 4.64 -1.98 0.98 113.55 122.72 2yxt h SER 89 Ca 0.21 -0.16 -0.02 0.00 -0.47 0.00 0.00 61.79 61.34 2yxt h SER 89 Cb 0.21 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 2yxt h SER 89 CO -0.22 0.74 -0.21 0.15 -0.87 0.00 0.00 176.83 176.42 2yxt h PHE 90 N 0.55 -0.54 -0.83 4.77 3.57 -1.81 -1.48 116.94 121.17 2yxt h PHE 90 Ca 0.10 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.69 2yxt h PHE 90 Cb 0.54 0.18 -0.06 0.00 2.79 0.00 0.00 35.95 39.40 2yxt h PHE 90 CO 0.02 -0.29 0.54 1.25 -2.23 0.00 0.00 178.31 177.60 2yxt h LEU 91 N -0.68 0.68 -0.43 0.59 5.85 -0.79 -0.29 115.31 120.24 2yxt h LEU 91 Ca -0.06 0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.55 2yxt h LEU 91 Cb 0.50 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 2yxt h LEU 91 CO 0.10 0.39 -0.27 0.00 -0.34 0.00 0.00 178.44 178.32 2yxt h ALA 92 N 1.59 0.61 -0.62 1.25 0.00 -0.55 -1.90 119.26 119.64 2yxt h ALA 92 Ca 0.39 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2yxt h ALA 92 Cb 0.50 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2yxt h ALA 92 CO -0.16 0.63 0.34 1.98 0.00 0.00 0.00 179.25 182.04 2yxt h MET 93 N 0.77 0.86 -0.92 0.00 1.85 -0.40 -1.49 114.93 115.59 2yxt h MET 93 Ca 0.09 -0.10 0.08 0.00 -0.61 0.00 0.00 59.70 59.16 2yxt h MET 93 Cb 0.85 -0.17 -0.07 0.00 0.43 0.00 0.00 31.60 32.65 2yxt h MET 93 CO 0.07 0.65 0.60 0.28 -0.40 0.00 0.00 176.91 178.11 2yxt h VAL 94 N 0.84 1.01 -0.12 -5.77 2.07 -0.84 -1.36 116.25 112.08 2yxt h VAL 94 Ca 0.22 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 2yxt h VAL 94 Cb 0.04 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.75 2yxt h VAL 94 CO -0.04 0.18 0.05 0.58 0.02 0.00 0.00 177.57 178.36 2yxt h VAL 95 N 0.98 1.16 -0.50 2.57 2.07 -0.49 -0.85 116.25 121.19 2yxt h VAL 95 Ca 0.42 -0.47 0.08 0.00 0.82 0.00 0.00 66.70 67.54 2yxt h VAL 95 Cb 0.31 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 2yxt h VAL 95 CO -0.17 0.14 0.34 0.44 0.02 0.00 0.00 177.57 178.34 2yxt h ASP 96 N 0.04 0.31 -0.05 0.57 3.32 -0.63 -1.12 116.42 118.85 2yxt h ASP 96 Ca 0.04 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.01 2yxt h ASP 96 Cb 0.18 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.67 2yxt h ASP 96 CO -0.00 0.19 -0.28 0.40 -1.72 0.00 0.00 179.24 177.83 2yxt h ILE 97 N 0.35 1.45 -0.52 0.35 2.04 -0.81 -2.41 117.51 117.95 2yxt h ILE 97 Ca 0.23 -1.74 -0.01 0.00 1.00 0.00 0.00 64.86 64.34 2yxt h ILE 97 Cb 0.44 2.41 -0.02 0.00 -0.74 0.00 0.00 36.82 38.90 2yxt h ILE 97 CO -0.05 0.49 0.28 0.58 0.00 0.00 0.00 178.15 179.45 2yxt h VAL 98 N -0.24 1.18 -0.34 1.67 2.07 -0.94 0.33 116.25 119.98 2yxt h VAL 98 Ca -0.02 -0.48 0.07 0.00 0.82 0.00 0.00 66.70 67.09 2yxt h VAL 98 Cb 0.95 0.54 -0.08 0.00 -1.52 0.00 0.00 31.29 31.18 2yxt h VAL 98 CO 0.06 0.20 -0.26 -0.61 0.02 0.00 0.00 177.57 176.97 2yxt h GLN 99 N 0.70 -0.22 -0.44 1.57 4.15 -1.25 0.16 115.11 119.79 2yxt h GLN 99 Ca 0.18 0.01 -0.13 0.00 0.77 0.00 0.00 58.65 59.49 2yxt h GLN 99 Cb 0.07 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.79 2yxt h GLN 99 CO -0.03 -0.14 -0.23 1.49 -1.93 0.00 0.00 178.83 177.99 2yxt h GLU 100 N -0.22 0.90 -0.08 1.69 4.81 -1.09 -1.92 114.58 118.67 2yxt h GLU 100 Ca 0.17 -0.38 -0.03 0.00 -0.13 0.00 0.00 59.36 58.99 2yxt h GLU 100 Cb 0.49 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 2yxt h GLU 100 CO -0.47 1.03 -0.08 -0.07 -0.73 0.00 0.00 179.01 178.70 2yxt h LEU 101 N 0.78 0.11 -0.61 1.64 3.38 0.06 -0.53 115.31 120.13 2yxt h LEU 101 Ca 0.10 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 2yxt h LEU 101 Cb 0.78 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 2yxt h LEU 101 CO 0.06 0.21 -0.59 0.11 0.09 0.00 0.00 178.44 178.32 2yxt h LYS 102 N 0.12 0.00 -0.02 1.13 1.57 -0.22 0.19 116.57 119.33 2yxt h LYS 102 Ca 0.03 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.63 2yxt h LYS 102 Cb 0.22 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 2yxt h LYS 102 CO 0.01 0.59 -0.79 1.96 -0.57 0.00 0.00 179.45 180.66 2yxt h GLN 103 N 0.00 0.21 -0.14 3.15 4.20 -0.39 -1.30 115.11 120.83 2yxt h GLN 103 Ca -0.01 -0.20 -0.10 0.00 0.06 0.00 0.00 58.65 58.40 2yxt h GLN 103 Cb 1.17 0.05 0.00 0.00 0.30 0.00 0.00 27.48 29.01 2yxt h GLN 103 CO 0.08 0.89 -0.32 1.96 -0.67 0.00 0.00 178.83 180.77 2yxt h GLN 104 N 0.13 0.47 -2.77 1.46 1.08 -0.98 -3.40 115.11 111.11 2yxt h GLN 104 Ca -0.03 -0.31 -0.59 0.00 -1.45 0.00 0.00 58.65 56.26 2yxt h GLN 104 Cb 1.38 0.04 -0.39 0.00 -0.05 0.00 0.00 27.48 28.45 2yxt h GLN 104 CO 0.12 0.92 -0.80 1.21 -0.95 0.00 0.00 178.83 179.34 2yxt s ASN 105 N -6.44 3.28 0.44 1.46 2.47 0.65 -4.97 114.94 111.83 2yxt s ASN 105 Ca -0.13 -2.36 0.21 0.00 0.42 0.00 0.00 52.86 51.00 2yxt s ASN 105 Cb 0.06 -0.67 1.16 0.00 -1.45 0.00 0.00 41.25 40.34 2yxt s ASN 105 CO 0.80 -0.29 1.60 -0.65 -3.72 0.00 0.00 177.10 174.83 2yxt h PRO 106 N 6.92 0.00 -0.01 0.43 0.11 -1.45 0.13 132.00 138.13 2yxt h PRO 106 Ca 0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.13 2yxt h PRO 106 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 2yxt h PRO 106 CO 0.36 0.00 -0.12 0.54 -0.21 0.00 0.00 178.00 178.57 2yxt n ARG 107 N -2.38 1.26 -1.67 1.05 1.74 -1.26 -4.95 116.66 110.44 2yxt n ARG 107 Ca -0.01 -0.73 -0.43 0.00 -0.77 0.00 0.00 57.85 55.90 2yxt n ARG 107 Cb 0.27 -1.48 -0.01 0.00 -1.02 0.00 0.00 32.46 30.21 2yxt n ARG 107 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2yxt n LEU 108 N -0.23 3.09 -4.33 0.55 0.00 0.46 -4.98 117.00 111.56 2yxt n LEU 108 Ca 0.16 1.19 -0.35 0.00 0.00 0.00 0.00 56.01 57.01 2yxt n LEU 108 Cb 0.35 -1.43 -0.14 0.00 0.00 0.00 0.00 43.42 42.20 2yxt n LEU 108 CO 0.21 -0.69 -0.37 -0.69 0.00 0.00 0.00 177.39 175.85 2yxt s VAL 109 N -0.92 3.48 -0.39 1.96 1.01 -0.43 -4.98 120.40 120.12 2yxt s VAL 109 Ca 0.58 -0.46 -0.13 0.00 0.00 0.00 0.00 61.98 61.97 2yxt s VAL 109 Cb -0.61 -2.58 0.02 0.00 0.00 0.00 0.00 36.38 33.20 2yxt s VAL 109 CO 0.60 0.42 0.26 -0.47 0.00 0.00 0.00 175.10 175.91 2yxt s TYR 110 N 1.44 3.24 -0.41 5.22 6.04 -1.26 -1.78 117.35 129.84 2yxt s TYR 110 Ca 0.05 -0.64 -0.21 0.00 0.04 0.00 0.00 57.07 56.31 2yxt s TYR 110 Cb -0.14 -2.53 0.02 0.00 -1.04 0.00 0.00 41.96 38.27 2yxt s TYR 110 CO -0.02 -0.57 0.64 0.08 -1.54 0.00 0.00 175.55 174.14 2yxt s VAL 111 N 1.65 4.84 -0.22 3.14 1.01 0.07 -0.43 120.40 130.46 2yxt s VAL 111 Ca 0.04 0.25 -0.02 0.00 0.00 0.00 0.00 61.98 62.25 2yxt s VAL 111 Cb -0.19 -4.17 0.01 0.00 0.00 0.00 0.00 36.38 32.03 2yxt s VAL 111 CO 0.09 -0.51 -0.07 0.00 0.00 0.00 0.00 175.10 174.60 2yxt s ASP 113 N 1.41 6.22 -1.34 0.00 2.15 -0.46 -2.55 116.67 122.09 2yxt s ASP 113 Ca 0.04 -0.96 -0.15 0.00 0.43 0.00 0.00 52.55 51.91 2yxt s ASP 113 Cb -0.15 -2.28 0.08 0.00 -0.30 0.00 0.00 42.92 40.27 2yxt s ASP 113 CO -0.05 -0.88 1.90 -0.81 -0.17 0.00 0.00 175.17 175.16 2yxt n PRO 114 N 6.10 3.14 -1.90 4.34 -0.04 -1.26 -4.12 135.00 141.25 2yxt n PRO 114 Ca -0.07 -3.13 -0.42 0.00 -0.04 0.00 0.00 63.50 59.84 2yxt n PRO 114 Cb 0.45 -3.31 -0.03 0.00 -0.04 0.00 0.00 33.50 30.58 2yxt n PRO 114 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2yxt s VAL 115 N 3.11 3.40 0.00 0.52 1.01 -1.26 -4.78 120.40 122.40 2yxt s VAL 115 Ca 0.49 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.94 2yxt s VAL 115 Cb 0.07 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 33.12 2yxt s VAL 115 CO 0.00 -0.07 0.00 0.18 0.00 0.00 0.00 175.10 175.21 2yxt n LEU 116 N 7.68 0.58 0.00 3.92 4.77 -1.26 -4.76 117.00 127.93 2yxt n LEU 116 Ca 0.19 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 2yxt n LEU 116 Cb 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 2yxt n LEU 116 CO 0.64 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 2yxt n GLY 117 N 1.80 -0.55 3.78 -0.72 0.00 -1.26 0.28 105.19 108.52 2yxt n GLY 117 Ca 0.00 -0.80 -0.05 0.00 0.00 0.00 0.00 46.02 45.16 2yxt n GLY 117 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2yxt s ASP 118 N -4.00 -0.23 -0.16 1.61 -1.08 -1.01 -4.70 116.67 107.10 2yxt s ASP 118 Ca 0.00 -0.47 -0.09 0.00 -0.52 0.00 0.00 52.55 51.47 2yxt s ASP 118 Cb 0.00 0.59 -0.05 0.00 -1.46 0.00 0.00 42.92 42.01 2yxt s ASP 118 CO 0.00 -1.09 0.15 -0.75 0.52 0.00 0.00 175.17 174.00 2yxt s LYS 119 N -3.57 3.91 -0.01 4.34 2.20 -1.26 -1.01 119.74 124.34 2yxt s LYS 119 Ca 0.11 -0.15 -0.07 0.00 -0.36 0.00 0.00 55.97 55.51 2yxt s LYS 119 Cb -0.03 -3.33 -0.02 0.00 -1.51 0.00 0.00 37.83 32.93 2yxt s LYS 119 CO 0.03 0.48 -0.13 0.91 -0.36 0.00 0.00 175.35 176.29 2yxt n TRP 120 N 2.91 0.00 0.00 4.03 7.02 -0.93 -4.91 117.44 125.55 2yxt n TRP 120 Ca -0.17 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.31 2yxt n TRP 120 Cb 0.53 -0.19 0.00 0.00 -2.42 0.00 0.00 31.31 29.23 2yxt n TRP 120 CO 0.00 0.00 0.00 -0.40 -2.02 0.00 0.00 177.69 175.27 2yxt n ASP 121 N -3.82 0.00 0.00 -0.99 5.75 -1.26 -4.88 116.55 111.35 2yxt n ASP 121 Ca -0.05 0.00 0.03 0.00 -0.01 0.00 0.00 54.79 54.76 2yxt n ASP 121 Cb 0.19 0.00 0.16 0.00 -1.03 0.00 0.00 41.12 40.45 2yxt n ASP 121 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2yxt n GLY 122 N 5.00 -0.44 3.46 6.12 0.00 -1.26 -4.75 105.19 113.32 2yxt n GLY 122 Ca 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 2yxt n GLY 122 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2yxt s GLU 123 N -2.46 1.14 0.61 1.61 2.56 -1.26 -5.17 118.70 115.73 2yxt s GLU 123 Ca 0.07 -0.31 -0.06 0.00 0.00 0.00 0.00 54.97 54.67 2yxt s GLU 123 Cb 0.04 0.53 0.01 0.00 2.00 0.00 0.00 34.13 36.71 2yxt s GLU 123 CO 0.09 -0.48 0.92 0.20 -0.56 0.00 0.00 175.26 175.44 2yxt s GLY 124 N -2.40 1.61 0.03 -1.50 0.00 -1.26 -2.20 107.32 101.60 2yxt s GLY 124 Ca -0.00 -0.67 -0.04 0.00 0.00 0.00 0.00 44.72 44.01 2yxt s GLY 124 CO -0.08 -0.38 0.06 -1.35 0.00 0.00 0.00 173.10 171.35 2yxt s SER 125 N -4.32 0.21 0.21 1.64 1.04 -0.18 -4.92 113.70 107.38 2yxt s SER 125 Ca 0.55 -0.54 -0.09 0.00 0.48 0.00 0.00 55.95 56.35 2yxt s SER 125 Cb -0.11 0.20 -0.07 0.00 0.10 0.00 0.00 66.02 66.14 2yxt s SER 125 CO 0.46 -0.46 0.51 -0.04 0.98 0.00 0.00 173.24 174.68 2yxt s MET 126 N -2.39 3.76 0.00 4.02 -1.94 -1.26 -2.39 119.30 119.10 2yxt s MET 126 Ca -0.07 0.20 0.17 0.00 -1.71 0.00 0.00 55.69 54.28 2yxt s MET 126 Cb -0.03 -2.70 -0.09 0.00 2.01 0.00 0.00 34.83 34.02 2yxt s MET 126 CO -0.04 0.36 0.81 0.66 -0.01 0.00 0.00 175.02 176.80 2yxt n TYR 127 N -0.06 0.00 -4.17 -0.03 4.01 0.14 -4.92 117.16 112.13 2yxt n TYR 127 Ca -0.00 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.63 2yxt n TYR 127 Cb 0.52 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.45 2yxt n TYR 127 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 2yxt s VAL 128 N -2.29 0.13 0.29 -0.72 -7.23 -1.24 -5.01 120.40 104.33 2yxt s VAL 128 Ca 0.10 -1.94 -0.30 0.00 -1.81 0.00 0.00 61.98 58.04 2yxt s VAL 128 Cb 0.13 -2.16 -0.12 0.00 0.56 0.00 0.00 36.38 34.79 2yxt s VAL 128 CO 0.56 -0.36 1.48 -2.65 -0.31 0.00 0.00 175.10 173.82 2yxt n PRO 129 N -0.15 2.38 0.14 4.82 -0.02 -1.26 -4.86 135.00 136.05 2yxt n PRO 129 Ca -0.04 0.84 0.19 0.00 -2.02 0.00 0.00 63.50 62.48 2yxt n PRO 129 Cb 0.64 -2.55 0.78 0.00 -0.02 0.00 0.00 33.50 32.35 2yxt n PRO 129 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2yxt h GLU 130 N 4.12 0.00 0.00 -0.52 5.08 -1.99 -1.22 114.58 120.06 2yxt h GLU 130 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 2yxt h GLU 130 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2yxt h GLU 130 CO 0.74 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.35 2yxt n ASP 131 N -3.72 0.00 0.07 1.42 5.75 -1.26 -2.12 116.55 116.70 2yxt n ASP 131 Ca 0.05 -0.69 -0.01 0.00 -0.01 0.00 0.00 54.79 54.12 2yxt n ASP 131 Cb 0.50 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.54 2yxt n ASP 131 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 2yxt h LEU 132 N 0.00 0.00 -0.57 -2.12 4.07 -1.58 -3.37 115.31 111.74 2yxt h LEU 132 Ca 0.00 0.00 0.04 0.00 0.08 0.00 0.00 57.88 58.00 2yxt h LEU 132 Cb 0.00 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.70 2yxt h LEU 132 CO 0.00 0.67 0.33 0.25 -1.08 0.00 0.00 178.44 178.61 2yxt h LEU 133 N 0.00 0.51 -1.41 1.67 5.85 -1.62 0.17 115.31 120.48 2yxt h LEU 133 Ca -0.08 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.59 2yxt h LEU 133 Cb 1.58 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.51 2yxt h LEU 133 CO 0.07 0.35 -0.29 -0.65 -0.34 0.00 0.00 178.44 177.59 2yxt h PRO 134 N 0.64 0.00 -0.39 5.25 0.11 -1.77 -1.52 132.00 134.32 2yxt h PRO 134 Ca 0.24 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 66.19 2yxt h PRO 134 Cb 0.07 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.18 2yxt h PRO 134 CO -0.12 0.29 -0.38 0.28 -0.21 0.00 0.00 178.00 177.86 2yxt h VAL 135 N 0.00 1.27 -0.60 3.15 2.07 -1.30 -0.50 116.25 120.34 2yxt h VAL 135 Ca -0.00 -1.55 -0.10 0.00 0.82 0.00 0.00 66.70 65.86 2yxt h VAL 135 Cb 0.57 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 2yxt h VAL 135 CO 0.04 0.52 -0.02 1.88 0.02 0.00 0.00 177.57 180.01 2yxt h TYR 136 N 0.77 1.17 0.03 1.57 -1.99 -0.70 0.14 116.97 117.97 2yxt h TYR 136 Ca 0.06 -0.21 -0.00 0.00 2.00 0.00 0.00 58.73 60.58 2yxt h TYR 136 Cb 0.98 -0.30 0.00 0.00 2.00 0.00 0.00 36.73 39.41 2yxt h TYR 136 CO 0.06 1.04 -0.02 0.87 -0.00 0.00 0.00 178.16 180.12 2yxt h LYS 137 N 0.97 -0.04 0.05 4.88 1.57 -1.16 0.18 116.57 123.02 2yxt h LYS 137 Ca 0.17 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.67 2yxt h LYS 137 Cb 0.59 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.88 2yxt h LYS 137 CO 0.04 0.45 -1.48 0.93 -0.57 0.00 0.00 179.45 178.82 2yxt h GLU 138 N -0.56 0.11 0.00 3.15 5.08 -1.14 -3.40 114.58 117.83 2yxt h GLU 138 Ca -0.00 -0.19 -0.24 0.00 -1.00 0.00 0.00 59.36 57.92 2yxt h GLU 138 Cb 0.52 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.80 2yxt h GLU 138 CO 0.01 0.90 -1.88 1.63 -1.00 0.00 0.00 179.01 178.67 2yxt n LYS 139 N -3.30 0.36 -0.05 2.33 4.76 0.38 -4.66 118.16 117.97 2yxt n LYS 139 Ca -0.13 0.11 -0.00 0.00 -2.87 0.00 0.00 58.31 55.42 2yxt n LYS 139 Cb 1.02 -1.21 -0.00 0.00 -1.84 0.00 0.00 35.03 33.00 2yxt n LYS 139 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2yxt h VAL 140 N -0.24 0.00 -1.00 -0.18 2.07 -1.20 -3.29 116.25 112.42 2yxt h VAL 140 Ca -0.37 -1.00 0.17 0.00 0.82 0.00 0.00 66.70 66.33 2yxt h VAL 140 Cb 1.45 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 31.13 2yxt h VAL 140 CO -0.13 0.00 0.62 0.58 0.02 0.00 0.00 177.57 178.65 2yxt h VAL 141 N -1.00 0.76 0.00 2.57 2.07 -0.87 -0.06 116.25 119.72 2yxt h VAL 141 Ca 0.00 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 2yxt h VAL 141 Cb 0.04 -0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 29.70 2yxt h VAL 141 CO 0.00 0.15 -0.06 -0.65 0.02 0.00 0.00 177.57 177.02 2yxt h PRO 142 N 0.80 0.00 0.00 1.57 0.10 -1.69 -1.61 132.00 131.16 2yxt h PRO 142 Ca 0.55 0.00 0.00 0.00 0.10 0.00 0.00 66.00 66.65 2yxt h PRO 142 Cb 0.82 0.00 0.00 0.00 0.10 0.00 0.00 31.00 31.92 2yxt h PRO 142 CO -0.34 0.06 -0.71 1.28 0.10 0.00 0.00 178.00 178.39 2yxt n LEU 143 N -3.49 0.62 -4.78 2.35 4.77 -0.11 -4.78 117.00 111.58 2yxt n LEU 143 Ca -0.02 0.08 -0.37 0.00 -0.03 0.00 0.00 56.01 55.68 2yxt n LEU 143 Cb 0.19 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 41.07 2yxt n LEU 143 CO 0.27 0.03 0.75 0.00 -1.33 0.00 0.00 177.39 177.11 2yxt s ALA 144 N -3.13 3.07 -0.13 -1.18 0.00 -0.61 -4.67 121.76 115.12 2yxt s ALA 144 Ca 0.07 0.74 0.06 0.00 0.00 0.00 0.00 51.96 52.83 2yxt s ALA 144 Cb 0.15 -3.29 -0.12 0.00 0.00 0.00 0.00 23.12 19.86 2yxt s ALA 144 CO 0.74 -0.29 -0.04 -0.25 0.00 0.00 0.00 175.76 175.92 2yxt n ASP 145 N -0.13 2.53 -3.82 0.00 8.00 0.43 -2.77 116.55 120.78 2yxt n ASP 145 Ca 0.05 -0.04 -0.21 0.00 0.71 0.00 0.00 54.79 55.30 2yxt n ASP 145 Cb 0.49 0.29 -0.17 0.00 -0.02 0.00 0.00 41.12 41.71 2yxt n ASP 145 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2yxt s ILE 146 N -2.28 0.42 0.09 0.53 1.01 -1.04 -1.39 121.20 118.54 2yxt s ILE 146 Ca -0.12 0.03 0.09 0.00 0.00 0.00 0.00 60.65 60.64 2yxt s ILE 146 Cb 0.04 -0.52 -0.03 0.00 0.01 0.00 0.00 42.46 41.96 2yxt s ILE 146 CO 0.40 0.24 -0.23 0.27 0.00 0.00 0.00 174.94 175.62 2yxt s ILE 147 N 1.49 1.89 -0.49 2.92 -4.36 -0.64 -0.06 121.20 121.95 2yxt s ILE 147 Ca -0.02 -1.51 0.08 0.00 -0.26 0.00 0.00 60.65 58.93 2yxt s ILE 147 Cb -0.13 -1.68 0.36 0.00 1.25 0.00 0.00 42.46 42.26 2yxt s ILE 147 CO -0.03 0.08 0.89 0.35 0.24 0.00 0.00 174.94 176.47 2yxt n THR 148 N 1.27 1.92 -2.05 8.37 -2.24 -1.06 -1.65 114.28 118.85 2yxt n THR 148 Ca -0.18 -5.11 -0.32 0.00 -2.27 0.00 0.00 64.05 56.16 2yxt n THR 148 Cb 0.53 -0.94 0.01 0.00 -2.10 0.00 0.00 70.33 67.83 2yxt n THR 148 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2yxt s PRO 149 N -3.14 3.36 0.83 -0.78 0.04 -1.06 -4.61 135.00 129.64 2yxt s PRO 149 Ca 0.45 1.15 -0.07 0.00 0.04 0.00 0.00 61.00 62.57 2yxt s PRO 149 Cb 0.32 -2.04 0.16 0.00 0.04 0.00 0.00 34.50 32.98 2yxt s PRO 149 CO -0.12 -0.77 1.14 0.54 0.04 0.00 0.00 177.00 177.83 2yxt s ASN 150 N -2.91 3.77 0.15 6.66 2.20 -1.26 -0.91 114.94 122.65 2yxt s ASN 150 Ca 0.63 -0.15 -0.19 0.00 -0.94 0.00 0.00 52.86 52.20 2yxt s ASN 150 Cb -0.15 -0.06 0.05 0.00 -2.00 0.00 0.00 41.25 39.09 2yxt s ASN 150 CO 0.38 -2.27 1.66 -0.61 -2.94 0.00 0.00 177.10 173.32 2yxt h GLN 151 N -1.01 -0.07 -0.44 3.55 4.15 -0.80 -0.28 115.11 120.20 2yxt h GLN 151 Ca -0.39 0.01 0.09 0.00 0.77 0.00 0.00 58.65 59.12 2yxt h GLN 151 Cb 1.25 0.02 -0.08 0.00 0.21 0.00 0.00 27.48 28.87 2yxt h GLN 151 CO 0.38 -0.05 -0.12 0.35 -1.93 0.00 0.00 178.83 177.46 2yxt h PHE 152 N -0.08 -0.27 -0.38 3.99 3.57 -1.91 -0.63 116.94 121.23 2yxt h PHE 152 Ca 0.16 0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.61 2yxt h PHE 152 Cb 0.31 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 2yxt h PHE 152 CO -0.33 -0.20 -0.11 0.93 -2.23 0.00 0.00 178.31 176.36 2yxt h GLU 153 N -0.02 0.67 -0.46 1.11 5.08 -1.77 -0.49 114.58 118.70 2yxt h GLU 153 Ca 0.21 -0.21 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 2yxt h GLU 153 Cb 0.34 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 2yxt h GLU 153 CO -0.46 0.77 -0.02 0.00 -1.00 0.00 0.00 179.01 178.30 2yxt h ALA 154 N 1.27 1.12 -0.15 3.43 0.00 -0.23 -0.75 119.26 123.95 2yxt h ALA 154 Ca 0.11 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2yxt h ALA 154 Cb 0.55 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2yxt h ALA 154 CO 0.03 0.56 0.02 0.93 0.00 0.00 0.00 179.25 180.79 2yxt h GLU 155 N 0.71 0.25 -0.15 0.00 5.08 -0.73 -0.18 114.58 119.55 2yxt h GLU 155 Ca 0.14 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2yxt h GLU 155 Cb 0.46 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2yxt h GLU 155 CO 0.02 0.45 0.09 -0.07 -1.00 0.00 0.00 179.01 178.50 2yxt h LEU 156 N 0.01 0.18 -0.83 1.33 3.38 -0.93 0.74 115.31 119.19 2yxt h LEU 156 Ca 0.04 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 2yxt h LEU 156 Cb 0.32 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2yxt h LEU 156 CO 0.00 0.19 -0.08 -0.07 0.09 0.00 0.00 178.44 178.58 2yxt h LEU 157 N 0.16 0.78 0.00 1.67 3.38 -1.09 -3.10 115.31 117.11 2yxt h LEU 157 Ca 0.05 -0.22 -0.19 0.00 0.09 0.00 0.00 57.88 57.61 2yxt h LEU 157 Cb 0.04 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 2yxt h LEU 157 CO -0.01 0.89 -1.16 0.77 0.09 0.00 0.00 178.44 179.02 2yxt h SER 158 N 0.73 0.00 -0.03 -0.43 4.64 -0.92 -3.48 113.55 114.06 2yxt h SER 158 Ca 0.13 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.44 2yxt h SER 158 Cb 0.55 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.64 2yxt h SER 158 CO 0.03 0.78 -0.01 0.61 -0.87 0.00 0.00 176.83 177.37 2yxt n GLY 159 N 1.38 0.45 3.26 -0.77 0.00 0.26 -5.03 105.19 104.74 2yxt n GLY 159 Ca -0.06 -0.75 -0.25 0.00 0.00 0.00 0.00 46.02 44.97 2yxt n GLY 159 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2yxt s ARG 160 N -1.48 1.27 0.08 1.61 0.52 -1.17 -5.03 118.95 114.75 2yxt s ARG 160 Ca 0.00 -1.00 -0.04 0.00 -0.52 0.00 0.00 55.73 54.16 2yxt s ARG 160 Cb 0.00 -1.42 -0.05 0.00 0.52 0.00 0.00 34.95 34.00 2yxt s ARG 160 CO 0.00 0.35 0.30 0.21 0.02 0.00 0.00 175.30 176.19 2yxt s LYS 161 N -1.43 3.57 -0.22 3.54 2.20 -1.26 -4.23 119.74 121.91 2yxt s LYS 161 Ca 0.07 -0.17 -0.04 0.00 -0.36 0.00 0.00 55.97 55.47 2yxt s LYS 161 Cb -0.09 -2.96 -0.01 0.00 -1.51 0.00 0.00 37.83 33.25 2yxt s LYS 161 CO 0.03 0.56 -0.04 0.42 -0.36 0.00 0.00 175.35 175.95 2yxt s ILE 162 N -1.52 3.38 -0.07 5.43 1.01 -1.26 -4.96 121.20 123.22 2yxt s ILE 162 Ca 0.36 -0.49 0.01 0.00 0.00 0.00 0.00 60.65 60.52 2yxt s ILE 162 Cb -0.13 -2.53 -0.00 0.00 0.01 0.00 0.00 42.46 39.81 2yxt s ILE 162 CO 0.23 0.43 0.28 1.41 0.00 0.00 0.00 174.94 177.29 2yxt n HIS 163 N 4.71 0.00 -3.89 3.97 8.25 -1.26 -5.02 115.22 121.99 2yxt n HIS 163 Ca -0.18 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.19 2yxt n HIS 163 Cb 0.51 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.57 2yxt n HIS 163 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2yxt s SER 164 N -0.57 -0.11 0.14 0.41 1.04 -1.26 -4.98 113.70 108.37 2yxt s SER 164 Ca 0.01 -0.74 -0.18 0.00 0.48 0.00 0.00 55.95 55.52 2yxt s SER 164 Cb 0.01 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.66 2yxt s SER 164 CO 0.02 -1.03 1.76 -0.61 0.98 0.00 0.00 173.24 174.36 2yxt h GLN 165 N 2.32 0.25 -0.67 4.02 4.15 -1.97 0.15 115.11 123.36 2yxt h GLN 165 Ca -0.29 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.13 2yxt h GLN 165 Cb 1.25 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.85 2yxt h GLN 165 CO 0.40 0.16 0.44 1.05 -1.93 0.00 0.00 178.83 178.95 2yxt h GLU 166 N 0.25 0.85 0.00 1.69 4.11 -1.99 0.16 114.58 119.64 2yxt h GLU 166 Ca 0.12 -0.05 -0.12 0.00 0.07 0.00 0.00 59.36 59.38 2yxt h GLU 166 Cb 0.07 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 2yxt h GLU 166 CO -0.11 0.56 -0.57 1.49 0.07 0.00 0.00 179.01 180.45 2yxt h GLU 167 N 0.87 0.00 -0.22 1.06 4.81 -1.83 -2.47 114.58 116.81 2yxt h GLU 167 Ca 0.25 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.44 2yxt h GLU 167 Cb -0.05 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 2yxt h GLU 167 CO -0.06 0.57 -0.00 0.00 -0.73 0.00 0.00 179.01 178.79 2yxt h ALA 168 N 1.43 0.30 -0.68 2.92 0.00 0.16 -1.63 119.26 121.76 2yxt h ALA 168 Ca -0.01 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.70 2yxt h ALA 168 Cb 1.13 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 2yxt h ALA 168 CO 0.07 0.03 0.45 -0.07 0.00 0.00 0.00 179.25 179.73 2yxt h LEU 169 N 0.16 0.78 -0.62 0.00 3.38 -0.62 0.26 115.31 118.66 2yxt h LEU 169 Ca 0.06 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 2yxt h LEU 169 Cb 0.41 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2yxt h LEU 169 CO 0.01 0.57 -0.10 -0.09 0.09 0.00 0.00 178.44 178.92 2yxt h ARG 170 N 0.92 0.98 -0.48 1.13 2.43 -1.36 -1.28 114.38 116.73 2yxt h ARG 170 Ca 0.25 -0.35 -0.04 0.00 -0.81 0.00 0.00 59.98 59.02 2yxt h ARG 170 Cb -0.11 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.36 2yxt h ARG 170 CO -0.05 1.03 0.14 0.28 -1.51 0.00 0.00 179.97 179.85 2yxt h VAL 171 N 0.88 1.23 -0.93 0.20 2.07 -0.24 -1.97 116.25 117.49 2yxt h VAL 171 Ca 0.14 -0.79 0.09 0.00 0.82 0.00 0.00 66.70 66.96 2yxt h VAL 171 Cb 0.65 0.84 -0.07 0.00 -1.52 0.00 0.00 31.29 31.19 2yxt h VAL 171 CO 0.05 0.29 0.60 0.24 0.02 0.00 0.00 177.57 178.76 2yxt h MET 172 N 0.64 0.93 -0.50 1.57 2.86 -0.12 -0.65 114.93 119.66 2yxt h MET 172 Ca 0.15 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 57.66 2yxt h MET 172 Cb 0.29 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 2yxt h MET 172 CO -0.00 0.62 0.01 -0.44 1.06 0.00 0.00 176.91 178.15 2yxt h ASP 173 N 0.96 0.80 -0.63 1.22 3.32 -0.73 0.18 116.42 121.54 2yxt h ASP 173 Ca 0.43 -0.20 -0.04 0.00 0.02 0.00 0.00 57.03 57.25 2yxt h ASP 173 Cb 0.37 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.68 2yxt h ASP 173 CO -0.19 0.86 0.24 0.24 -1.72 0.00 0.00 179.24 178.67 2yxt h MET 174 N 0.78 0.95 0.07 3.56 2.86 -0.43 0.01 114.93 122.73 2yxt h MET 174 Ca 0.15 -0.18 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2yxt h MET 174 Cb 0.46 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.97 2yxt h MET 174 CO 0.02 0.81 -0.04 -0.07 1.06 0.00 0.00 176.91 178.69 2yxt h LEU 175 N 0.88 -0.08 -0.71 1.22 3.38 -0.88 -1.30 115.31 117.83 2yxt h LEU 175 Ca 0.21 -0.05 0.13 0.00 0.09 0.00 0.00 57.88 58.26 2yxt h LEU 175 Cb 0.22 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 40.90 2yxt h LEU 175 CO -0.02 -0.01 0.24 0.45 0.09 0.00 0.00 178.44 179.20 2yxt h HIS 176 N -0.15 0.41 0.00 1.13 3.86 -0.18 -1.18 115.15 119.04 2yxt h HIS 176 Ca -0.01 0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.21 2yxt h HIS 176 Cb 0.13 -0.07 -0.00 0.00 1.06 0.00 0.00 27.41 28.52 2yxt h HIS 176 CO -0.06 0.03 -0.11 0.66 0.86 0.00 0.00 177.93 179.31 2yxt h SER 177 N 0.38 0.00 0.89 2.45 4.64 -0.40 -0.42 113.55 121.09 2yxt h SER 177 Ca 0.38 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.68 2yxt h SER 177 Cb 0.58 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.66 2yxt h SER 177 CO -0.41 0.11 -0.10 0.24 -0.87 0.00 0.00 176.83 175.80 2yxt h MET 178 N 0.00 0.00 0.00 4.77 2.07 -0.08 -3.48 114.93 118.21 2yxt h MET 178 Ca -0.00 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.63 2yxt h MET 178 Cb 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.96 2yxt h MET 178 CO 0.01 0.10 0.00 0.41 1.07 0.00 0.00 176.91 178.51 2yxt n GLY 179 N -0.02 0.95 3.66 8.32 0.00 -0.17 -3.82 105.19 114.10 2yxt n GLY 179 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.53 2yxt n GLY 179 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yxt n PRO 180 N 0.00 1.83 0.23 1.61 -0.04 -1.12 -4.86 135.00 132.66 2yxt n PRO 180 Ca 0.00 0.66 0.12 0.00 -0.04 0.00 0.00 63.50 64.25 2yxt n PRO 180 Cb 0.00 -2.41 0.38 0.00 -0.04 0.00 0.00 33.50 31.43 2yxt n PRO 180 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2yxt h ASP 181 N 6.34 0.00 -3.25 3.54 3.32 -1.63 -3.36 116.42 121.38 2yxt h ASP 181 Ca -0.46 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 55.98 2yxt h ASP 181 Cb 1.28 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 40.49 2yxt h ASP 181 CO 0.88 0.09 -0.84 -0.89 -1.72 0.00 0.00 179.24 176.76 2yxt s THR 182 N -3.42 1.62 -0.11 0.35 2.01 -0.49 -0.83 115.64 114.78 2yxt s THR 182 Ca 0.04 -0.72 0.02 0.00 0.31 0.00 0.00 61.69 61.34 2yxt s THR 182 Cb 0.08 -1.47 0.01 0.00 0.01 0.00 0.00 72.50 71.13 2yxt s THR 182 CO 0.63 0.46 -0.15 -0.69 -0.69 0.00 0.00 174.62 174.18 2yxt s VAL 183 N 0.95 1.49 -0.12 3.82 1.01 0.12 -1.62 120.40 126.04 2yxt s VAL 183 Ca -0.07 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.27 2yxt s VAL 183 Cb -0.15 -1.36 0.02 0.00 0.00 0.00 0.00 36.38 34.89 2yxt s VAL 183 CO -0.02 0.44 -0.10 -0.69 0.00 0.00 0.00 175.10 174.73 2yxt s VAL 184 N 0.95 1.21 -0.82 2.92 1.01 -0.66 -0.75 120.40 124.26 2yxt s VAL 184 Ca -0.07 -0.41 -0.18 0.00 0.00 0.00 0.00 61.98 61.31 2yxt s VAL 184 Cb -0.15 -1.19 0.13 0.00 0.00 0.00 0.00 36.38 35.18 2yxt s VAL 184 CO -0.01 0.40 0.97 -0.63 0.00 0.00 0.00 175.10 175.83 2yxt s ILE 185 N 1.57 4.84 -0.72 2.22 1.01 0.10 -2.57 121.20 127.65 2yxt s ILE 185 Ca 0.04 -1.47 0.06 0.00 0.00 0.00 0.00 60.65 59.27 2yxt s ILE 185 Cb -0.13 -4.67 0.06 0.00 0.01 0.00 0.00 42.46 37.73 2yxt s ILE 185 CO -0.08 -1.36 1.15 0.35 0.00 0.00 0.00 174.94 175.00 2yxt n THR 186 N 5.30 1.61 -3.65 2.92 -2.24 -0.09 -1.46 114.28 116.68 2yxt n THR 186 Ca 0.13 0.57 -0.01 0.00 -2.27 0.00 0.00 64.05 62.47 2yxt n THR 186 Cb 0.47 -1.57 -0.07 0.00 -2.10 0.00 0.00 70.33 67.07 2yxt n THR 186 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2yxt s SER 187 N -3.22 -0.04 0.17 3.42 0.15 -1.26 -4.76 113.70 108.17 2yxt s SER 187 Ca -0.01 0.07 -0.13 0.00 0.70 0.00 0.00 55.95 56.59 2yxt s SER 187 Cb 0.02 0.35 0.01 0.00 -1.71 0.00 0.00 66.02 64.68 2yxt s SER 187 CO 0.05 -0.01 0.38 -0.94 1.20 0.00 0.00 173.24 173.93 2yxt s SER 188 N 0.31 -0.09 -0.20 5.45 1.04 -1.11 -0.03 113.70 119.07 2yxt s SER 188 Ca 0.03 -0.69 0.04 0.00 0.48 0.00 0.00 55.95 55.82 2yxt s SER 188 Cb -0.04 0.49 0.40 0.00 0.10 0.00 0.00 66.02 66.97 2yxt s SER 188 CO -0.14 -0.96 1.39 -0.67 0.98 0.00 0.00 173.24 173.84 2yxt n ASP 189 N -0.26 3.50 -4.83 7.02 -0.08 -1.26 -3.72 116.55 116.92 2yxt n ASP 189 Ca -0.09 -2.75 -0.34 0.00 -1.51 0.00 0.00 54.79 50.10 2yxt n ASP 189 Cb 0.63 -0.66 -0.06 0.00 2.34 0.00 0.00 41.12 43.37 2yxt n ASP 189 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2yxt s LEU 190 N -1.71 4.18 0.43 -2.67 1.43 -1.26 -5.03 118.68 114.05 2yxt s LEU 190 Ca 0.31 1.44 -0.26 0.00 -1.03 0.00 0.00 54.13 54.59 2yxt s LEU 190 Cb 0.25 -3.95 -0.09 0.00 0.03 0.00 0.00 46.19 42.43 2yxt s LEU 190 CO 0.07 -0.12 1.45 -2.16 0.23 0.00 0.00 176.35 175.82 2yxt s PRO 191 N -2.54 3.82 -0.08 1.29 0.04 -1.26 -4.53 135.00 131.74 2yxt s PRO 191 Ca 0.51 2.47 0.05 0.00 0.04 0.00 0.00 61.00 64.06 2yxt s PRO 191 Cb -0.13 -2.75 -0.00 0.00 0.04 0.00 0.00 34.50 31.65 2yxt s PRO 191 CO 0.19 -0.73 -0.23 0.45 0.04 0.00 0.00 177.00 176.72 2yxt s SER 192 N -0.39 2.93 0.00 6.66 0.15 -1.26 -4.97 113.70 116.82 2yxt s SER 192 Ca 0.58 -0.51 0.08 0.00 0.70 0.00 0.00 55.95 56.80 2yxt s SER 192 Cb -0.45 -1.13 0.43 0.00 -1.71 0.00 0.00 66.02 63.16 2yxt s SER 192 CO 0.59 0.18 1.06 -0.81 1.20 0.00 0.00 173.24 175.46 2yxt n PRO 193 N 3.33 0.16 -0.18 5.44 -0.04 -1.26 -1.55 135.00 140.91 2yxt n PRO 193 Ca -0.19 0.14 0.12 0.00 -0.04 0.00 0.00 63.50 63.54 2yxt n PRO 193 Cb 0.53 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.71 2yxt n PRO 193 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2yxt n GLN 194 N -1.20 2.44 0.00 0.54 6.02 -1.26 -5.06 117.38 118.86 2yxt n GLN 194 Ca 0.04 -2.17 0.00 0.00 -0.01 0.00 0.00 57.00 54.87 2yxt n GLN 194 Cb 0.05 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.81 2yxt n GLN 194 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2yxt n GLY 195 N 1.47 1.79 0.05 1.08 0.00 -0.59 -4.72 105.19 104.27 2yxt n GLY 195 Ca 0.19 -2.17 0.12 0.00 0.00 0.00 0.00 46.02 44.16 2yxt n GLY 195 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yxt n SER 196 N 0.00 0.35 0.00 1.61 2.88 -1.26 -2.98 113.62 114.22 2yxt n SER 196 Ca 0.00 0.55 0.10 0.00 -1.33 0.00 0.00 58.87 58.19 2yxt n SER 196 Cb 0.00 -0.64 0.51 0.00 -0.75 0.00 0.00 64.21 63.33 2yxt n SER 196 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2yxt n ASN 197 N -1.84 0.00 -4.64 -3.46 3.02 -1.26 -4.82 115.26 102.26 2yxt n ASN 197 Ca 0.05 0.10 -0.31 0.00 -0.03 0.00 0.00 54.58 54.40 2yxt n ASN 197 Cb 0.32 -0.33 -0.09 0.00 -0.61 0.00 0.00 39.78 39.07 2yxt n ASN 197 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2yxt s TYR 198 N -2.66 2.92 0.09 3.10 1.51 -1.16 0.22 117.35 121.36 2yxt s TYR 198 Ca 0.18 -0.05 0.06 0.00 -1.01 0.00 0.00 57.07 56.25 2yxt s TYR 198 Cb 0.14 -1.54 -0.04 0.00 -0.11 0.00 0.00 41.96 40.41 2yxt s TYR 198 CO 0.33 0.44 -0.08 -0.48 -1.11 0.00 0.00 175.55 174.65 2yxt s LEU 199 N -2.00 3.11 -0.09 -1.29 0.05 0.12 -4.72 118.68 113.86 2yxt s LEU 199 Ca 0.22 -0.33 -0.14 0.00 0.05 0.00 0.00 54.13 53.94 2yxt s LEU 199 Cb -0.11 -1.88 -0.05 0.00 -2.05 0.00 0.00 46.19 42.10 2yxt s LEU 199 CO 0.14 0.19 0.33 -0.63 -0.55 0.00 0.00 176.35 175.84 2yxt s ILE 200 N -1.19 5.22 -0.12 1.48 -1.09 -1.24 -0.81 121.20 123.45 2yxt s ILE 200 Ca 0.21 0.65 0.01 0.00 -2.23 0.00 0.00 60.65 59.29 2yxt s ILE 200 Cb -0.11 -3.65 -0.01 0.00 -1.58 0.00 0.00 42.46 37.11 2yxt s ILE 200 CO 0.13 0.49 -0.16 -0.69 -1.23 0.00 0.00 174.94 173.48 2yxt s VAL 201 N -0.30 2.79 -0.06 2.92 1.01 -0.29 -2.77 120.40 123.71 2yxt s VAL 201 Ca 0.20 -0.76 0.06 0.00 0.00 0.00 0.00 61.98 61.48 2yxt s VAL 201 Cb -0.14 -2.14 -0.01 0.00 0.00 0.00 0.00 36.38 34.08 2yxt s VAL 201 CO 0.08 0.54 -0.24 -0.76 0.00 0.00 0.00 175.10 174.71 2yxt s LEU 202 N 0.26 2.06 -0.01 3.92 1.43 -0.53 -0.57 118.68 125.23 2yxt s LEU 202 Ca -0.11 -0.50 0.03 0.00 -1.03 0.00 0.00 54.13 52.52 2yxt s LEU 202 Cb -0.16 -1.35 -0.01 0.00 0.03 0.00 0.00 46.19 44.70 2yxt s LEU 202 CO 0.06 0.23 -0.11 -0.83 0.23 0.00 0.00 176.35 175.93 2yxt s GLY 203 N -0.12 0.54 -0.01 -3.19 0.00 -0.52 0.02 107.32 104.04 2yxt s GLY 203 Ca -0.04 -0.48 -0.00 0.00 0.00 0.00 0.00 44.72 44.20 2yxt s GLY 203 CO 0.04 -0.39 0.02 -0.45 0.00 0.00 0.00 173.10 172.31 2yxt s SER 204 N -0.25 0.02 -0.02 1.64 0.15 0.07 -0.02 113.70 115.29 2yxt s SER 204 Ca 0.04 0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.72 2yxt s SER 204 Cb -0.04 -0.02 0.02 0.00 -1.71 0.00 0.00 66.02 64.27 2yxt s SER 204 CO -0.00 -0.05 0.01 -1.58 1.20 0.00 0.00 173.24 172.81 2yxt s GLN 205 N 0.39 0.12 -0.11 5.44 0.74 0.45 -0.70 119.66 126.00 2yxt s GLN 205 Ca -0.03 0.08 -0.02 0.00 0.05 0.00 0.00 55.36 55.44 2yxt s GLN 205 Cb -0.05 -0.29 -0.03 0.00 1.10 0.00 0.00 33.01 33.74 2yxt s GLN 205 CO -0.01 -0.10 -0.04 1.03 -0.55 0.00 0.00 175.29 175.62 2yxt s ARG 206 N 0.73 3.16 0.16 1.67 0.52 -0.01 -0.38 118.95 124.80 2yxt s ARG 206 Ca -0.07 -0.49 -0.20 0.00 -0.52 0.00 0.00 55.73 54.45 2yxt s ARG 206 Cb -0.10 -2.77 0.05 0.00 0.52 0.00 0.00 34.95 32.65 2yxt s ARG 206 CO -0.02 0.52 0.53 -0.98 0.02 0.00 0.00 175.30 175.37 2yxt s ARG 207 N -0.41 1.26 -0.22 3.54 1.70 -0.29 -4.78 118.95 119.75 2yxt s ARG 207 Ca 0.07 -0.65 -0.11 0.00 -0.47 0.00 0.00 55.73 54.57 2yxt s ARG 207 Cb -0.12 0.54 -0.05 0.00 -0.57 0.00 0.00 34.95 34.75 2yxt s ARG 207 CO 0.02 -0.53 0.18 0.50 -1.08 0.00 0.00 175.30 174.38 2yxt s ARG 208 N -3.80 4.14 0.79 3.89 3.52 -1.26 0.03 118.95 126.26 2yxt s ARG 208 Ca 0.04 -0.19 -0.09 0.00 -0.13 0.00 0.00 55.73 55.35 2yxt s ARG 208 Cb -0.00 -3.49 0.10 0.00 -1.56 0.00 0.00 34.95 30.00 2yxt s ARG 208 CO -0.10 0.16 1.12 0.54 -0.81 0.00 0.00 175.30 176.21 2yxt s ASN 209 N 0.75 4.32 0.29 -2.12 6.03 0.31 -4.86 114.94 119.67 2yxt s ASN 209 Ca 0.09 0.40 0.04 0.00 -1.03 0.00 0.00 52.86 52.36 2yxt s ASN 209 Cb -0.13 -0.85 0.76 0.00 -3.03 0.00 0.00 41.25 38.01 2yxt s ASN 209 CO 0.02 -1.95 1.68 -0.65 -2.03 0.00 0.00 177.10 174.17 2yxt h PRO 210 N -0.92 0.33 0.00 3.55 0.11 -1.99 0.32 132.00 133.40 2yxt h PRO 210 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2yxt h PRO 210 Cb 1.30 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2yxt h PRO 210 CO 0.54 0.22 0.00 0.00 -0.21 0.00 0.00 178.00 178.55 2yxt n ALA 211 N -2.53 1.46 -0.04 -0.75 0.00 -1.26 -4.85 120.51 112.55 2yxt n ALA 211 Ca 0.23 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.73 2yxt n ALA 211 Cb 0.70 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.85 2yxt n ALA 211 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2yxt n GLY 212 N -0.43 0.62 3.75 0.00 0.00 0.11 -5.07 105.19 104.17 2yxt n GLY 212 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 2yxt n GLY 212 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yxt s SER 213 N -2.78 7.52 -0.32 1.61 0.01 -1.26 -4.72 113.70 113.77 2yxt s SER 213 Ca 0.00 1.81 -0.24 0.00 1.31 0.00 0.00 55.95 58.83 2yxt s SER 213 Cb 0.00 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.66 2yxt s SER 213 CO 0.00 0.07 0.80 -0.69 0.41 0.00 0.00 173.24 173.83 2yxt s VAL 214 N -0.66 4.76 0.37 3.43 1.01 -1.26 -0.53 120.40 127.53 2yxt s VAL 214 Ca 0.42 1.12 0.07 0.00 0.00 0.00 0.00 61.98 63.59 2yxt s VAL 214 Cb -0.24 -4.18 -0.07 0.00 0.00 0.00 0.00 36.38 31.89 2yxt s VAL 214 CO 0.30 -0.32 -0.00 0.68 0.00 0.00 0.00 175.10 175.76 2yxt s VAL 215 N 3.04 1.85 -0.04 2.92 -7.23 0.10 -4.95 120.40 116.09 2yxt s VAL 215 Ca 0.33 -2.04 0.01 0.00 -1.81 0.00 0.00 61.98 58.46 2yxt s VAL 215 Cb -0.14 -2.86 0.02 0.00 0.56 0.00 0.00 36.38 33.97 2yxt s VAL 215 CO 0.14 -0.06 -0.03 -0.32 -0.31 0.00 0.00 175.10 174.53 2yxt s MET 216 N -3.73 0.65 -0.13 4.82 1.75 -1.26 -1.14 119.30 120.26 2yxt s MET 216 Ca 0.34 -0.04 -0.02 0.00 -1.25 0.00 0.00 55.69 54.72 2yxt s MET 216 Cb 0.08 -0.72 -0.03 0.00 2.84 0.00 0.00 34.83 37.01 2yxt s MET 216 CO 0.17 -0.10 -0.05 -2.00 -0.65 0.00 0.00 175.02 172.39 2yxt s GLU 217 N 0.95 3.38 -0.02 4.11 2.12 0.48 -4.95 118.70 124.78 2yxt s GLU 217 Ca -0.11 -0.53 0.04 0.00 0.36 0.00 0.00 54.97 54.74 2yxt s GLU 217 Cb -0.14 -2.81 -0.01 0.00 0.26 0.00 0.00 34.13 31.43 2yxt s GLU 217 CO -0.00 0.38 -0.15 1.03 -0.54 0.00 0.00 175.26 175.97 2yxt s ARG 218 N -0.01 1.25 0.19 4.30 0.52 -1.26 -0.41 118.95 123.52 2yxt s ARG 218 Ca 0.00 -0.53 0.02 0.00 -0.52 0.00 0.00 55.73 54.71 2yxt s ARG 218 Cb -0.13 -1.19 -0.05 0.00 0.52 0.00 0.00 34.95 34.10 2yxt s ARG 218 CO 0.03 0.30 0.02 0.96 0.02 0.00 0.00 175.30 176.62 2yxt s ILE 219 N -0.28 0.66 -0.00 1.52 -5.25 0.98 -0.92 121.20 117.91 2yxt s ILE 219 Ca 0.04 -1.98 -0.01 0.00 -0.99 0.00 0.00 60.65 57.71 2yxt s ILE 219 Cb -0.06 -2.20 -0.00 0.00 2.95 0.00 0.00 42.46 43.14 2yxt s ILE 219 CO -0.00 -0.40 0.02 -0.60 -1.79 0.00 0.00 174.94 172.17 2yxt s ARG 220 N -3.93 0.09 -0.03 0.37 3.52 -0.04 -1.44 118.95 117.49 2yxt s ARG 220 Ca 0.26 -0.09 0.03 0.00 -0.13 0.00 0.00 55.73 55.81 2yxt s ARG 220 Cb 0.06 0.03 -0.00 0.00 -1.56 0.00 0.00 34.95 33.49 2yxt s ARG 220 CO 0.06 -0.01 -0.12 -1.64 -0.81 0.00 0.00 175.30 172.77 2yxt s MET 221 N -0.27 1.18 -0.38 5.12 -1.94 0.26 -0.80 119.30 122.48 2yxt s MET 221 Ca -0.03 -0.41 -0.07 0.00 -1.71 0.00 0.00 55.69 53.47 2yxt s MET 221 Cb -0.02 -1.08 0.06 0.00 2.01 0.00 0.00 34.83 35.80 2yxt s MET 221 CO -0.00 0.18 0.17 -0.51 -0.01 0.00 0.00 175.02 174.85 2yxt s ASP 222 N 0.05 5.42 -0.09 3.03 1.11 -1.26 -1.14 116.67 123.80 2yxt s ASP 222 Ca -0.02 -1.40 -0.00 0.00 0.18 0.00 0.00 52.55 51.31 2yxt s ASP 222 Cb -0.08 -1.90 -0.03 0.00 1.07 0.00 0.00 42.92 41.97 2yxt s ASP 222 CO 0.01 -0.43 -0.06 -0.63 1.18 0.00 0.00 175.17 175.24 2yxt s ILE 223 N 1.37 3.78 0.19 0.77 1.01 0.01 -4.92 121.20 123.41 2yxt s ILE 223 Ca 0.01 -0.44 -0.30 0.00 0.00 0.00 0.00 60.65 59.92 2yxt s ILE 223 Cb -0.21 -2.57 -0.08 0.00 0.01 0.00 0.00 42.46 39.61 2yxt s ILE 223 CO 0.02 0.58 1.21 -0.60 0.00 0.00 0.00 174.94 176.15 2yxt s ARG 224 N -0.59 4.48 0.46 2.79 3.52 -1.26 0.14 118.95 128.48 2yxt s ARG 224 Ca 0.09 1.90 -0.22 0.00 -0.13 0.00 0.00 55.73 57.37 2yxt s ARG 224 Cb -0.12 -3.23 -0.08 0.00 -1.56 0.00 0.00 34.95 29.96 2yxt s ARG 224 CO 0.02 -0.10 1.08 0.15 -0.81 0.00 0.00 175.30 175.64 2yxt s LYS 225 N -0.29 3.84 -0.16 5.12 1.02 0.13 -4.84 119.74 124.57 2yxt s LYS 225 Ca 0.53 1.54 -0.04 0.00 0.02 0.00 0.00 55.97 58.01 2yxt s LYS 225 Cb -0.33 -2.29 -0.03 0.00 -0.52 0.00 0.00 37.83 34.66 2yxt s LYS 225 CO 0.37 -0.43 -0.02 0.54 -0.92 0.00 0.00 175.35 174.90 2yxt s VAL 226 N -1.75 4.09 -1.50 3.17 0.11 -1.26 -4.99 120.40 118.27 2yxt s VAL 226 Ca 0.64 -0.29 -0.10 0.00 -2.93 0.00 0.00 61.98 59.31 2yxt s VAL 226 Cb -0.22 -2.80 0.00 0.00 -1.53 0.00 0.00 36.38 31.83 2yxt s VAL 226 CO 0.27 0.49 2.58 -0.67 -3.33 0.00 0.00 175.10 174.44 2yxt n ASP 227 N 3.46 7.18 -3.52 3.54 2.03 -1.26 -4.79 116.55 123.19 2yxt n ASP 227 Ca -0.17 -2.79 -0.10 0.00 0.52 0.00 0.00 54.79 52.24 2yxt n ASP 227 Cb 0.52 -1.54 -0.02 0.00 -0.72 0.00 0.00 41.12 39.37 2yxt n ASP 227 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2yxt s ALA 228 N 1.59 -1.59 -0.42 -1.67 0.00 -1.26 -5.14 121.76 113.27 2yxt s ALA 228 Ca 0.59 0.45 -0.09 0.00 0.00 0.00 0.00 51.96 52.91 2yxt s ALA 228 Cb 0.16 0.78 0.08 0.00 0.00 0.00 0.00 23.12 24.14 2yxt s ALA 228 CO -0.07 -0.81 0.26 0.08 0.00 0.00 0.00 175.76 175.22 2yxt s VAL 229 N -3.63 4.19 -0.18 0.00 1.01 -1.26 -5.07 120.40 115.46 2yxt s VAL 229 Ca 0.04 -1.44 -0.09 0.00 0.00 0.00 0.00 61.98 60.49 2yxt s VAL 229 Cb -0.02 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 32.74 2yxt s VAL 229 CO -0.08 -0.52 0.11 -0.36 0.00 0.00 0.00 175.10 174.25 2yxt s PHE 230 N 1.41 3.41 0.13 5.22 0.08 -1.26 -4.99 117.98 121.97 2yxt s PHE 230 Ca 0.03 0.31 0.00 0.00 0.12 0.00 0.00 56.93 57.40 2yxt s PHE 230 Cb -0.23 -2.09 -0.04 0.00 -0.57 0.00 0.00 43.02 40.09 2yxt s PHE 230 CO 0.02 0.35 0.29 0.08 -0.10 0.00 0.00 175.22 175.86 2yxt s VAL 231 N 0.07 5.31 0.00 -0.44 1.01 -1.26 -4.34 120.40 120.74 2yxt s VAL 231 Ca 0.08 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.62 2yxt s VAL 231 Cb -0.11 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.58 2yxt s VAL 231 CO -0.00 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.69 2yxt n GLY 232 N -0.22 2.04 0.25 4.51 0.00 -1.26 -4.67 105.19 105.84 2yxt n GLY 232 Ca -0.05 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.00 2yxt n GLY 232 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2yxt h THR 233 N 0.00 1.14 -0.10 2.61 1.35 -1.87 -1.77 112.91 114.26 2yxt h THR 233 Ca 0.00 -0.57 -0.16 0.00 -0.55 0.00 0.00 66.41 65.14 2yxt h THR 233 Cb 0.00 1.06 -0.01 0.00 -1.73 0.00 0.00 68.15 67.47 2yxt h THR 233 CO 0.00 0.18 -0.61 1.23 -0.25 0.00 0.00 175.52 176.07 2yxt h GLY 234 N 0.60 0.38 0.85 5.82 0.00 -1.92 -1.20 103.07 107.60 2yxt h GLY 234 Ca 0.06 -0.47 -0.09 0.00 0.00 0.00 0.00 47.33 46.82 2yxt h GLY 234 CO 0.01 0.42 -0.22 -0.55 0.00 0.00 0.00 176.54 176.20 2yxt h ASP 235 N 0.26 0.56 -0.54 0.19 3.32 -1.83 -2.63 116.42 115.74 2yxt h ASP 235 Ca -0.01 -0.48 -0.07 0.00 0.02 0.00 0.00 57.03 56.49 2yxt h ASP 235 Cb 1.14 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.51 2yxt h ASP 235 CO 0.10 0.92 0.06 0.25 -1.72 0.00 0.00 179.24 178.85 2yxt h LEU 236 N 0.20 0.88 -0.62 1.55 5.85 -1.32 -1.90 115.31 119.95 2yxt h LEU 236 Ca 0.03 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 2yxt h LEU 236 Cb 0.77 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 2yxt h LEU 236 CO 0.05 0.94 0.34 0.15 -0.34 0.00 0.00 178.44 179.59 2yxt h PHE 237 N 0.80 0.85 -0.51 1.25 3.57 -1.21 0.13 116.94 121.82 2yxt h PHE 237 Ca 0.16 -0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.53 2yxt h PHE 237 Cb 0.45 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 2yxt h PHE 237 CO 0.03 0.61 -0.10 0.00 -2.23 0.00 0.00 178.31 176.62 2yxt h ALA 238 N 1.16 0.70 -0.46 2.41 0.00 -1.42 0.52 119.26 122.16 2yxt h ALA 238 Ca 0.22 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2yxt h ALA 238 Cb 0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2yxt h ALA 238 CO -0.04 0.60 0.29 0.00 0.00 0.00 0.00 179.25 180.11 2yxt h ALA 239 N 0.91 0.59 -0.02 0.00 0.00 -0.89 -1.21 119.26 118.64 2yxt h ALA 239 Ca 0.13 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 2yxt h ALA 239 Cb 0.66 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2yxt h ALA 239 CO 0.05 0.06 -0.66 0.52 0.00 0.00 0.00 179.25 179.22 2yxt h MET 240 N 0.62 0.07 -0.60 0.00 2.07 -0.87 -2.19 114.93 114.03 2yxt h MET 240 Ca 0.17 -0.05 -0.05 0.00 -2.07 0.00 0.00 59.70 57.69 2yxt h MET 240 Cb -0.03 0.01 -0.03 0.00 -1.87 0.00 0.00 31.60 29.68 2yxt h MET 240 CO -0.03 0.70 0.18 1.25 1.07 0.00 0.00 176.91 180.07 2yxt h LEU 241 N 0.05 0.88 -0.19 1.22 5.85 -0.60 0.20 115.31 122.72 2yxt h LEU 241 Ca -0.01 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.50 2yxt h LEU 241 Cb 1.17 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 2yxt h LEU 241 CO 0.09 0.86 0.11 0.25 -0.34 0.00 0.00 178.44 179.41 2yxt h LEU 242 N 0.85 0.17 -0.38 2.25 6.46 -1.08 -1.16 115.31 122.43 2yxt h LEU 242 Ca 0.19 0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.90 2yxt h LEU 242 Cb 0.30 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.19 2yxt h LEU 242 CO -0.00 0.13 0.03 0.00 -0.62 0.00 0.00 178.44 177.97 2yxt h ALA 243 N 1.09 0.51 0.00 1.25 0.00 -0.77 -2.38 119.26 118.95 2yxt h ALA 243 Ca 0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2yxt h ALA 243 Cb -0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 2yxt h ALA 243 CO -0.04 0.25 -0.18 -1.49 0.00 0.00 0.00 179.25 177.79 2yxt h TRP 244 N 0.49 0.00 0.00 0.00 -0.00 -0.55 -2.80 115.95 113.09 2yxt h TRP 244 Ca 0.11 0.00 -0.09 0.00 -0.00 0.00 0.00 58.89 58.91 2yxt h TRP 244 Cb 0.42 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.57 2yxt h TRP 244 CO 0.03 0.05 -0.51 1.79 -0.00 0.00 0.00 178.44 179.80 2yxt h THR 245 N 0.00 0.68 -0.30 1.49 1.35 -1.23 -1.99 112.91 112.91 2yxt h THR 245 Ca -0.00 -1.98 -0.13 0.00 -0.55 0.00 0.00 66.41 63.74 2yxt h THR 245 Cb 1.04 2.31 -0.00 0.00 -1.73 0.00 0.00 68.15 69.76 2yxt h THR 245 CO 0.01 0.39 -0.33 -0.74 -0.25 0.00 0.00 175.52 174.59 2yxt h HIS 246 N 0.00 0.92 0.00 4.73 -0.00 -1.23 -2.05 115.15 117.52 2yxt h HIS 246 Ca -0.02 -0.28 -0.19 0.00 -0.00 0.00 0.00 60.37 59.88 2yxt h HIS 246 Cb 1.33 -0.19 -0.02 0.00 -0.00 0.00 0.00 27.41 28.53 2yxt h HIS 246 CO 0.00 1.06 -0.86 0.87 -0.00 0.00 0.00 177.93 178.99 2yxt h LYS 247 N 0.52 0.10 -2.15 5.26 1.79 -1.53 -3.36 116.57 117.20 2yxt h LYS 247 Ca 0.04 -0.11 -0.58 0.00 -2.18 0.00 0.00 60.65 57.83 2yxt h LYS 247 Cb 0.91 0.03 -0.41 0.00 -1.58 0.00 0.00 32.23 31.19 2yxt h LYS 247 CO 0.08 0.90 -0.78 0.72 -1.08 0.00 0.00 179.45 179.29 2yxt n HIS 248 N -3.60 2.45 -0.04 -1.35 8.25 -0.75 -4.97 115.22 115.21 2yxt n HIS 248 Ca -0.02 -3.96 0.15 0.00 -0.26 0.00 0.00 57.72 53.63 2yxt n HIS 248 Cb 0.81 -0.48 0.58 0.00 1.12 0.00 0.00 29.99 32.01 2yxt n HIS 248 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2yxt h PRO 249 N 3.81 0.23 -0.26 -0.41 0.13 -1.53 -2.24 132.00 131.72 2yxt h PRO 249 Ca 0.15 -0.01 -0.09 0.00 -0.87 0.00 0.00 66.00 65.17 2yxt h PRO 249 Cb 0.71 -0.05 -0.05 0.00 0.13 0.00 0.00 31.00 31.74 2yxt h PRO 249 CO 0.71 0.15 -0.06 0.09 -0.23 0.00 0.00 178.00 178.67 2yxt n ASN 250 N -4.44 2.90 -3.52 1.44 3.02 -1.26 -4.81 115.26 108.59 2yxt n ASN 250 Ca 0.10 -3.44 -0.28 0.00 -0.03 0.00 0.00 54.58 50.92 2yxt n ASN 250 Cb 0.46 -0.58 -0.11 0.00 -0.61 0.00 0.00 39.78 38.94 2yxt n ASN 250 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2yxt s ASN 251 N -2.41 2.54 0.30 6.41 3.84 -0.84 -4.96 114.94 119.82 2yxt s ASN 251 Ca 0.42 -2.88 -0.01 0.00 0.21 0.00 0.00 52.86 50.60 2yxt s ASN 251 Cb 0.37 -0.66 0.46 0.00 -0.55 0.00 0.00 41.25 40.87 2yxt s ASN 251 CO 0.03 -0.21 1.92 0.25 -2.79 0.00 0.00 177.10 176.31 2yxt h LEU 252 N 6.10 0.85 -0.25 3.21 5.85 -1.87 -2.16 115.31 127.04 2yxt h LEU 252 Ca 0.16 -0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.85 2yxt h LEU 252 Cb 0.91 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.69 2yxt h LEU 252 CO 0.40 0.69 0.01 0.50 -0.34 0.00 0.00 178.44 179.70 2yxt h LYS 253 N 0.96 0.09 -0.16 1.25 3.64 -1.95 -0.75 116.57 119.65 2yxt h LYS 253 Ca 0.24 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.57 2yxt h LYS 253 Cb 0.03 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2yxt h LYS 253 CO -0.04 0.06 -0.07 0.28 -2.27 0.00 0.00 179.45 177.41 2yxt h VAL 254 N 0.09 1.31 -0.53 2.00 2.07 -1.90 -1.27 116.25 118.02 2yxt h VAL 254 Ca 0.12 -1.10 0.10 0.00 0.82 0.00 0.00 66.70 66.63 2yxt h VAL 254 Cb 0.14 1.70 -0.08 0.00 -1.52 0.00 0.00 31.29 31.53 2yxt h VAL 254 CO -0.19 0.33 0.07 0.00 0.02 0.00 0.00 177.57 177.80 2yxt h ALA 255 N 0.68 0.58 -0.52 1.67 0.00 -1.25 -0.97 119.26 119.44 2yxt h ALA 255 Ca 0.04 0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 2yxt h ALA 255 Cb 0.54 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2yxt h ALA 255 CO 0.02 -0.34 -0.09 0.00 0.00 0.00 0.00 179.25 178.85 2yxt h GLU 257 N 0.86 0.37 0.03 0.00 5.08 -0.67 -0.86 114.58 119.38 2yxt h GLU 257 Ca 0.14 -0.08 -0.20 0.00 -1.00 0.00 0.00 59.36 58.22 2yxt h GLU 257 Cb 0.65 -0.05 0.02 0.00 0.50 0.00 0.00 28.75 29.86 2yxt h GLU 257 CO 0.04 0.44 -0.79 0.87 -1.00 0.00 0.00 179.01 178.58 2yxt h LYS 258 N 0.36 0.49 0.19 2.33 1.57 -1.11 -1.18 116.57 119.21 2yxt h LYS 258 Ca 0.08 -0.56 -0.01 0.00 -1.87 0.00 0.00 60.65 58.29 2yxt h LYS 258 Cb 0.33 0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.81 2yxt h LYS 258 CO 0.01 1.20 -0.09 1.15 -0.57 0.00 0.00 179.45 181.15 2yxt h THR 259 N 0.02 0.86 -0.73 -0.16 2.02 -1.24 0.01 112.91 113.69 2yxt h THR 259 Ca -0.11 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 66.86 2yxt h THR 259 Cb 1.50 0.99 -0.04 0.00 -1.74 0.00 0.00 68.15 68.86 2yxt h THR 259 CO 0.15 0.05 0.46 0.58 0.37 0.00 0.00 175.52 177.13 2yxt h VAL 260 N -0.35 1.20 -0.69 3.16 2.07 -1.23 -1.82 116.25 118.58 2yxt h VAL 260 Ca -0.03 -0.42 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 2yxt h VAL 260 Cb 0.27 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.18 2yxt h VAL 260 CO 0.04 0.21 0.32 0.28 0.02 0.00 0.00 177.57 178.44 2yxt h SER 261 N 1.00 0.92 -0.53 0.57 0.02 -1.07 -0.44 113.55 114.02 2yxt h SER 261 Ca 0.26 -0.14 0.03 0.00 -0.84 0.00 0.00 61.79 61.10 2yxt h SER 261 Cb -0.06 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.21 2yxt h SER 261 CO -0.05 0.80 0.30 0.74 -1.14 0.00 0.00 176.83 177.49 2yxt h THR 262 N 0.97 1.03 -0.56 -2.27 2.02 -0.45 -1.34 112.91 112.31 2yxt h THR 262 Ca 0.24 -0.21 0.01 0.00 0.77 0.00 0.00 66.41 67.22 2yxt h THR 262 Cb 0.14 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 66.90 2yxt h THR 262 CO -0.03 0.11 0.37 -0.07 0.37 0.00 0.00 175.52 176.27 2yxt h LEU 263 N 0.60 0.64 0.11 2.58 -0.00 -0.74 -1.63 115.31 116.88 2yxt h LEU 263 Ca 0.22 -0.01 0.02 0.00 -0.00 0.00 0.00 57.88 58.10 2yxt h LEU 263 Cb 0.05 -0.16 -0.03 0.00 -0.00 0.00 0.00 40.66 40.52 2yxt h LEU 263 CO -0.11 0.46 -0.22 -0.74 -0.00 0.00 0.00 178.44 177.83 2yxt h HIS 264 N 0.75 -0.58 -0.90 1.13 2.76 -0.48 -0.05 115.15 117.79 2yxt h HIS 264 Ca 0.21 0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.43 2yxt h HIS 264 Cb -0.08 0.24 -0.06 0.00 1.55 0.00 0.00 27.41 29.07 2yxt h HIS 264 CO -0.04 -0.31 0.58 0.45 -1.30 0.00 0.00 177.93 177.30 2yxt h HIS 265 N -0.41 1.08 0.01 5.26 3.86 -1.05 0.12 115.15 124.02 2yxt h HIS 265 Ca 0.03 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.27 2yxt h HIS 265 Cb 0.43 -0.35 0.00 0.00 1.06 0.00 0.00 27.41 28.55 2yxt h HIS 265 CO -0.21 0.59 -0.01 0.28 0.86 0.00 0.00 177.93 179.45 2yxt h VAL 266 N 1.09 1.24 -0.78 2.45 2.07 -1.03 -2.55 116.25 118.74 2yxt h VAL 266 Ca 0.37 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 67.15 2yxt h VAL 266 Cb 0.07 1.74 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 2yxt h VAL 266 CO -0.14 0.19 0.51 -0.07 0.02 0.00 0.00 177.57 178.08 2yxt h LEU 267 N -0.34 0.91 -0.22 2.57 3.38 -0.76 -0.91 115.31 119.94 2yxt h LEU 267 Ca -0.00 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2yxt h LEU 267 Cb 0.33 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2yxt h LEU 267 CO 0.00 0.67 0.12 -0.61 0.09 0.00 0.00 178.44 178.71 2yxt h GLN 268 N 1.06 0.31 -0.56 1.13 5.75 -0.77 0.13 115.11 122.17 2yxt h GLN 268 Ca 0.29 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.73 2yxt h GLN 268 Cb -0.10 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.36 2yxt h GLN 268 CO -0.06 0.29 0.25 -0.09 -2.65 0.00 0.00 178.83 176.57 2yxt h ARG 269 N 0.25 0.79 -0.20 1.69 2.43 -1.25 -1.06 114.38 117.04 2yxt h ARG 269 Ca 0.08 -0.10 -0.09 0.00 -0.81 0.00 0.00 59.98 59.05 2yxt h ARG 269 Cb 0.07 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 2yxt h ARG 269 CO -0.01 0.62 -0.29 1.15 -1.51 0.00 0.00 179.97 179.93 2yxt h THR 270 N 0.78 1.27 -0.07 0.20 2.02 -0.23 -2.73 112.91 114.15 2yxt h THR 270 Ca 0.19 -1.29 -0.16 0.00 0.77 0.00 0.00 66.41 65.93 2yxt h THR 270 Cb 0.11 1.44 0.01 0.00 -1.74 0.00 0.00 68.15 67.96 2yxt h THR 270 CO -0.02 0.40 -0.57 0.40 0.37 0.00 0.00 175.52 176.10 2yxt h ILE 271 N 0.34 1.38 -0.41 3.11 2.04 0.42 -1.58 117.51 122.80 2yxt h ILE 271 Ca 0.05 -1.92 0.01 0.00 1.00 0.00 0.00 64.86 63.99 2yxt h ILE 271 Cb 0.68 2.31 -0.02 0.00 -0.74 0.00 0.00 36.82 39.05 2yxt h ILE 271 CO 0.05 0.57 0.26 1.56 0.00 0.00 0.00 178.15 180.59 2yxt h GLN 272 N 0.09 0.51 0.67 2.37 1.08 -1.26 -1.51 115.11 117.06 2yxt h GLN 272 Ca -0.05 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.09 2yxt h GLN 272 Cb 1.23 -0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 28.54 2yxt h GLN 272 CO 0.12 0.34 -0.40 0.00 -0.95 0.00 0.00 178.83 177.94 2yxt h ALA 274 N -1.35 2.11 -0.27 0.00 0.00 -1.18 0.38 119.26 118.94 2yxt h ALA 274 Ca -0.09 0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2yxt h ALA 274 Cb 0.79 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2yxt h ALA 274 CO 0.10 -0.75 0.01 0.87 0.00 0.00 0.00 179.25 179.48 2yxt h LYS 275 N 0.24 0.47 0.00 0.00 1.57 -1.07 -2.85 116.57 114.93 2yxt h LYS 275 Ca 0.76 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 59.40 2yxt h LYS 275 Cb 1.89 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 34.16 2yxt h LYS 275 CO -0.59 0.62 0.00 0.00 -0.57 0.00 0.00 179.45 178.90 2yxt n ALA 276 N -2.34 1.99 -0.22 3.86 0.00 0.13 -5.07 120.51 118.86 2yxt n ALA 276 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2yxt n ALA 276 Cb 0.24 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.61 2yxt n ALA 276 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2yxt n GLN 277 N -0.66 0.00 -3.66 0.00 6.02 -1.08 -5.08 117.38 112.93 2yxt n GLN 277 Ca 0.03 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 56.96 2yxt n GLN 277 Cb 0.02 0.00 -0.08 0.00 1.02 0.00 0.00 30.24 31.20 2yxt n GLN 277 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.06 173.91 2yxt s PRO 284 N -0.78 0.46 1.03 -1.09 0.02 -1.26 -5.11 135.00 128.26 2yxt s PRO 284 Ca 0.00 1.16 -0.15 0.00 0.02 0.00 0.00 61.00 62.03 2yxt s PRO 284 Cb 0.00 0.44 0.21 0.00 0.02 0.00 0.00 34.50 35.16 2yxt s PRO 284 CO 0.00 -0.21 1.17 -1.54 -0.33 0.00 0.00 177.00 176.09 2yxt s SER 285 N 2.43 2.50 0.55 2.53 1.04 -1.26 -4.80 113.70 116.69 2yxt s SER 285 Ca -0.05 0.70 0.25 0.00 0.48 0.00 0.00 55.95 57.33 2yxt s SER 285 Cb -0.11 -1.04 1.46 0.00 0.10 0.00 0.00 66.02 66.44 2yxt s SER 285 CO -0.16 -3.15 2.04 -0.65 0.98 0.00 0.00 173.24 172.30 2yxt h PRO 286 N -1.92 0.00 -0.22 4.02 0.11 -1.96 0.78 132.00 132.82 2yxt h PRO 286 Ca -0.47 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.54 2yxt h PRO 286 Cb 1.30 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 2yxt h PRO 286 CO 0.47 0.00 -0.28 1.98 -0.21 0.00 0.00 178.00 179.95 2yxt h MET 287 N 0.00 0.42 0.00 1.05 4.05 -1.98 -2.17 114.93 116.30 2yxt h MET 287 Ca 0.16 -0.17 -0.05 0.00 -0.28 0.00 0.00 59.70 59.37 2yxt h MET 287 Cb 0.71 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.49 2yxt h MET 287 CO -0.00 0.67 -0.24 1.96 0.23 0.00 0.00 176.91 179.53 2yxt h GLN 288 N 0.37 0.00 -0.58 0.39 1.08 -1.17 -3.13 115.11 112.07 2yxt h GLN 288 Ca 0.05 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 2yxt h GLN 288 Cb 0.69 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.12 2yxt h GLN 288 CO 0.05 0.24 0.00 1.28 -0.95 0.00 0.00 178.83 179.45 2yxt n LEU 289 N -3.35 3.28 -4.76 1.46 4.77 -0.83 -4.20 117.00 113.36 2yxt n LEU 289 Ca 0.00 -1.61 -0.41 0.00 -0.03 0.00 0.00 56.01 53.97 2yxt n LEU 289 Cb 0.46 -0.39 -0.01 0.00 -2.33 0.00 0.00 43.42 41.15 2yxt n LEU 289 CO 0.34 0.80 1.12 -1.61 -1.33 0.00 0.00 177.39 176.71 2yxt s GLU 290 N -1.23 4.20 0.19 3.23 0.41 -1.11 -4.70 118.70 119.70 2yxt s GLU 290 Ca 0.41 2.43 -0.33 0.00 -0.41 0.00 0.00 54.97 57.07 2yxt s GLU 290 Cb 0.22 -3.04 -0.14 0.00 -1.78 0.00 0.00 34.13 29.39 2yxt s GLU 290 CO 0.29 -0.45 1.53 1.28 -0.49 0.00 0.00 175.26 177.42 2yxt n LEU 291 N 1.36 3.15 -4.09 1.80 4.77 -1.26 -4.83 117.00 117.89 2yxt n LEU 291 Ca 0.04 1.10 -0.43 0.00 -0.03 0.00 0.00 56.01 56.69 2yxt n LEU 291 Cb 0.40 -1.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.05 2yxt n LEU 291 CO 0.62 -0.32 2.29 0.54 -1.33 0.00 0.00 177.39 179.19 2yxt n ARG 292 N 3.01 3.08 0.19 3.23 5.12 -1.26 -4.77 116.66 125.26 2yxt n ARG 292 Ca 0.15 -3.00 -0.12 0.00 -1.93 0.00 0.00 57.85 52.94 2yxt n ARG 292 Cb 0.30 -3.31 -0.07 0.00 -1.16 0.00 0.00 32.46 28.21 2yxt n ARG 292 CO 0.00 0.00 0.00 1.98 -1.93 0.00 0.00 177.63 177.68 2yxt h MET 293 N 6.60 -0.50 -0.27 5.56 4.05 -1.93 -3.08 114.93 125.35 2yxt h MET 293 Ca 0.50 0.03 -0.05 0.00 -0.28 0.00 0.00 59.70 59.90 2yxt h MET 293 Cb 0.73 0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.63 2yxt h MET 293 CO 1.67 -0.19 -0.03 -0.39 0.23 0.00 0.00 176.91 178.20 2yxt h VAL 294 N -0.94 1.18 0.00 -5.77 -1.51 -2.01 -0.12 116.25 107.08 2yxt h VAL 294 Ca -0.05 -0.75 0.00 0.00 -1.23 0.00 0.00 66.70 64.67 2yxt h VAL 294 Cb 0.54 1.02 0.00 0.00 -2.13 0.00 0.00 31.29 30.72 2yxt h VAL 294 CO 0.09 0.25 0.00 0.00 -1.23 0.00 0.00 177.57 176.68 2yxt n GLN 295 N -4.29 0.50 -0.29 5.19 3.00 -1.25 -3.06 117.38 117.18 2yxt n GLN 295 Ca 0.01 0.04 0.08 0.00 -0.01 0.00 0.00 57.00 57.12 2yxt n GLN 295 Cb 0.24 -1.50 0.24 0.00 0.00 0.00 0.00 30.24 29.22 2yxt n GLN 295 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 2yxt n SER 296 N -1.19 3.50 -0.32 1.08 7.64 -0.06 -4.65 113.62 119.61 2yxt n SER 296 Ca 0.14 -2.06 0.11 0.00 1.01 0.00 0.00 58.87 58.08 2yxt n SER 296 Cb 0.16 -0.37 0.24 0.00 -1.01 0.00 0.00 64.21 63.23 2yxt n SER 296 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2yxt h LYS 297 N 3.08 0.04 -0.46 1.43 3.64 -1.55 -0.29 116.57 122.47 2yxt h LYS 297 Ca 0.00 -0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.26 2yxt h LYS 297 Cb 0.90 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.70 2yxt h LYS 297 CO 0.02 0.03 -0.17 -0.09 -2.27 0.00 0.00 179.45 176.97 2yxt h ARG 298 N 0.04 0.88 0.00 1.90 9.65 -1.89 -1.76 114.38 123.20 2yxt h ARG 298 Ca 0.54 -0.34 -0.06 0.00 -1.10 0.00 0.00 59.98 59.02 2yxt h ARG 298 Cb 1.05 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.57 2yxt h ARG 298 CO -0.86 0.98 -0.29 -0.44 2.80 0.00 0.00 179.97 182.16 2yxt h ASP 299 N 0.78 0.00 0.01 -3.80 3.32 -1.38 -1.81 116.42 113.54 2yxt h ASP 299 Ca 0.12 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.90 2yxt h ASP 299 Cb 0.70 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.27 2yxt h ASP 299 CO 0.05 0.29 -1.03 0.40 -1.72 0.00 0.00 179.24 177.24 2yxt h ILE 300 N 0.00 1.29 -0.57 0.35 2.04 -0.96 -2.38 117.51 117.28 2yxt h ILE 300 Ca -0.00 -2.25 -0.00 0.00 1.00 0.00 0.00 64.86 63.60 2yxt h ILE 300 Cb 0.54 2.43 -0.03 0.00 -0.74 0.00 0.00 36.82 39.02 2yxt h ILE 300 CO 0.04 0.69 0.34 -0.33 0.00 0.00 0.00 178.15 178.89 2yxt h GLU 301 N 0.35 0.78 -1.17 2.37 5.08 -0.67 -3.40 114.58 117.91 2yxt h GLU 301 Ca -0.13 -0.07 -0.16 0.00 -1.00 0.00 0.00 59.36 58.00 2yxt h GLU 301 Cb 1.69 -0.16 -0.20 0.00 0.50 0.00 0.00 28.75 30.58 2yxt h GLU 301 CO 0.20 0.57 -0.52 0.34 -1.00 0.00 0.00 179.01 178.60 2yxt s ASP 302 N -5.81 -1.07 0.17 1.42 2.15 -0.74 -5.06 116.67 107.72 2yxt s ASP 302 Ca -0.13 -1.38 -0.30 0.00 0.43 0.00 0.00 52.55 51.16 2yxt s ASP 302 Cb 0.13 1.67 -0.08 0.00 -0.30 0.00 0.00 42.92 44.34 2yxt s ASP 302 CO 0.76 -0.13 1.16 -2.16 -0.17 0.00 0.00 175.17 174.63 2yxt s PRO 303 N 1.30 4.53 0.10 4.34 0.04 -0.90 -4.70 135.00 139.70 2yxt s PRO 303 Ca 0.23 1.80 -0.31 0.00 0.04 0.00 0.00 61.00 62.76 2yxt s PRO 303 Cb -0.03 -3.27 -0.07 0.00 0.04 0.00 0.00 34.50 31.17 2yxt s PRO 303 CO -0.06 -0.04 1.32 -2.00 0.04 0.00 0.00 177.00 176.26 2yxt s GLU 304 N -0.15 4.36 0.11 4.56 2.12 -1.26 -4.95 118.70 123.48 2yxt s GLU 304 Ca 0.52 1.97 -0.31 0.00 0.36 0.00 0.00 54.97 57.51 2yxt s GLU 304 Cb -0.31 -3.28 -0.08 0.00 0.26 0.00 0.00 34.13 30.72 2yxt s GLU 304 CO 0.35 -0.37 1.40 0.42 -0.54 0.00 0.00 175.26 176.52 2yxt s ILE 305 N 1.08 3.27 0.00 -3.70 -1.09 -1.26 -4.85 121.20 114.65 2yxt s ILE 305 Ca 0.62 0.90 0.00 0.00 -2.23 0.00 0.00 60.65 59.95 2yxt s ILE 305 Cb -0.34 -3.58 0.00 0.00 -1.58 0.00 0.00 42.46 36.96 2yxt s ILE 305 CO 0.30 0.07 0.51 1.33 -1.23 0.00 0.00 174.94 175.92 2yxt n VAL 306 N 3.97 0.18 -3.89 2.92 0.24 -1.26 -5.00 118.33 115.49 2yxt n VAL 306 Ca 0.12 -0.48 -0.11 0.00 -2.04 0.00 0.00 64.34 61.82 2yxt n VAL 306 Cb 0.42 1.07 -0.13 0.00 -1.47 0.00 0.00 33.84 33.73 2yxt n VAL 306 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2yxt s VAL 307 N -0.18 0.02 -0.10 3.34 0.11 -1.26 -5.08 120.40 117.25 2yxt s VAL 307 Ca 0.00 -0.20 0.03 0.00 -2.93 0.00 0.00 61.98 58.89 2yxt s VAL 307 Cb 0.00 -0.08 -0.00 0.00 -1.53 0.00 0.00 36.38 34.77 2yxt s VAL 307 CO 0.00 -0.11 -0.22 -1.10 -3.33 0.00 0.00 175.10 170.34 2yxt s GLN 308 N -0.32 3.07 0.36 1.54 -0.21 -1.26 -4.86 119.66 117.98 2yxt s GLN 308 Ca -0.04 -0.85 -0.19 0.00 0.02 0.00 0.00 55.36 54.30 2yxt s GLN 308 Cb -0.02 -2.35 -0.10 0.00 1.00 0.00 0.00 33.01 31.54 2yxt s GLN 308 CO -0.00 0.20 0.85 0.00 -2.12 0.00 0.00 175.29 174.22 2yxt s ALA 309 N 0.30 3.20 -0.02 6.09 0.00 -1.26 -4.81 121.76 125.25 2yxt s ALA 309 Ca -0.16 0.27 -0.08 0.00 0.00 0.00 0.00 51.96 51.99 2yxt s ALA 309 Cb -0.17 -2.99 -0.05 0.00 0.00 0.00 0.00 23.12 19.91 2yxt s ALA 309 CO 0.08 0.23 0.26 0.95 0.00 0.00 0.00 175.76 177.28 2yxt s THR 310 N -1.97 5.30 -0.15 0.00 -4.23 0.02 -4.92 115.64 109.70 2yxt s THR 310 Ca 0.56 0.28 -0.26 0.00 -1.18 0.00 0.00 61.69 61.09 2yxt s THR 310 Cb -0.11 -3.55 -0.02 0.00 1.34 0.00 0.00 72.50 70.16 2yxt s THR 310 CO 0.17 0.46 0.84 -0.69 -0.54 0.00 0.00 174.62 174.86 2yxt s VAL 311 N -1.21 4.88 -1.85 2.29 1.01 -1.26 -0.86 120.40 123.41 2yxt s VAL 311 Ca 0.24 1.68 0.15 0.00 0.00 0.00 0.00 61.98 64.05 2yxt s VAL 311 Cb -0.13 -4.15 0.12 0.00 0.00 0.00 0.00 36.38 32.21 2yxt s VAL 311 CO 0.13 0.05 0.97 0.18 0.00 0.00 0.00 175.10 176.43