#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rbu n LEU 4 N 0.00 -0.06 -4.39 3.22 4.77 -1.24 -5.01 117.00 114.29 2rbu n LEU 4 Ca 0.00 0.53 -0.34 0.00 -0.03 0.00 0.00 56.01 56.18 2rbu n LEU 4 Cb 0.00 -0.43 -0.14 0.00 -2.33 0.00 0.00 43.42 40.53 2rbu n LEU 4 CO 0.00 -0.93 -0.40 -0.69 -1.33 0.00 0.00 177.39 174.03 2rbu s VAL 5 N -0.05 3.38 -0.30 4.08 1.01 -1.26 -4.80 120.40 122.46 2rbu s VAL 5 Ca 0.41 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.86 2rbu s VAL 5 Cb -0.57 -2.47 0.06 0.00 0.00 0.00 0.00 36.38 33.40 2rbu s VAL 5 CO 0.26 0.49 -0.01 -1.00 0.00 0.00 0.00 175.10 174.84 2rbu s HIS 6 N 0.70 3.35 -0.18 5.22 3.76 -1.26 -5.05 115.29 121.83 2rbu s HIS 6 Ca -0.04 -2.17 -0.15 0.00 -0.15 0.00 0.00 55.06 52.55 2rbu s HIS 6 Cb -0.15 -2.24 -0.04 0.00 1.11 0.00 0.00 32.58 31.26 2rbu s HIS 6 CO 0.02 -0.86 0.34 0.08 -0.85 0.00 0.00 174.74 173.48 2rbu s VAL 7 N 1.16 5.26 0.25 -0.90 1.01 -1.26 -0.45 120.40 125.47 2rbu s VAL 7 Ca -0.04 0.63 -0.31 0.00 0.00 0.00 0.00 61.98 62.26 2rbu s VAL 7 Cb -0.20 -3.68 -0.11 0.00 0.00 0.00 0.00 36.38 32.39 2rbu s VAL 7 CO -0.03 0.33 1.62 0.00 0.00 0.00 0.00 175.10 177.01 2rbu s ALA 8 N 0.83 3.80 -0.18 5.51 0.00 0.15 -4.89 121.76 126.97 2rbu s ALA 8 Ca 0.18 1.54 -0.03 0.00 0.00 0.00 0.00 51.96 53.65 2rbu s ALA 8 Cb -0.14 -3.65 0.06 0.00 0.00 0.00 0.00 23.12 19.39 2rbu s ALA 8 CO 0.06 -0.92 0.03 0.45 0.00 0.00 0.00 175.76 175.37 2rbu s SER 9 N 0.76 2.79 0.19 0.00 0.15 0.06 -4.67 113.70 112.97 2rbu s SER 9 Ca 0.67 -0.75 -0.32 0.00 0.70 0.00 0.00 55.95 56.25 2rbu s SER 9 Cb -0.47 -0.59 -0.11 0.00 -1.71 0.00 0.00 66.02 63.13 2rbu s SER 9 CO 0.41 -0.29 1.73 -0.69 1.20 0.00 0.00 173.24 175.59 2rbu s VAL 10 N 1.86 2.19 0.12 4.45 1.01 -1.26 -4.28 120.40 124.49 2rbu s VAL 10 Ca -0.00 0.07 -0.35 0.00 0.00 0.00 0.00 61.98 61.70 2rbu s VAL 10 Cb -0.17 -3.05 -0.16 0.00 0.00 0.00 0.00 36.38 33.01 2rbu s VAL 10 CO -0.08 0.00 1.36 -0.62 0.00 0.00 0.00 175.10 175.77 2rbu n GLU 11 N 4.31 1.37 -1.70 2.72 4.71 -1.26 -4.67 120.64 126.12 2rbu n GLU 11 Ca 0.16 0.49 -0.53 0.00 -0.01 0.00 0.00 57.16 57.27 2rbu n GLU 11 Cb 0.36 -2.14 -0.06 0.00 -1.01 0.00 0.00 31.44 28.59 2rbu n GLU 11 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 2rbu n LYS 12 N 2.55 1.60 -0.93 3.49 3.00 -1.26 -1.35 118.16 125.26 2rbu n LYS 12 Ca 0.17 0.59 0.00 0.00 -0.00 0.00 0.00 58.31 59.07 2rbu n LYS 12 Cb 0.22 -2.34 0.00 0.00 0.00 0.00 0.00 35.03 32.91 2rbu n LYS 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2rbu n GLY 13 N 4.26 0.80 3.84 3.14 0.00 -1.26 -5.00 105.19 110.97 2rbu n GLY 13 Ca 0.25 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.94 2rbu n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2rbu s ARG 14 N -0.17 4.09 0.24 1.61 1.81 -0.46 -5.08 118.95 120.99 2rbu s ARG 14 Ca 0.00 0.85 0.04 0.00 -1.72 0.00 0.00 55.73 54.90 2rbu s ARG 14 Cb 0.00 -2.33 -0.01 0.00 -0.45 0.00 0.00 34.95 32.15 2rbu s ARG 14 CO 0.00 0.08 0.23 -1.13 -0.68 0.00 0.00 175.30 173.81 2rbu n SER 15 N -0.48 -0.61 -0.25 0.23 3.41 -1.26 -4.89 113.62 109.76 2rbu n SER 15 Ca 0.05 -2.52 0.04 0.00 -0.26 0.00 0.00 58.87 56.18 2rbu n SER 15 Cb 0.53 1.33 0.14 0.00 -0.26 0.00 0.00 64.21 65.96 2rbu n SER 15 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 2rbu h TYR 16 N 1.76 -0.10 -0.95 7.33 3.20 -1.99 -1.29 116.97 124.91 2rbu h TYR 16 Ca -0.17 0.06 0.06 0.00 3.14 0.00 0.00 58.73 61.82 2rbu h TYR 16 Cb 0.85 0.16 -0.06 0.00 1.54 0.00 0.00 36.73 39.23 2rbu h TYR 16 CO 0.00 -0.25 0.62 1.49 -1.64 0.00 0.00 178.16 178.38 2rbu h GLU 17 N 0.08 1.08 -0.49 1.82 4.81 -1.98 0.05 114.58 119.95 2rbu h GLU 17 Ca 0.40 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.57 2rbu h GLU 17 Cb 0.69 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 2rbu h GLU 17 CO -0.67 0.71 0.32 -0.44 -0.73 0.00 0.00 179.01 178.20 2rbu h ASP 18 N 1.11 0.55 0.48 1.04 3.32 -1.64 -1.83 116.42 119.45 2rbu h ASP 18 Ca 0.41 -0.01 -0.17 0.00 0.02 0.00 0.00 57.03 57.28 2rbu h ASP 18 Cb 0.16 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 2rbu h ASP 18 CO -0.15 0.40 -0.72 -0.26 -1.72 0.00 0.00 179.24 176.78 2rbu h PHE 19 N 0.65 0.27 -0.55 4.55 0.04 -1.21 -2.50 116.94 118.19 2rbu h PHE 19 Ca 0.18 -0.12 -0.02 0.00 2.80 0.00 0.00 57.97 60.81 2rbu h PHE 19 Cb -0.07 -0.04 -0.03 0.00 2.20 0.00 0.00 35.95 38.02 2rbu h PHE 19 CO -0.04 0.85 0.26 0.37 -0.60 0.00 0.00 178.31 179.14 2rbu h GLN 20 N 0.13 0.77 -0.75 1.51 5.75 -0.86 0.68 115.11 122.35 2rbu h GLN 20 Ca -0.02 -0.10 -0.03 0.00 -0.15 0.00 0.00 58.65 58.35 2rbu h GLN 20 Cb 1.28 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 29.64 2rbu h GLN 20 CO 0.11 0.61 0.34 0.87 -2.65 0.00 0.00 178.83 178.11 2rbu h LYS 21 N 0.78 1.09 -0.05 1.69 1.57 -0.90 0.59 116.57 121.34 2rbu h LYS 21 Ca 0.19 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2rbu h LYS 21 Cb 0.09 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 2rbu h LYS 21 CO -0.03 0.86 -0.00 0.28 -0.57 0.00 0.00 179.45 179.99 2rbu h VAL 22 N 1.06 1.26 -0.59 0.50 2.07 -1.10 -1.12 116.25 118.33 2rbu h VAL 22 Ca 0.26 -0.79 0.12 0.00 0.82 0.00 0.00 66.70 67.10 2rbu h VAL 22 Cb 0.14 1.70 -0.12 0.00 -1.52 0.00 0.00 31.29 31.50 2rbu h VAL 22 CO -0.03 0.22 -0.22 0.22 0.02 0.00 0.00 177.57 177.78 2rbu h TYR 23 N -0.22 -0.54 -0.76 1.57 5.03 -0.78 -0.71 116.97 120.57 2rbu h TYR 23 Ca 0.01 0.06 0.00 0.00 2.58 0.00 0.00 58.73 61.39 2rbu h TYR 23 Cb 0.34 0.33 -0.04 0.00 1.55 0.00 0.00 36.73 38.91 2rbu h TYR 23 CO 0.04 -0.31 0.49 -0.91 -1.32 0.00 0.00 178.16 176.14 2rbu h ASN 24 N -0.07 0.89 -0.43 -2.11 -0.26 -0.64 0.68 115.58 113.64 2rbu h ASN 24 Ca 0.27 -0.04 -0.02 0.00 -0.56 0.00 0.00 56.30 55.96 2rbu h ASN 24 Cb 0.49 -0.22 -0.02 0.00 -1.06 0.00 0.00 38.32 37.51 2rbu h ASN 24 CO -0.64 0.66 0.20 0.00 -1.06 0.00 0.00 177.43 176.59 2rbu h ALA 25 N 1.26 0.55 -0.09 -0.83 0.00 -0.47 0.20 119.26 119.87 2rbu h ALA 25 Ca 0.28 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.09 2rbu h ALA 25 Cb -0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2rbu h ALA 25 CO -0.06 0.11 0.00 0.82 0.00 0.00 0.00 179.25 180.13 2rbu h ILE 26 N 0.55 0.94 -0.76 0.00 2.04 -0.81 -2.01 117.51 117.46 2rbu h ILE 26 Ca 0.15 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.98 2rbu h ILE 26 Cb 0.12 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 2rbu h ILE 26 CO -0.02 0.01 0.42 0.00 0.00 0.00 0.00 178.15 178.56 2rbu h ALA 27 N 1.08 0.97 -0.52 1.87 0.00 -0.58 0.13 119.26 122.20 2rbu h ALA 27 Ca 0.04 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 2rbu h ALA 27 Cb 0.05 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2rbu h ALA 27 CO -0.07 0.47 -0.05 -0.07 0.00 0.00 0.00 179.25 179.54 2rbu h LEU 28 N 1.05 0.91 -0.65 0.00 3.38 -0.54 -1.67 115.31 117.78 2rbu h LEU 28 Ca 0.27 -0.26 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 2rbu h LEU 28 Cb 0.02 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 2rbu h LEU 28 CO -0.04 0.99 -0.51 0.50 0.09 0.00 0.00 178.44 179.47 2rbu h LYS 29 N 0.84 0.43 -0.76 1.13 3.64 -0.99 -0.79 116.57 120.07 2rbu h LYS 29 Ca 0.15 -0.25 0.03 0.00 -1.27 0.00 0.00 60.65 59.30 2rbu h LYS 29 Cb 0.56 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.36 2rbu h LYS 29 CO 0.03 0.84 0.48 -0.07 -2.27 0.00 0.00 179.45 178.47 2rbu h LEU 30 N 0.34 0.80 -0.50 5.20 3.38 -0.46 -0.07 115.31 124.01 2rbu h LEU 30 Ca 0.01 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 2rbu h LEU 30 Cb 1.02 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 2rbu h LEU 30 CO 0.09 0.56 -0.28 -0.09 0.09 0.00 0.00 178.44 178.81 2rbu h ARG 31 N 0.95 0.93 -0.05 1.13 2.43 -1.03 -3.32 114.38 115.41 2rbu h ARG 31 Ca 0.30 -0.43 -0.03 0.00 -0.81 0.00 0.00 59.98 59.01 2rbu h ARG 31 Cb -0.00 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.53 2rbu h ARG 31 CO -0.10 1.08 -0.09 1.49 -1.51 0.00 0.00 179.97 180.84 2rbu h GLU 32 N 0.78 0.16 -2.54 0.20 4.57 -0.82 -3.35 114.58 113.58 2rbu h GLU 32 Ca 0.09 -0.10 -0.69 0.00 -1.18 0.00 0.00 59.36 57.49 2rbu h GLU 32 Cb 0.85 0.01 -0.12 0.00 -0.16 0.00 0.00 28.75 29.34 2rbu h GLU 32 CO 0.08 0.66 2.17 -0.25 -1.18 0.00 0.00 179.01 180.49 2rbu n ASP 33 N -4.69 7.82 0.16 1.04 8.00 -0.07 -4.69 116.55 124.12 2rbu n ASP 33 Ca -0.08 -3.09 0.13 0.00 0.71 0.00 0.00 54.79 52.46 2rbu n ASP 33 Cb 0.33 -1.36 0.39 0.00 -0.02 0.00 0.00 41.12 40.47 2rbu n ASP 33 CO 0.00 0.00 0.00 -2.24 -0.39 0.00 0.00 177.20 174.57 2rbu h ASP 34 N 4.35 0.00 1.25 -2.24 2.03 -1.75 -3.27 116.42 116.79 2rbu h ASP 34 Ca 0.66 0.00 -0.10 0.00 -0.73 0.00 0.00 57.03 56.86 2rbu h ASP 34 Cb 0.39 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.88 2rbu h ASP 34 CO 1.38 0.00 -0.47 -0.08 -1.03 0.00 0.00 179.24 179.04 2rbu h GLU 35 N 0.00 0.00 -6.40 4.15 4.81 -1.91 -3.33 114.58 111.90 2rbu h GLU 35 Ca 0.00 0.00 -0.63 0.00 -0.13 0.00 0.00 59.36 58.60 2rbu h GLU 35 Cb 0.72 0.00 0.09 0.00 0.63 0.00 0.00 28.75 30.19 2rbu h GLU 35 CO 0.00 0.47 0.26 0.98 -0.73 0.00 0.00 179.01 179.99 2rbu n TYR 36 N -3.33 1.36 -3.50 0.92 9.36 -1.23 -1.33 117.16 119.41 2rbu n TYR 36 Ca 0.01 0.66 -0.24 0.00 3.32 0.00 0.00 57.90 61.66 2rbu n TYR 36 Cb 0.66 -2.29 0.05 0.00 -0.63 0.00 0.00 39.34 37.14 2rbu n TYR 36 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 2rbu n ASP 37 N 1.81 -5.43 -3.97 2.98 2.03 -1.26 -1.18 116.55 111.54 2rbu n ASP 37 Ca 0.13 -0.87 -0.29 0.00 0.52 0.00 0.00 54.79 54.29 2rbu n ASP 37 Cb 0.27 -4.22 -0.00 0.00 -0.72 0.00 0.00 41.12 36.46 2rbu n ASP 37 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2rbu n ASN 38 N -2.94 -2.32 -0.50 1.67 3.02 -1.18 -2.13 115.26 110.89 2rbu n ASN 38 Ca -0.11 -0.92 -0.06 0.00 -0.03 0.00 0.00 54.58 53.46 2rbu n ASN 38 Cb 0.61 -3.37 -0.03 0.00 -0.61 0.00 0.00 39.78 36.39 2rbu n ASN 38 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2rbu n TYR 39 N -4.45 0.00 -0.05 3.10 4.02 -0.44 -3.29 117.16 116.05 2rbu n TYR 39 Ca -0.13 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.65 2rbu n TYR 39 Cb 0.60 -1.48 0.02 0.00 -0.02 0.00 0.00 39.34 38.45 2rbu n TYR 39 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 2rbu h ILE 40 N 0.00 1.29 0.00 -0.72 2.04 -0.92 -3.47 117.51 115.73 2rbu h ILE 40 Ca -0.13 -1.69 0.00 0.00 1.00 0.00 0.00 64.86 64.04 2rbu h ILE 40 Cb 0.50 1.60 0.00 0.00 -0.74 0.00 0.00 36.82 38.19 2rbu h ILE 40 CO 0.19 0.54 0.00 0.61 0.00 0.00 0.00 178.15 179.50 2rbu n GLY 41 N 0.22 -1.01 0.35 5.37 0.00 -0.33 -4.64 105.19 105.15 2rbu n GLY 41 Ca -0.03 -1.65 0.15 0.00 0.00 0.00 0.00 46.02 44.49 2rbu n GLY 41 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2rbu n TYR 42 N -1.08 0.00 0.07 1.61 4.02 -1.26 -4.39 117.16 116.12 2rbu n TYR 42 Ca 0.00 -0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.77 2rbu n TYR 42 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.24 2rbu n TYR 42 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 2rbu h GLY 43 N 4.90 -1.19 0.60 2.72 0.00 -1.93 -1.90 103.07 106.28 2rbu h GLY 43 Ca 0.00 0.63 0.05 0.00 0.00 0.00 0.00 47.33 48.02 2rbu h GLY 43 CO 0.00 -0.31 0.14 -2.55 0.00 0.00 0.00 176.54 173.82 2rbu h PRO 44 N -0.55 0.29 -0.05 4.80 0.11 -1.90 -2.16 132.00 132.55 2rbu h PRO 44 Ca 0.00 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.04 2rbu h PRO 44 Cb 0.57 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.60 2rbu h PRO 44 CO -0.24 0.19 -0.24 -0.24 -0.21 0.00 0.00 178.00 177.26 2rbu h VAL 45 N 0.29 1.19 -0.31 3.15 3.04 -1.81 -0.75 116.25 121.05 2rbu h VAL 45 Ca 0.20 -0.91 -0.13 0.00 -1.01 0.00 0.00 66.70 64.85 2rbu h VAL 45 Cb 0.19 1.42 -0.01 0.00 -2.01 0.00 0.00 31.29 30.89 2rbu h VAL 45 CO -0.21 0.27 -0.34 -0.07 -1.01 0.00 0.00 177.57 176.21 2rbu h LEU 46 N 0.07 0.73 -0.32 3.16 3.38 -0.80 0.16 115.31 121.70 2rbu h LEU 46 Ca 0.01 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 2rbu h LEU 46 Cb 0.46 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2rbu h LEU 46 CO 0.03 1.01 0.14 0.58 0.09 0.00 0.00 178.44 180.29 2rbu h VAL 47 N 0.59 1.17 -0.64 1.22 2.07 -0.79 -1.57 116.25 118.30 2rbu h VAL 47 Ca 0.06 -0.50 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 2rbu h VAL 47 Cb 0.86 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 2rbu h VAL 47 CO 0.07 0.18 0.32 -0.09 0.02 0.00 0.00 177.57 178.07 2rbu h ARG 48 N 0.37 0.91 -0.16 1.57 2.43 -1.00 -1.81 114.38 116.70 2rbu h ARG 48 Ca 0.11 -0.13 0.04 0.00 -0.81 0.00 0.00 59.98 59.19 2rbu h ARG 48 Cb 0.15 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.50 2rbu h ARG 48 CO -0.01 0.72 -0.06 1.25 -1.51 0.00 0.00 179.97 180.36 2rbu h LEU 49 N 0.88 -0.22 -1.03 3.80 5.85 -0.84 0.79 115.31 124.55 2rbu h LEU 49 Ca 0.22 0.06 0.03 0.00 0.84 0.00 0.00 57.88 59.03 2rbu h LEU 49 Cb 0.10 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 2rbu h LEU 49 CO -0.03 -0.09 0.65 0.00 -0.34 0.00 0.00 178.44 178.64 2rbu h ALA 50 N 1.11 1.33 -0.19 1.25 0.00 -0.94 -1.11 119.26 120.71 2rbu h ALA 50 Ca 0.08 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2rbu h ALA 50 Cb 0.17 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2rbu h ALA 50 CO -0.19 0.59 0.04 2.35 0.00 0.00 0.00 179.25 182.05 2rbu h TRP 51 N 1.29 0.33 -0.17 0.00 2.91 -1.00 -2.89 115.95 116.42 2rbu h TRP 51 Ca 0.38 -0.04 -0.10 0.00 1.13 0.00 0.00 58.89 60.26 2rbu h TRP 51 Cb -0.06 -0.09 -0.01 0.00 -0.51 0.00 0.00 29.16 28.49 2rbu h TRP 51 CO -0.00 0.44 -0.34 0.45 -1.03 0.00 0.00 178.44 177.96 2rbu h HIS 52 N 0.13 0.40 0.00 2.65 3.86 -0.40 0.41 115.15 122.19 2rbu h HIS 52 Ca 0.06 -0.10 -0.04 0.00 -1.16 0.00 0.00 60.37 59.14 2rbu h HIS 52 Cb 0.28 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.65 2rbu h HIS 52 CO 0.01 0.65 -0.18 -0.84 0.86 0.00 0.00 177.93 178.43 2rbu h ILE 53 N 0.30 0.40 0.04 2.45 -0.00 -1.27 -3.19 117.51 116.25 2rbu h ILE 53 Ca 0.04 -1.12 -0.30 0.00 -0.00 0.00 0.00 64.86 63.47 2rbu h ILE 53 Cb 0.75 1.84 -0.04 0.00 -0.00 0.00 0.00 36.82 39.37 2rbu h ILE 53 CO 0.06 0.18 -1.70 0.28 -0.00 0.00 0.00 178.15 176.97 2rbu h SER 54 N 0.00 0.13 0.27 2.16 0.02 -1.16 -3.13 113.55 111.84 2rbu h SER 54 Ca -0.00 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 2rbu h SER 54 Cb 0.82 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.32 2rbu h SER 54 CO 0.02 1.23 0.00 0.61 -1.14 0.00 0.00 176.83 177.55 2rbu n GLY 55 N 1.64 -0.97 0.00 -3.77 0.00 0.14 -2.15 105.19 100.08 2rbu n GLY 55 Ca -0.19 -0.14 0.11 0.00 0.00 0.00 0.00 46.02 45.81 2rbu n GLY 55 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2rbu n THR 56 N -1.16 0.34 -1.97 2.61 -2.24 -1.24 -4.56 114.28 106.05 2rbu n THR 56 Ca 0.15 0.08 -0.39 0.00 -2.27 0.00 0.00 64.05 61.63 2rbu n THR 56 Cb 0.15 -0.70 0.01 0.00 -2.10 0.00 0.00 70.33 67.69 2rbu n THR 56 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 2rbu s TRP 57 N -2.71 2.62 -0.19 4.78 -0.00 -0.91 -4.13 118.94 118.38 2rbu s TRP 57 Ca 0.18 1.39 0.01 0.00 -0.00 0.00 0.00 56.10 57.68 2rbu s TRP 57 Cb 0.15 -3.71 0.04 0.00 -0.00 0.00 0.00 33.47 29.96 2rbu s TRP 57 CO 0.37 -2.37 -0.10 0.34 -0.00 0.00 0.00 176.95 175.19 2rbu s ASP 58 N -0.85 3.31 0.62 5.86 -1.08 -0.23 -4.63 116.67 119.66 2rbu s ASP 58 Ca 0.63 -0.85 0.35 0.00 -0.52 0.00 0.00 52.55 52.16 2rbu s ASP 58 Cb -0.38 -1.19 2.03 0.00 -1.46 0.00 0.00 42.92 41.92 2rbu s ASP 58 CO 0.48 -0.15 2.29 0.07 0.52 0.00 0.00 175.17 178.38 2rbu h LYS 59 N 7.99 0.00 -0.15 4.34 2.10 -1.72 0.63 116.57 129.77 2rbu h LYS 59 Ca -0.27 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.25 2rbu h LYS 59 Cb 1.10 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.42 2rbu h LYS 59 CO 0.47 0.01 -0.44 0.45 -2.00 0.00 0.00 179.45 177.93 2rbu h HIS 60 N 0.00 0.44 0.00 0.07 3.86 -1.95 -3.35 115.15 114.22 2rbu h HIS 60 Ca -0.00 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 59.08 2rbu h HIS 60 Cb 0.02 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.40 2rbu h HIS 60 CO 0.00 0.75 0.00 -0.40 0.86 0.00 0.00 177.93 179.14 2rbu n ASP 61 N -4.00 0.40 -2.68 2.45 5.68 -1.11 -4.48 116.55 112.82 2rbu n ASP 61 Ca -0.02 -1.12 -0.20 0.00 -0.50 0.00 0.00 54.79 52.95 2rbu n ASP 61 Cb 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 2rbu n ASP 61 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 2rbu n ASN 62 N -0.06 -5.35 -4.92 -1.12 5.15 0.20 0.21 115.26 109.36 2rbu n ASN 62 Ca 0.00 -0.08 -0.27 0.00 -0.60 0.00 0.00 54.58 53.63 2rbu n ASN 62 Cb 0.30 -4.43 0.03 0.00 -0.53 0.00 0.00 39.78 35.15 2rbu n ASN 62 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2rbu s THR 63 N -2.98 3.71 0.00 -0.44 -4.23 -1.24 -4.83 115.64 105.63 2rbu s THR 63 Ca 0.12 -0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.63 2rbu s THR 63 Cb -0.06 -3.47 0.00 0.00 1.34 0.00 0.00 72.50 70.31 2rbu s THR 63 CO 0.15 -0.48 0.00 0.61 -0.54 0.00 0.00 174.62 174.37 2rbu n GLY 64 N -2.56 0.12 0.00 3.99 0.00 -1.26 -1.06 105.19 104.42 2rbu n GLY 64 Ca 0.04 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.10 2rbu n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rbu n GLY 65 N 0.00 -0.57 0.24 -0.02 0.00 -1.26 -4.66 105.19 98.92 2rbu n GLY 65 Ca 0.00 -1.69 0.12 0.00 0.00 0.00 0.00 46.02 44.45 2rbu n GLY 65 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2rbu h SER 66 N 0.00 0.00 -0.22 1.61 4.64 -1.75 -3.38 113.55 114.45 2rbu h SER 66 Ca 0.00 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.38 2rbu h SER 66 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.03 2rbu h SER 66 CO 0.00 0.14 -0.17 0.22 -0.87 0.00 0.00 176.83 176.15 2rbu h TYR 67 N 0.00 -0.44 0.00 4.77 3.20 -1.85 -2.84 116.97 119.81 2rbu h TYR 67 Ca -0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2rbu h TYR 67 Cb 0.67 0.23 0.00 0.00 1.54 0.00 0.00 36.73 39.17 2rbu h TYR 67 CO 0.00 -0.25 0.00 0.41 -1.64 0.00 0.00 178.16 176.68 2rbu n GLY 68 N -1.33 -1.39 2.73 1.82 0.00 -1.25 -2.37 105.19 103.39 2rbu n GLY 68 Ca -0.01 -0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 2rbu n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rbu n GLY 69 N 1.31 -0.46 0.00 -0.02 0.00 -1.07 -1.39 105.19 103.56 2rbu n GLY 69 Ca 0.09 0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.25 2rbu n GLY 69 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2rbu n THR 70 N -4.29 0.34 0.25 2.61 -2.24 -1.26 -2.78 114.28 106.91 2rbu n THR 70 Ca -0.16 0.08 0.18 0.00 -2.27 0.00 0.00 64.05 61.89 2rbu n THR 70 Cb 0.64 -0.68 0.89 0.00 -2.10 0.00 0.00 70.33 69.09 2rbu n THR 70 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 2rbu h TYR 71 N 0.00 0.00 0.00 4.78 3.20 -1.94 -1.54 116.97 121.47 2rbu h TYR 71 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2rbu h TYR 71 Cb 0.37 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.64 2rbu h TYR 71 CO 0.00 0.00 0.00 2.89 -1.64 0.00 0.00 178.16 179.41 2rbu n ARG 72 N -3.46 0.15 -3.68 1.82 1.85 -1.12 -3.40 116.66 108.82 2rbu n ARG 72 Ca 0.00 0.49 -0.36 0.00 -1.00 0.00 0.00 57.85 56.99 2rbu n ARG 72 Cb 0.31 -1.85 -0.06 0.00 -1.05 0.00 0.00 32.46 29.82 2rbu n ARG 72 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2rbu s PHE 73 N -3.35 3.61 0.35 2.89 0.08 -0.58 -4.93 117.98 116.04 2rbu s PHE 73 Ca 0.02 0.70 0.10 0.00 0.12 0.00 0.00 56.93 57.86 2rbu s PHE 73 Cb 0.08 -2.08 0.84 0.00 -0.57 0.00 0.00 43.02 41.28 2rbu s PHE 73 CO 0.29 0.61 1.84 1.57 -0.10 0.00 0.00 175.22 179.43 2rbu h LYS 74 N 4.19 0.65 -0.35 0.44 2.10 -1.87 -1.27 116.57 120.46 2rbu h LYS 74 Ca -0.51 -0.04 0.03 0.00 -2.00 0.00 0.00 60.65 58.13 2rbu h LYS 74 Cb 1.20 -0.15 -0.03 0.00 -0.90 0.00 0.00 32.23 32.36 2rbu h LYS 74 CO 0.64 0.43 0.17 -0.22 -2.00 0.00 0.00 179.45 178.47 2rbu h LYS 75 N 0.67 0.34 0.08 0.07 3.64 -1.94 0.01 116.57 119.44 2rbu h LYS 75 Ca 0.49 -0.02 -0.15 0.00 -1.27 0.00 0.00 60.65 59.71 2rbu h LYS 75 Cb 0.86 -0.08 0.02 0.00 -0.41 0.00 0.00 32.23 32.62 2rbu h LYS 75 CO -0.25 0.22 -0.62 1.49 -2.27 0.00 0.00 179.45 178.02 2rbu h GLU 76 N 0.35 0.28 -1.01 1.90 4.81 -1.57 -2.55 114.58 116.79 2rbu h GLU 76 Ca 0.15 -0.41 0.23 0.00 -0.13 0.00 0.00 59.36 59.20 2rbu h GLU 76 Cb 0.06 0.14 -0.12 0.00 0.63 0.00 0.00 28.75 29.47 2rbu h GLU 76 CO -0.11 1.16 0.61 0.35 -0.73 0.00 0.00 179.01 180.28 2rbu h PHE 77 N -0.40 1.00 -0.16 0.92 3.57 -1.23 -1.99 116.94 118.66 2rbu h PHE 77 Ca -0.10 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.43 2rbu h PHE 77 Cb 1.44 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.89 2rbu h PHE 77 CO 0.19 0.11 0.00 0.09 -2.23 0.00 0.00 178.31 176.48 2rbu n ASN 78 N -4.83 2.26 -4.66 0.41 3.02 -0.02 -4.82 115.26 106.62 2rbu n ASN 78 Ca 0.26 -1.78 -0.55 0.00 -0.03 0.00 0.00 54.58 52.48 2rbu n ASN 78 Cb 0.71 -0.09 -0.07 0.00 -0.61 0.00 0.00 39.78 39.72 2rbu n ASN 78 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2rbu n ASP 79 N 0.73 2.11 -0.14 6.41 -0.08 -0.75 -4.84 116.55 119.98 2rbu n ASP 79 Ca 0.17 1.09 0.19 0.00 -1.51 0.00 0.00 54.79 54.74 2rbu n ASP 79 Cb 0.45 -1.16 0.59 0.00 2.34 0.00 0.00 41.12 43.33 2rbu n ASP 79 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2rbu h PRO 80 N 6.20 0.24 0.00 -0.67 0.11 -1.91 0.23 132.00 136.20 2rbu h PRO 80 Ca -0.47 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 2rbu h PRO 80 Cb 1.32 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 2rbu h PRO 80 CO 0.89 0.16 -0.02 0.77 -0.21 0.00 0.00 178.00 179.58 2rbu h SER 81 N 0.24 0.00 -0.71 -2.05 0.02 -1.94 -2.79 113.55 106.33 2rbu h SER 81 Ca 0.37 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 2rbu h SER 81 Cb 1.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.63 2rbu h SER 81 CO -0.08 0.02 0.00 0.59 -1.14 0.00 0.00 176.83 176.22 2rbu n ASN 82 N -3.28 4.10 -4.68 3.07 3.02 0.81 -5.00 115.26 113.29 2rbu n ASN 82 Ca -0.02 -2.09 -0.44 0.00 -0.03 0.00 0.00 54.58 52.00 2rbu n ASN 82 Cb 0.15 -0.50 -0.03 0.00 -0.61 0.00 0.00 39.78 38.78 2rbu n ASN 82 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2rbu n ALA 83 N 1.51 1.84 0.00 5.41 0.00 -1.06 -1.13 120.51 127.09 2rbu n ALA 83 Ca 0.24 0.32 0.00 0.00 0.00 0.00 0.00 53.44 54.01 2rbu n ALA 83 Cb 0.67 -2.55 0.00 0.00 0.00 0.00 0.00 19.45 17.57 2rbu n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rbu n GLY 84 N 4.16 2.79 0.22 0.00 0.00 -1.26 -4.82 105.19 106.28 2rbu n GLY 84 Ca 0.19 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.36 2rbu n GLY 84 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2rbu h LEU 85 N 0.00 0.00 -1.80 0.99 3.38 -1.51 -2.38 115.31 113.99 2rbu h LEU 85 Ca 0.00 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.18 2rbu h LEU 85 Cb 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 2rbu h LEU 85 CO 0.00 0.00 0.57 1.56 0.09 0.00 0.00 178.44 180.66 2rbu h GLN 86 N 0.00 0.17 -0.78 1.13 7.50 -1.91 -0.03 115.11 121.19 2rbu h GLN 86 Ca 0.00 -0.01 -0.02 0.00 0.50 0.00 0.00 58.65 59.12 2rbu h GLN 86 Cb 0.47 -0.04 -0.04 0.00 0.05 0.00 0.00 27.48 27.93 2rbu h GLN 86 CO 0.00 0.11 0.42 -0.91 -1.50 0.00 0.00 178.83 176.95 2rbu h ASN 87 N 0.17 0.99 -0.41 1.46 2.35 -1.82 -0.39 115.58 117.94 2rbu h ASN 87 Ca 0.41 -0.11 -0.07 0.00 -0.55 0.00 0.00 56.30 55.97 2rbu h ASN 87 Cb 1.33 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 39.43 2rbu h ASN 87 CO -0.07 0.82 -0.04 1.23 -1.65 0.00 0.00 177.43 177.72 2rbu h GLY 88 N 1.09 0.80 0.99 2.83 0.00 -1.21 -2.10 103.07 105.47 2rbu h GLY 88 Ca 0.27 -0.62 -0.00 0.00 0.00 0.00 0.00 47.33 46.98 2rbu h GLY 88 CO -0.04 0.57 0.28 -2.75 0.00 0.00 0.00 176.54 174.60 2rbu h PHE 89 N 0.57 0.61 -0.63 5.60 3.57 -1.11 -1.60 116.94 123.94 2rbu h PHE 89 Ca 0.11 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 2rbu h PHE 89 Cb 0.53 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.04 2rbu h PHE 89 CO 0.04 0.42 0.25 0.87 -2.23 0.00 0.00 178.31 177.67 2rbu h LYS 90 N 0.62 0.92 -0.55 1.11 1.57 -1.05 -1.21 116.57 117.98 2rbu h LYS 90 Ca 0.17 -0.15 0.04 0.00 -1.87 0.00 0.00 60.65 58.84 2rbu h LYS 90 Cb -0.01 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.10 2rbu h LYS 90 CO -0.03 0.75 0.31 0.35 -0.57 0.00 0.00 179.45 180.26 2rbu h PHE 91 N 0.91 0.58 0.00 -1.35 3.04 -0.99 -2.96 116.94 116.16 2rbu h PHE 91 Ca 0.21 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.18 2rbu h PHE 91 Cb 0.17 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 38.50 2rbu h PHE 91 CO 0.01 0.31 0.00 -0.07 -2.02 0.00 0.00 178.31 176.54 2rbu h LEU 92 N 0.61 0.00 -0.27 0.59 3.38 -0.68 -3.36 115.31 115.58 2rbu h LEU 92 Ca 0.23 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.26 2rbu h LEU 92 Cb 0.08 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.75 2rbu h LEU 92 CO -0.13 0.00 -0.31 -0.33 0.09 0.00 0.00 178.44 177.76 2rbu h GLU 93 N 0.00 -0.30 -0.05 1.13 5.08 -1.06 -0.24 114.58 119.14 2rbu h GLU 93 Ca 0.00 0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 2rbu h GLU 93 Cb 0.81 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 2rbu h GLU 93 CO 0.00 -0.20 -0.17 -1.00 -1.00 0.00 0.00 179.01 176.64 2rbu h PRO 94 N -0.31 0.08 -0.42 2.33 0.13 -1.75 -1.05 132.00 131.00 2rbu h PRO 94 Ca 0.14 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2rbu h PRO 94 Cb 0.53 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.63 2rbu h PRO 94 CO -0.44 0.25 0.27 0.82 -0.23 0.00 0.00 178.00 178.68 2rbu h ILE 95 N 0.07 1.11 -0.30 -3.56 1.08 -1.61 -1.28 117.51 113.03 2rbu h ILE 95 Ca 0.01 -0.21 -0.08 0.00 -0.39 0.00 0.00 64.86 64.19 2rbu h ILE 95 Cb 0.36 0.50 -0.02 0.00 -3.07 0.00 0.00 36.82 34.59 2rbu h ILE 95 CO 0.02 0.11 -0.15 -0.74 -0.69 0.00 0.00 178.15 176.71 2rbu h HIS 96 N 0.57 0.56 -0.54 1.37 2.76 -0.31 -0.64 115.15 118.92 2rbu h HIS 96 Ca 0.15 -0.09 -0.11 0.00 -2.20 0.00 0.00 60.37 58.12 2rbu h HIS 96 Cb -0.06 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 28.74 2rbu h HIS 96 CO -0.04 0.64 -0.10 0.87 -1.30 0.00 0.00 177.93 178.00 2rbu h LYS 97 N 0.47 1.02 -0.15 5.26 1.79 -1.01 -1.88 116.57 122.07 2rbu h LYS 97 Ca 0.08 -0.37 -0.11 0.00 -2.18 0.00 0.00 60.65 58.07 2rbu h LYS 97 Cb 0.53 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.10 2rbu h LYS 97 CO 0.03 1.05 -0.40 1.49 -1.08 0.00 0.00 179.45 180.55 2rbu h GLU 98 N 0.91 0.34 -2.20 3.15 4.81 -0.83 -3.35 114.58 117.40 2rbu h GLU 98 Ca 0.14 -0.16 -0.59 0.00 -0.13 0.00 0.00 59.36 58.62 2rbu h GLU 98 Cb 0.66 -0.00 -0.41 0.00 0.63 0.00 0.00 28.75 29.63 2rbu h GLU 98 CO 0.05 0.69 -0.73 1.19 -0.73 0.00 0.00 179.01 179.48 2rbu n PHE 99 N -4.03 2.52 0.48 0.92 3.72 -0.28 -4.93 117.46 115.85 2rbu n PHE 99 Ca -0.01 -4.00 0.09 0.00 -0.05 0.00 0.00 57.45 53.48 2rbu n PHE 99 Cb 0.49 -0.49 0.40 0.00 -0.94 0.00 0.00 39.48 38.93 2rbu n PHE 99 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2rbu n PRO 100 N 1.09 0.09 0.23 -1.08 -0.04 -0.73 -2.23 135.00 132.32 2rbu n PRO 100 Ca 0.27 0.31 0.11 0.00 -0.04 0.00 0.00 63.50 64.16 2rbu n PRO 100 Cb 0.44 -1.66 0.38 0.00 -0.04 0.00 0.00 33.50 32.62 2rbu n PRO 100 CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 2rbu h TRP 101 N 0.00 0.00 -3.82 0.54 5.08 -1.92 -3.45 115.95 112.38 2rbu h TRP 101 Ca 0.00 0.00 -0.50 0.00 1.08 0.00 0.00 58.89 59.47 2rbu h TRP 101 Cb 0.32 0.00 0.02 0.00 -3.00 0.00 0.00 29.16 26.50 2rbu h TRP 101 CO 0.00 0.14 0.47 -1.50 -1.28 0.00 0.00 178.44 176.27 2rbu s ILE 102 N -3.44 3.50 0.78 0.12 2.07 -0.95 -4.93 121.20 118.36 2rbu s ILE 102 Ca 0.03 1.48 -0.11 0.00 -1.41 0.00 0.00 60.65 60.64 2rbu s ILE 102 Cb 0.08 -3.93 0.06 0.00 0.13 0.00 0.00 42.46 38.80 2rbu s ILE 102 CO 0.64 0.33 1.08 -0.94 -1.91 0.00 0.00 174.94 174.14 2rbu s SER 103 N -0.94 4.58 0.07 4.50 1.04 -1.26 -4.86 113.70 116.82 2rbu s SER 103 Ca 0.46 1.49 -0.21 0.00 0.48 0.00 0.00 55.95 58.17 2rbu s SER 103 Cb -0.31 -2.25 -0.12 0.00 0.10 0.00 0.00 66.02 63.44 2rbu s SER 103 CO 0.40 -1.94 1.54 0.28 0.98 0.00 0.00 173.24 174.50 2rbu h SER 104 N -1.06 0.22 -0.55 7.02 0.02 -1.90 -0.41 113.55 116.90 2rbu h SER 104 Ca -0.46 -0.25 0.06 0.00 -0.84 0.00 0.00 61.79 60.29 2rbu h SER 104 Cb 1.25 -0.06 -0.05 0.00 0.14 0.00 0.00 62.40 63.68 2rbu h SER 104 CO 0.57 0.42 0.26 1.23 -1.14 0.00 0.00 176.83 178.17 2rbu h GLY 105 N 0.02 0.77 0.99 -3.77 0.00 -1.79 0.72 103.07 100.00 2rbu h GLY 105 Ca 0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 2rbu h GLY 105 CO 0.00 0.09 0.31 -0.55 0.00 0.00 0.00 176.54 176.39 2rbu h ASP 106 N 0.50 0.70 -0.26 0.19 5.19 -1.79 -1.38 116.42 119.57 2rbu h ASP 106 Ca 0.25 -0.09 -0.02 0.00 -0.62 0.00 0.00 57.03 56.55 2rbu h ASP 106 Cb 0.19 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.51 2rbu h ASP 106 CO -0.19 0.58 0.08 0.25 -3.12 0.00 0.00 179.24 176.83 2rbu h LEU 107 N 0.76 0.38 -0.50 1.55 5.85 -0.55 0.35 115.31 123.15 2rbu h LEU 107 Ca 0.20 -0.21 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 2rbu h LEU 107 Cb 0.03 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 2rbu h LEU 107 CO -0.03 0.50 0.12 -0.26 -0.34 0.00 0.00 178.44 178.42 2rbu h PHE 108 N 0.25 0.85 -0.34 1.25 0.04 -0.77 -0.29 116.94 117.93 2rbu h PHE 108 Ca 0.08 -0.10 -0.16 0.00 2.80 0.00 0.00 57.97 60.59 2rbu h PHE 108 Cb 0.25 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 2rbu h PHE 108 CO 0.01 0.76 -0.42 0.66 -0.60 0.00 0.00 178.31 178.71 2rbu h SER 109 N 0.70 0.93 -0.35 2.17 4.64 -1.21 -2.78 113.55 117.66 2rbu h SER 109 Ca 0.16 -0.44 -0.05 0.00 -0.47 0.00 0.00 61.79 60.99 2rbu h SER 109 Cb 0.34 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.14 2rbu h SER 109 CO 0.00 1.22 0.08 0.25 -0.87 0.00 0.00 176.83 177.51 2rbu h LEU 110 N 0.70 0.60 -0.87 5.97 5.85 -0.76 -1.92 115.31 124.87 2rbu h LEU 110 Ca 0.05 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.67 2rbu h LEU 110 Cb 1.01 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.84 2rbu h LEU 110 CO 0.10 0.62 0.57 1.23 -0.34 0.00 0.00 178.44 180.62 2rbu h GLY 111 N 0.87 1.24 0.90 3.75 0.00 -0.79 0.12 103.07 109.16 2rbu h GLY 111 Ca 0.14 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 2rbu h GLY 111 CO 0.00 0.46 0.09 -1.33 0.00 0.00 0.00 176.54 175.76 2rbu h GLY 112 N 1.19 0.42 0.87 4.60 0.00 -1.15 -1.24 103.07 107.75 2rbu h GLY 112 Ca 0.32 -0.24 0.02 0.00 0.00 0.00 0.00 47.33 47.43 2rbu h GLY 112 CO -0.07 0.23 0.07 -2.08 0.00 0.00 0.00 176.54 174.69 2rbu h VAL 113 N 0.26 0.96 -0.36 4.60 2.07 -0.97 -1.35 116.25 121.46 2rbu h VAL 113 Ca 0.08 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.56 2rbu h VAL 113 Cb 0.21 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 2rbu h VAL 113 CO -0.00 0.03 0.21 0.74 0.02 0.00 0.00 177.57 178.56 2rbu h THR 114 N 0.16 1.04 -0.02 2.57 2.02 -0.71 -1.65 112.91 116.32 2rbu h THR 114 Ca 0.08 -0.15 0.01 0.00 0.77 0.00 0.00 66.41 67.12 2rbu h THR 114 Cb 0.04 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 2rbu h THR 114 CO -0.07 0.08 -0.02 0.00 0.37 0.00 0.00 175.52 175.87 2rbu h ALA 115 N 1.16 -0.00 -0.22 6.16 0.00 -1.08 0.38 119.26 125.66 2rbu h ALA 115 Ca 0.14 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.11 2rbu h ALA 115 Cb 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 2rbu h ALA 115 CO -0.06 -0.51 -0.06 0.28 0.00 0.00 0.00 179.25 178.89 2rbu h VAL 116 N -0.03 0.76 -0.39 0.00 2.07 -1.06 -0.08 116.25 117.51 2rbu h VAL 116 Ca 0.02 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.49 2rbu h VAL 116 Cb 0.06 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 2rbu h VAL 116 CO -0.04 0.00 0.06 1.56 0.02 0.00 0.00 177.57 179.17 2rbu h GLN 117 N -0.01 0.65 -0.09 1.57 4.20 -1.08 -0.21 115.11 120.14 2rbu h GLN 117 Ca 0.11 -0.18 -0.06 0.00 0.06 0.00 0.00 58.65 58.58 2rbu h GLN 117 Cb 0.18 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 2rbu h GLN 117 CO -0.23 0.71 -0.22 0.93 -0.67 0.00 0.00 178.83 179.35 2rbu h GLU 118 N 0.50 0.15 -0.81 1.46 4.39 -0.77 -1.07 114.58 118.44 2rbu h GLU 118 Ca 0.12 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.78 2rbu h GLU 118 Cb 0.37 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 2rbu h GLU 118 CO 0.01 0.37 0.00 -1.33 -1.16 0.00 0.00 179.01 176.90 2rbu n MET 119 N -4.22 0.98 -1.25 2.33 2.81 -0.06 -4.83 117.12 112.88 2rbu n MET 119 Ca -0.01 0.00 -0.07 0.00 -1.81 0.00 0.00 57.70 55.80 2rbu n MET 119 Cb 0.31 -1.41 -0.03 0.00 -0.71 0.00 0.00 33.22 31.39 2rbu n MET 119 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 2rbu n GLN 120 N -0.08 -0.50 -0.51 0.03 6.02 -0.40 -0.11 117.38 121.83 2rbu n GLN 120 Ca 0.00 0.74 -0.10 0.00 -0.01 0.00 0.00 57.00 57.63 2rbu n GLN 120 Cb 0.20 -4.54 0.07 0.00 1.02 0.00 0.00 30.24 26.99 2rbu n GLN 120 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2rbu n GLY 121 N -2.05 -1.78 3.77 1.08 0.00 -0.12 -4.71 105.19 101.38 2rbu n GLY 121 Ca -0.07 -1.59 -0.31 0.00 0.00 0.00 0.00 46.02 44.04 2rbu n GLY 121 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2rbu s PRO 122 N -3.90 2.40 0.34 1.61 0.04 -1.26 -4.67 135.00 129.57 2rbu s PRO 122 Ca 0.24 1.20 -0.29 0.00 0.04 0.00 0.00 61.00 62.20 2rbu s PRO 122 Cb -0.01 -1.91 -0.10 0.00 0.04 0.00 0.00 34.50 32.51 2rbu s PRO 122 CO 0.18 -1.53 1.36 0.15 0.04 0.00 0.00 177.00 177.19 2rbu s LYS 123 N -4.74 4.29 -0.28 4.56 -0.14 -1.26 -4.40 119.74 117.77 2rbu s LYS 123 Ca 0.62 2.31 0.03 0.00 -1.36 0.00 0.00 55.97 57.57 2rbu s LYS 123 Cb -0.18 -3.05 0.07 0.00 -1.68 0.00 0.00 37.83 33.00 2rbu s LYS 123 CO 0.53 -0.28 -0.07 0.42 -0.76 0.00 0.00 175.35 175.19 2rbu s ILE 124 N -1.10 2.27 0.47 2.17 -1.09 -1.26 -4.80 121.20 117.86 2rbu s ILE 124 Ca 0.50 -1.75 -0.25 0.00 -2.23 0.00 0.00 60.65 56.92 2rbu s ILE 124 Cb -0.42 -2.40 -0.08 0.00 -1.58 0.00 0.00 42.46 37.98 2rbu s ILE 124 CO 0.55 -0.15 1.43 -2.84 -1.23 0.00 0.00 174.94 172.71 2rbu s PRO 125 N 1.08 3.58 -0.00 2.79 0.02 -1.26 -4.77 135.00 136.43 2rbu s PRO 125 Ca -0.05 2.42 0.01 0.00 0.02 0.00 0.00 61.00 63.40 2rbu s PRO 125 Cb -0.20 -2.59 -0.00 0.00 0.02 0.00 0.00 34.50 31.73 2rbu s PRO 125 CO -0.05 -0.91 -0.03 -0.46 -0.33 0.00 0.00 177.00 175.23 2rbu s TRP 126 N -1.21 0.25 -0.02 6.54 -0.00 -0.30 -4.78 118.94 119.42 2rbu s TRP 126 Ca 0.63 -0.04 0.06 0.00 -0.00 0.00 0.00 56.10 56.75 2rbu s TRP 126 Cb -0.44 -0.17 -0.02 0.00 -0.00 0.00 0.00 33.47 32.84 2rbu s TRP 126 CO 0.56 -0.01 -0.20 1.03 -0.00 0.00 0.00 176.95 178.33 2rbu s ARG 127 N -0.02 2.24 0.70 5.86 0.52 -1.26 -0.06 118.95 126.93 2rbu s ARG 127 Ca 0.01 -0.86 -0.02 0.00 -0.52 0.00 0.00 55.73 54.33 2rbu s ARG 127 Cb -0.02 -2.19 0.11 0.00 0.52 0.00 0.00 34.95 33.37 2rbu s ARG 127 CO -0.00 0.58 0.98 0.00 0.02 0.00 0.00 175.30 176.88 2rbu n GLY 129 N -2.82 1.03 3.76 0.00 0.00 -1.26 -4.73 105.19 101.16 2rbu n GLY 129 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 2rbu n GLY 129 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2rbu s ARG 130 N -0.31 3.28 -0.08 1.61 0.52 -1.26 -0.76 118.95 121.95 2rbu s ARG 130 Ca 0.00 2.07 0.02 0.00 -0.52 0.00 0.00 55.73 57.29 2rbu s ARG 130 Cb 0.00 -2.26 0.02 0.00 0.52 0.00 0.00 34.95 33.23 2rbu s ARG 130 CO 0.00 -1.03 -0.11 0.08 0.02 0.00 0.00 175.30 174.26 2rbu s VAL 131 N -1.40 1.10 0.26 3.52 1.01 -1.00 -4.63 120.40 119.26 2rbu s VAL 131 Ca 0.70 -0.42 -0.31 0.00 0.00 0.00 0.00 61.98 61.95 2rbu s VAL 131 Cb -0.36 -1.03 -0.12 0.00 0.00 0.00 0.00 36.38 34.86 2rbu s VAL 131 CO 0.43 0.36 1.55 0.47 0.00 0.00 0.00 175.10 177.90 2rbu n ASP 132 N 4.11 3.48 -4.53 3.32 9.92 -1.26 -3.97 116.55 127.61 2rbu n ASP 132 Ca -0.20 1.13 -0.24 0.00 -0.53 0.00 0.00 54.79 54.95 2rbu n ASP 132 Cb 0.51 -1.53 -0.09 0.00 -0.64 0.00 0.00 41.12 39.37 2rbu n ASP 132 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2rbu s THR 133 N 0.13 2.82 1.03 -3.53 -4.23 -0.49 -5.00 115.64 106.38 2rbu s THR 133 Ca 0.67 -2.20 -0.12 0.00 -1.18 0.00 0.00 61.69 58.87 2rbu s THR 133 Cb -0.56 -2.48 0.21 0.00 1.34 0.00 0.00 72.50 71.01 2rbu s THR 133 CO 0.47 -0.37 1.08 -2.84 -0.54 0.00 0.00 174.62 172.42 2rbu s PRO 134 N -3.49 0.12 0.48 3.99 0.02 -1.26 -4.84 135.00 130.01 2rbu s PRO 134 Ca 0.30 1.02 0.19 0.00 0.02 0.00 0.00 61.00 62.53 2rbu s PRO 134 Cb -0.06 -1.66 1.22 0.00 0.02 0.00 0.00 34.50 34.02 2rbu s PRO 134 CO 0.16 -3.08 1.99 1.49 -0.33 0.00 0.00 177.00 177.24 2rbu h GLU 135 N -2.17 0.19 0.00 5.54 4.81 -1.99 -1.62 114.58 119.35 2rbu h GLU 135 Ca -0.54 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 2rbu h GLU 135 Cb 1.30 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.64 2rbu h GLU 135 CO 0.49 0.13 0.00 -0.40 -0.73 0.00 0.00 179.01 178.50 2rbu n ASP 136 N -4.44 0.00 -0.38 1.04 5.75 -1.26 -2.08 116.55 115.18 2rbu n ASP 136 Ca 0.10 0.31 0.13 0.00 -0.01 0.00 0.00 54.79 55.32 2rbu n ASP 136 Cb 0.48 -0.42 0.42 0.00 -1.03 0.00 0.00 41.12 40.58 2rbu n ASP 136 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2rbu n THR 137 N -1.42 0.00 -1.92 2.12 -2.24 -0.61 -4.92 114.28 105.30 2rbu n THR 137 Ca 0.07 -0.20 -0.42 0.00 -2.27 0.00 0.00 64.05 61.23 2rbu n THR 137 Cb 0.21 0.50 -0.03 0.00 -2.10 0.00 0.00 70.33 68.91 2rbu n THR 137 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2rbu s THR 138 N -2.26 3.08 0.57 4.28 2.01 -0.88 -4.65 115.64 117.79 2rbu s THR 138 Ca 0.30 0.47 -0.19 0.00 0.31 0.00 0.00 61.69 62.59 2rbu s THR 138 Cb 0.20 -3.30 -0.04 0.00 0.01 0.00 0.00 72.50 69.36 2rbu s THR 138 CO 0.43 -0.01 1.15 -2.16 -0.69 0.00 0.00 174.62 173.34 2rbu s PRO 139 N 2.88 3.17 0.72 4.92 0.04 -1.26 -5.00 135.00 140.47 2rbu s PRO 139 Ca 0.75 1.64 -0.15 0.00 0.04 0.00 0.00 61.00 63.28 2rbu s PRO 139 Cb -0.39 -1.98 0.03 0.00 0.04 0.00 0.00 34.50 32.20 2rbu s PRO 139 CO 0.33 -1.00 1.19 -0.51 0.04 0.00 0.00 177.00 177.04 2rbu s ASP 140 N -1.83 4.36 0.76 6.66 1.01 -1.26 -4.70 116.67 121.67 2rbu s ASP 140 Ca 0.73 2.28 -0.15 0.00 0.71 0.00 0.00 52.55 56.12 2rbu s ASP 140 Cb -0.25 -2.58 0.02 0.00 1.01 0.00 0.00 42.92 41.12 2rbu s ASP 140 CO 0.30 -2.14 0.92 0.59 0.21 0.00 0.00 175.17 175.05 2rbu n ASN 141 N -2.67 0.18 0.00 0.27 5.03 -1.26 -4.32 115.26 112.48 2rbu n ASN 141 Ca 0.13 0.61 0.00 0.00 0.87 0.00 0.00 54.58 56.19 2rbu n ASN 141 Cb 0.51 -1.39 0.00 0.00 -1.02 0.00 0.00 39.78 37.88 2rbu n ASN 141 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2rbu n GLY 142 N 1.06 0.99 0.01 7.41 0.00 -1.26 -4.98 105.19 108.42 2rbu n GLY 142 Ca 0.12 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.25 2rbu n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rbu n ARG 143 N -1.57 0.10 -3.21 1.61 1.74 -1.26 -4.92 116.66 109.14 2rbu n ARG 143 Ca 0.00 -0.01 -0.29 0.00 -0.77 0.00 0.00 57.85 56.78 2rbu n ARG 143 Cb 0.00 -1.52 -0.03 0.00 -1.02 0.00 0.00 32.46 29.88 2rbu n ARG 143 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2rbu s LEU 144 N -3.30 4.01 0.38 0.55 1.43 -1.26 -4.70 118.68 115.78 2rbu s LEU 144 Ca 0.07 0.85 -0.21 0.00 -1.03 0.00 0.00 54.13 53.81 2rbu s LEU 144 Cb 0.16 -3.68 -0.10 0.00 0.03 0.00 0.00 46.19 42.60 2rbu s LEU 144 CO 0.80 -0.24 0.90 -2.16 0.23 0.00 0.00 176.35 175.88 2rbu s PRO 145 N -3.57 4.28 0.47 1.29 0.04 -1.26 -5.05 135.00 131.20 2rbu s PRO 145 Ca 0.46 1.08 -0.20 0.00 0.04 0.00 0.00 61.00 62.38 2rbu s PRO 145 Cb -0.11 -2.40 -0.09 0.00 0.04 0.00 0.00 34.50 31.94 2rbu s PRO 145 CO 0.29 0.10 1.02 -0.51 0.04 0.00 0.00 177.00 177.94 2rbu s ASP 146 N -2.03 6.49 0.00 6.66 1.01 -1.26 -5.00 116.67 122.54 2rbu s ASP 146 Ca 0.57 1.87 0.23 0.00 0.71 0.00 0.00 52.55 55.93 2rbu s ASP 146 Cb -0.12 -2.56 0.10 0.00 1.01 0.00 0.00 42.92 41.35 2rbu s ASP 146 CO 0.17 -0.68 1.13 0.00 0.21 0.00 0.00 175.17 176.00 2rbu n ALA 147 N -0.88 4.18 0.07 5.23 0.00 -1.26 -4.41 120.51 123.44 2rbu n ALA 147 Ca 0.09 -0.50 0.07 0.00 0.00 0.00 0.00 53.44 53.10 2rbu n ALA 147 Cb 0.53 -0.92 0.26 0.00 0.00 0.00 0.00 19.45 19.32 2rbu n ALA 147 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2rbu n ASP 148 N -1.38 3.39 -4.12 0.00 5.75 -1.26 -2.09 116.55 116.85 2rbu n ASP 148 Ca 0.05 -2.22 -0.20 0.00 -0.01 0.00 0.00 54.79 52.41 2rbu n ASP 148 Cb 0.34 -0.45 -0.00 0.00 -1.03 0.00 0.00 41.12 39.98 2rbu n ASP 148 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2rbu n LYS 149 N 0.87 0.89 -2.83 0.11 4.76 -1.26 -4.88 118.16 115.82 2rbu n LYS 149 Ca 0.19 -2.58 -0.15 0.00 -2.87 0.00 0.00 58.31 52.90 2rbu n LYS 149 Cb 0.61 0.29 0.00 0.00 -1.84 0.00 0.00 35.03 34.10 2rbu n LYS 149 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2rbu n ASP 150 N -1.86 1.99 -0.22 4.39 5.68 -1.26 -3.20 116.55 122.06 2rbu n ASP 150 Ca -0.02 -2.10 -0.01 0.00 -0.50 0.00 0.00 54.79 52.16 2rbu n ASP 150 Cb 0.47 -0.04 0.19 0.00 -1.14 0.00 0.00 41.12 40.61 2rbu n ASP 150 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2rbu h ALA 151 N 0.68 1.33 -0.75 2.12 0.00 -1.91 -2.05 119.26 118.68 2rbu h ALA 151 Ca -0.20 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 2rbu h ALA 151 Cb 0.74 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2rbu h ALA 151 CO 0.32 0.55 0.30 0.78 0.00 0.00 0.00 179.25 181.20 2rbu h GLY 152 N 1.06 1.20 0.97 0.00 0.00 -1.96 0.03 103.07 104.37 2rbu h GLY 152 Ca 0.26 -0.64 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 2rbu h GLY 152 CO -0.04 0.60 0.06 -1.82 0.00 0.00 0.00 176.54 175.34 2rbu h TYR 153 N 1.09 0.12 -0.33 5.60 5.03 -1.81 -1.59 116.97 125.08 2rbu h TYR 153 Ca 0.25 0.00 0.02 0.00 2.58 0.00 0.00 58.73 61.58 2rbu h TYR 153 Cb 0.20 -0.04 -0.03 0.00 1.55 0.00 0.00 36.73 38.42 2rbu h TYR 153 CO 0.02 0.11 0.18 0.28 -1.32 0.00 0.00 178.16 177.42 2rbu h VAL 154 N 0.10 1.00 -0.14 1.81 2.07 -0.91 0.16 116.25 120.34 2rbu h VAL 154 Ca 0.03 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 2rbu h VAL 154 Cb 0.02 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 2rbu h VAL 154 CO -0.01 0.07 0.08 -0.09 0.02 0.00 0.00 177.57 177.64 2rbu h ARG 155 N 0.36 0.19 -0.50 1.57 2.43 -0.93 -1.76 114.38 115.75 2rbu h ARG 155 Ca 0.14 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.22 2rbu h ARG 155 Cb 0.03 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 2rbu h ARG 155 CO -0.08 0.17 0.05 1.15 -1.51 0.00 0.00 179.97 179.75 2rbu h THR 156 N 0.15 1.25 -0.31 0.20 2.02 -1.13 -2.70 112.91 112.38 2rbu h THR 156 Ca 0.05 -0.98 0.05 0.00 0.77 0.00 0.00 66.41 66.30 2rbu h THR 156 Cb 0.04 0.92 -0.04 0.00 -1.74 0.00 0.00 68.15 67.32 2rbu h THR 156 CO -0.01 0.35 0.04 0.15 0.37 0.00 0.00 175.52 176.41 2rbu h PHE 157 N 0.71 0.05 0.00 3.16 3.57 -0.41 -2.39 116.94 121.64 2rbu h PHE 157 Ca 0.15 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.67 2rbu h PHE 157 Cb 0.44 0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.20 2rbu h PHE 157 CO 0.03 -0.01 0.00 0.74 -2.23 0.00 0.00 178.31 176.84 2rbu h PHE 158 N 0.14 0.00 -0.29 0.41 0.04 -1.23 -2.37 116.94 113.63 2rbu h PHE 158 Ca 0.15 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.93 2rbu h PHE 158 Cb 0.18 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.31 2rbu h PHE 158 CO -0.20 0.00 0.20 1.96 -0.60 0.00 0.00 178.31 179.67 2rbu h GLN 159 N 0.00 0.34 0.00 1.51 4.20 -1.09 -1.12 115.11 118.95 2rbu h GLN 159 Ca 0.00 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.66 2rbu h GLN 159 Cb 0.54 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.24 2rbu h GLN 159 CO 0.00 0.22 -0.12 -0.09 -0.67 0.00 0.00 178.83 178.17 2rbu h ARG 160 N 0.35 0.00 -0.66 1.46 2.43 -1.51 -1.62 114.38 114.83 2rbu h ARG 160 Ca 0.11 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 2rbu h ARG 160 Cb 0.03 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 2rbu h ARG 160 CO -0.02 0.12 0.00 1.28 -1.51 0.00 0.00 179.97 179.84 2rbu n LEU 161 N -3.94 3.65 -3.51 3.80 4.77 -0.50 -1.97 117.00 119.30 2rbu n LEU 161 Ca -0.02 -1.83 -0.25 0.00 -0.03 0.00 0.00 56.01 53.88 2rbu n LEU 161 Cb 0.21 -0.46 0.05 0.00 -2.33 0.00 0.00 43.42 40.89 2rbu n LEU 161 CO 0.32 0.85 0.13 -3.20 -1.33 0.00 0.00 177.39 174.16 2rbu n ASN 162 N 1.35 -5.76 -4.65 -1.43 4.05 -0.61 -4.98 115.26 103.23 2rbu n ASN 162 Ca 0.22 -0.52 -0.35 0.00 0.45 0.00 0.00 54.58 54.38 2rbu n ASN 162 Cb 0.60 -4.59 -0.10 0.00 1.23 0.00 0.00 39.78 36.92 2rbu n ASN 162 CO 0.00 0.00 0.00 -0.04 -3.05 0.00 0.00 177.26 174.17 2rbu s MET 163 N -6.22 2.90 0.40 1.20 -1.94 -0.76 -5.02 119.30 109.87 2rbu s MET 163 Ca 0.52 -0.46 0.05 0.00 -1.71 0.00 0.00 55.69 54.10 2rbu s MET 163 Cb -0.24 -2.73 0.07 0.00 2.01 0.00 0.00 34.83 33.94 2rbu s MET 163 CO 0.65 0.69 0.55 0.27 -0.01 0.00 0.00 175.02 177.17 2rbu n ASN 164 N 2.14 1.33 -0.18 3.03 0.23 -1.26 -4.05 115.26 116.49 2rbu n ASN 164 Ca -0.18 -1.98 -0.04 0.00 -0.53 0.00 0.00 54.58 51.84 2rbu n ASN 164 Cb 0.53 -0.30 0.05 0.00 -2.08 0.00 0.00 39.78 37.98 2rbu n ASN 164 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2rbu h ASP 165 N -0.00 0.47 -0.40 0.53 5.19 -1.99 -0.19 116.42 120.02 2rbu h ASP 165 Ca -0.19 0.02 -0.06 0.00 -0.62 0.00 0.00 57.03 56.18 2rbu h ASP 165 Cb 0.83 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 40.24 2rbu h ASP 165 CO 0.25 0.33 0.01 0.03 -3.12 0.00 0.00 179.24 176.74 2rbu h ARG 166 N 0.60 0.69 -0.60 3.56 3.08 -1.96 -1.37 114.38 118.37 2rbu h ARG 166 Ca 0.23 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 2rbu h ARG 166 Cb 0.08 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 2rbu h ARG 166 CO -0.13 0.78 0.35 0.93 -1.07 0.00 0.00 179.97 180.83 2rbu h GLU 167 N 0.52 0.83 0.09 0.04 5.08 -1.86 -1.05 114.58 118.23 2rbu h GLU 167 Ca 0.11 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2rbu h GLU 167 Cb 0.46 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2rbu h GLU 167 CO 0.02 0.61 -0.07 0.28 -1.00 0.00 0.00 179.01 178.85 2rbu h VAL 168 N 0.82 0.83 -0.58 3.13 2.07 -0.82 -0.38 116.25 121.32 2rbu h VAL 168 Ca 0.21 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.71 2rbu h VAL 168 Cb 0.01 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 2rbu h VAL 168 CO -0.04 0.00 0.28 0.58 0.02 0.00 0.00 177.57 178.41 2rbu h VAL 169 N -0.17 1.21 -0.03 2.57 2.07 -1.12 -0.67 116.25 120.11 2rbu h VAL 169 Ca 0.00 -0.60 0.01 0.00 0.82 0.00 0.00 66.70 66.93 2rbu h VAL 169 Cb 0.16 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 2rbu h VAL 169 CO -0.01 0.24 -0.01 0.00 0.02 0.00 0.00 177.57 177.81 2rbu h ALA 170 N 1.11 0.02 -0.90 1.67 0.00 -1.14 -2.91 119.26 117.12 2rbu h ALA 170 Ca 0.20 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2rbu h ALA 170 Cb 0.13 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 2rbu h ALA 170 CO -0.02 -0.50 0.51 -0.07 0.00 0.00 0.00 179.25 179.17 2rbu h LEU 171 N -0.00 1.10 -1.92 0.00 3.38 -0.77 -2.14 115.31 114.96 2rbu h LEU 171 Ca 0.01 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2rbu h LEU 171 Cb 0.02 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.49 2rbu h LEU 171 CO -0.03 0.86 0.00 -0.03 0.09 0.00 0.00 178.44 179.33 2rbu h MET 172 N 1.25 0.00 0.00 1.13 4.05 -0.93 -1.76 114.93 118.67 2rbu h MET 172 Ca 0.32 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.74 2rbu h MET 172 Cb -0.01 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.79 2rbu h MET 172 CO -0.06 0.00 0.05 0.78 0.23 0.00 0.00 176.91 177.92 2rbu h GLY 173 N 0.81 0.00 2.00 1.39 0.00 -1.26 0.19 103.07 106.20 2rbu h GLY 173 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2rbu h GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 2rbu h ALA 174 N 1.90 1.00 0.00 3.60 0.00 -1.50 -1.80 119.26 122.46 2rbu h ALA 174 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2rbu h ALA 174 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2rbu h ALA 174 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.97 2rbu n HIS 175 N -2.88 0.00 0.31 0.00 8.25 0.06 -1.12 115.22 119.84 2rbu n HIS 175 Ca -0.02 0.00 0.19 0.00 -0.26 0.00 0.00 57.72 57.63 2rbu n HIS 175 Cb 0.09 -0.02 0.99 0.00 1.12 0.00 0.00 29.99 32.17 2rbu n HIS 175 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2rbu h ALA 176 N 2.98 1.12 -2.68 -1.41 0.00 -1.54 -3.45 119.26 114.27 2rbu h ALA 176 Ca 0.00 -0.02 -0.62 0.00 0.00 0.00 0.00 54.91 54.27 2rbu h ALA 176 Cb 0.01 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 2rbu h ALA 176 CO 0.00 0.03 -0.31 -0.51 0.00 0.00 0.00 179.25 178.46 2rbu s LEU 177 N -6.55 4.41 0.00 0.00 1.43 -0.27 -4.49 118.68 113.20 2rbu s LEU 177 Ca -0.03 0.74 0.00 0.00 -1.03 0.00 0.00 54.13 53.80 2rbu s LEU 177 Cb 0.12 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.77 2rbu s LEU 177 CO 0.48 0.30 0.00 0.61 0.23 0.00 0.00 176.35 177.97 2rbu n GLY 178 N 1.51 0.84 3.74 -3.19 0.00 -0.21 -4.96 105.19 102.92 2rbu n GLY 178 Ca -0.13 -0.73 -0.08 0.00 0.00 0.00 0.00 46.02 45.08 2rbu n GLY 178 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2rbu s LYS 179 N 0.00 1.60 0.39 1.61 -2.85 -1.26 -4.43 119.74 114.80 2rbu s LYS 179 Ca 0.00 -0.82 -0.14 0.00 -1.00 0.00 0.00 55.97 54.00 2rbu s LYS 179 Cb 0.00 0.59 -0.08 0.00 -2.06 0.00 0.00 37.83 36.27 2rbu s LYS 179 CO 0.00 -0.73 0.81 0.95 0.10 0.00 0.00 175.35 176.48 2rbu s THR 180 N -3.82 4.66 -0.12 3.79 -4.23 -1.26 -5.08 115.64 109.58 2rbu s THR 180 Ca 0.08 0.94 0.00 0.00 -1.18 0.00 0.00 61.69 61.54 2rbu s THR 180 Cb -0.04 -3.66 0.02 0.00 1.34 0.00 0.00 72.50 70.15 2rbu s THR 180 CO 0.01 -0.39 -0.10 -1.00 -0.54 0.00 0.00 174.62 172.61 2rbu s HIS 181 N -2.23 1.71 0.29 3.99 0.09 -1.16 -3.86 115.29 114.12 2rbu s HIS 181 Ca 0.55 -0.88 0.04 0.00 -0.00 0.00 0.00 55.06 54.77 2rbu s HIS 181 Cb -0.10 -1.34 0.71 0.00 -0.00 0.00 0.00 32.58 31.85 2rbu s HIS 181 CO 0.23 -0.55 1.74 1.25 -0.00 0.00 0.00 174.74 177.42 2rbu h LEU 182 N 8.04 0.59 -1.25 0.89 5.85 -1.60 -0.34 115.31 127.48 2rbu h LEU 182 Ca -0.33 0.12 -0.07 0.00 0.84 0.00 0.00 57.88 58.44 2rbu h LEU 182 Cb 1.14 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 2rbu h LEU 182 CO 0.45 0.16 -0.34 0.11 -0.34 0.00 0.00 178.44 178.49 2rbu h LYS 183 N 0.61 0.00 0.01 1.25 6.56 -1.96 -1.06 116.57 121.97 2rbu h LYS 183 Ca 0.56 0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 60.10 2rbu h LYS 183 Cb 0.94 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.59 2rbu h LYS 183 CO -0.43 0.34 -0.23 -0.91 -2.06 0.00 0.00 179.45 176.15 2rbu h ASN 184 N 0.00 0.05 0.00 0.86 2.35 -1.40 -3.44 115.58 114.00 2rbu h ASN 184 Ca -0.00 -0.94 0.00 0.00 -0.55 0.00 0.00 56.30 54.81 2rbu h ASN 184 Cb 0.70 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.05 2rbu h ASN 184 CO 0.04 1.10 -0.05 -1.54 -1.65 0.00 0.00 177.43 175.33 2rbu n SER 185 N -4.54 0.25 0.00 5.81 3.41 -0.94 -4.71 113.62 112.90 2rbu n SER 185 Ca -0.13 -0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.11 2rbu n SER 185 Cb 0.54 0.79 0.00 0.00 -0.26 0.00 0.00 64.21 65.28 2rbu n SER 185 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2rbu n GLY 186 N 0.87 0.46 3.26 5.00 0.00 -0.40 -5.05 105.19 109.33 2rbu n GLY 186 Ca 0.00 -0.70 -0.24 0.00 0.00 0.00 0.00 46.02 45.08 2rbu n GLY 186 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2rbu s TYR 187 N -2.00 1.77 0.31 1.61 2.02 -1.26 -4.63 117.35 115.17 2rbu s TYR 187 Ca 0.00 -0.40 -0.04 0.00 -0.37 0.00 0.00 57.07 56.27 2rbu s TYR 187 Cb 0.00 -1.01 -0.05 0.00 -0.40 0.00 0.00 41.96 40.51 2rbu s TYR 187 CO 0.00 0.15 0.57 -2.00 -1.57 0.00 0.00 175.55 172.70 2rbu s GLU 188 N -1.58 3.59 0.91 -0.62 2.56 -1.26 -1.57 118.70 120.73 2rbu s GLU 188 Ca 0.06 -0.06 -0.16 0.00 0.00 0.00 0.00 54.97 54.81 2rbu s GLU 188 Cb -0.09 -2.63 -0.11 0.00 2.00 0.00 0.00 34.13 33.29 2rbu s GLU 188 CO 0.03 0.17 -0.45 0.41 -0.56 0.00 0.00 175.26 174.86 2rbu n GLY 189 N -1.22 -3.89 3.78 -1.50 0.00 -1.25 -4.43 105.19 96.68 2rbu n GLY 189 Ca -0.02 -0.69 -0.34 0.00 0.00 0.00 0.00 46.02 44.97 2rbu n GLY 189 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2rbu s PRO 190 N -2.16 3.45 0.21 1.61 0.04 -1.26 -4.97 135.00 131.92 2rbu s PRO 190 Ca 0.46 1.49 0.01 0.00 0.04 0.00 0.00 61.00 63.00 2rbu s PRO 190 Cb -0.24 -2.03 0.18 0.00 0.04 0.00 0.00 34.50 32.46 2rbu s PRO 190 CO 0.77 -0.75 1.53 0.78 0.04 0.00 0.00 177.00 179.37 2rbu h GLY 191 N 1.16 0.42 0.00 0.56 0.00 -1.97 -3.47 103.07 99.77 2rbu h GLY 191 Ca -0.49 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 46.33 2rbu h GLY 191 CO 0.57 0.45 0.00 0.61 0.00 0.00 0.00 176.54 178.18 2rbu n GLY 192 N 0.27 2.56 3.72 4.60 0.00 -1.26 -4.89 105.19 110.19 2rbu n GLY 192 Ca -0.03 -1.78 -0.33 0.00 0.00 0.00 0.00 46.02 43.87 2rbu n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rbu s ALA 193 N -2.80 2.01 0.34 4.61 0.00 -1.21 -4.83 121.76 119.88 2rbu s ALA 193 Ca 0.00 0.77 0.05 0.00 0.00 0.00 0.00 51.96 52.79 2rbu s ALA 193 Cb 0.00 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 2rbu s ALA 193 CO 0.00 -2.03 0.22 0.00 0.00 0.00 0.00 175.76 173.94 2rbu s ALA 194 N -2.19 2.09 0.20 0.00 0.00 -1.26 -4.96 121.76 115.64 2rbu s ALA 194 Ca 0.72 -1.80 -0.31 0.00 0.00 0.00 0.00 51.96 50.57 2rbu s ALA 194 Cb -0.27 1.26 -0.09 0.00 0.00 0.00 0.00 23.12 24.02 2rbu s ALA 194 CO 0.48 -0.56 1.43 1.21 0.00 0.00 0.00 175.76 178.32 2rbu s ASN 195 N -3.42 6.72 -0.08 0.00 2.47 -1.26 -4.76 114.94 114.61 2rbu s ASN 195 Ca 0.36 2.54 0.12 0.00 0.42 0.00 0.00 52.86 56.30 2rbu s ASN 195 Cb 0.03 -2.61 0.21 0.00 -1.45 0.00 0.00 41.25 37.44 2rbu s ASN 195 CO 0.22 -0.68 1.11 -0.46 -3.72 0.00 0.00 177.10 173.57 2rbu n ASN 196 N 3.01 1.28 -4.24 -4.21 0.23 -1.26 -1.04 115.26 109.02 2rbu n ASN 196 Ca 0.09 -2.68 -0.32 0.00 -0.53 0.00 0.00 54.58 51.14 2rbu n ASN 196 Cb 0.41 -0.34 -0.17 0.00 -2.08 0.00 0.00 39.78 37.60 2rbu n ASN 196 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 2rbu s VAL 197 N -1.57 2.05 -0.45 3.53 1.01 -1.26 -4.73 120.40 118.97 2rbu s VAL 197 Ca 0.21 -1.04 -0.28 0.00 0.00 0.00 0.00 61.98 60.88 2rbu s VAL 197 Cb 0.20 -1.76 0.03 0.00 0.00 0.00 0.00 36.38 34.85 2rbu s VAL 197 CO -0.01 0.56 1.05 0.12 0.00 0.00 0.00 175.10 176.82 2rbu s PHE 198 N 0.14 2.89 0.30 5.22 5.36 0.84 -4.87 117.98 127.86 2rbu s PHE 198 Ca -0.13 0.66 0.05 0.00 -0.96 0.00 0.00 56.93 56.54 2rbu s PHE 198 Cb -0.16 -4.19 -0.03 0.00 -0.34 0.00 0.00 43.02 38.30 2rbu s PHE 198 CO 0.07 -1.15 0.25 0.95 -1.46 0.00 0.00 175.22 173.87 2rbu s THR 199 N 4.12 0.00 -0.71 0.12 -4.23 -1.26 -4.37 115.64 109.30 2rbu s THR 199 Ca 0.44 -1.99 0.02 0.00 -1.18 0.00 0.00 61.69 58.99 2rbu s THR 199 Cb -0.09 -2.50 0.15 0.00 1.34 0.00 0.00 72.50 71.40 2rbu s THR 199 CO 0.28 0.00 0.82 -0.46 -0.54 0.00 0.00 174.62 174.72 2rbu n ASN 200 N -1.20 2.15 0.26 3.99 6.94 -1.26 -4.55 115.26 121.60 2rbu n ASN 200 Ca 0.06 -2.20 0.11 0.00 -0.02 0.00 0.00 54.58 52.52 2rbu n ASN 200 Cb 0.63 -0.54 0.71 0.00 -2.36 0.00 0.00 39.78 38.23 2rbu n ASN 200 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 2rbu h GLU 201 N 0.66 0.00 -0.65 -3.83 4.81 -1.95 -2.49 114.58 111.13 2rbu h GLU 201 Ca 0.02 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.33 2rbu h GLU 201 Cb 0.90 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.21 2rbu h GLU 201 CO 0.12 0.07 0.32 0.35 -0.73 0.00 0.00 179.01 179.13 2rbu h PHE 202 N 0.00 0.57 -0.16 0.92 3.57 -1.84 0.12 116.94 120.13 2rbu h PHE 202 Ca -0.00 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.43 2rbu h PHE 202 Cb 0.14 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.72 2rbu h PHE 202 CO 0.00 0.23 -0.29 1.88 -2.23 0.00 0.00 178.31 177.89 2rbu h TYR 203 N 0.57 0.60 -0.48 0.41 0.05 -1.80 -1.11 116.97 115.21 2rbu h TYR 203 Ca 0.31 -0.21 0.05 0.00 0.05 0.00 0.00 58.73 58.93 2rbu h TYR 203 Cb 0.29 -0.11 -0.05 0.00 1.01 0.00 0.00 36.73 37.87 2rbu h TYR 203 CO -0.11 0.92 0.22 -0.07 -1.05 0.00 0.00 178.16 178.07 2rbu h LEU 204 N 0.11 0.28 -0.40 3.88 3.38 -1.41 -2.01 115.31 119.14 2rbu h LEU 204 Ca 0.01 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2rbu h LEU 204 Cb 0.88 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 2rbu h LEU 204 CO 0.07 0.20 0.15 0.78 0.09 0.00 0.00 178.44 179.73 2rbu h ASN 205 N 0.42 0.56 -0.59 -0.43 2.35 -0.67 -0.11 115.58 117.12 2rbu h ASN 205 Ca 0.22 -0.18 0.10 0.00 -0.55 0.00 0.00 56.30 55.90 2rbu h ASN 205 Cb 0.17 -0.15 -0.08 0.00 0.05 0.00 0.00 38.32 38.32 2rbu h ASN 205 CO -0.18 0.59 0.18 -0.07 -1.65 0.00 0.00 177.43 176.29 2rbu h LEU 206 N 0.51 0.12 -0.14 1.61 3.38 -0.99 -1.70 115.31 118.10 2rbu h LEU 206 Ca 0.13 0.09 -0.21 0.00 0.09 0.00 0.00 57.88 57.98 2rbu h LEU 206 Cb 0.20 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2rbu h LEU 206 CO -0.01 0.08 -0.97 -0.07 0.09 0.00 0.00 178.44 177.55 2rbu h LEU 207 N 0.33 0.20 0.00 1.67 3.38 -1.04 -3.39 115.31 116.46 2rbu h LEU 207 Ca 0.31 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 2rbu h LEU 207 Cb 0.41 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2rbu h LEU 207 CO -0.34 1.06 -1.69 0.59 0.09 0.00 0.00 178.44 178.14 2rbu n ASN 208 N -3.55 1.73 -4.84 -0.43 3.02 -0.08 -5.00 115.26 106.11 2rbu n ASN 208 Ca -0.03 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.19 2rbu n ASN 208 Cb 0.88 1.53 -0.04 0.00 -0.61 0.00 0.00 39.78 41.54 2rbu n ASN 208 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2rbu s GLU 209 N -2.89 4.00 -0.71 3.52 0.41 -0.65 -5.01 118.70 117.36 2rbu s GLU 209 Ca -0.05 0.95 -0.20 0.00 -0.41 0.00 0.00 54.97 55.25 2rbu s GLU 209 Cb 0.08 -2.17 0.11 0.00 -1.78 0.00 0.00 34.13 30.37 2rbu s GLU 209 CO 0.59 -0.19 0.90 0.34 -0.49 0.00 0.00 175.26 176.41 2rbu s ASP 210 N -2.87 6.33 0.01 -0.19 2.15 -1.26 -4.98 116.67 115.85 2rbu s ASP 210 Ca 0.59 -1.52 -0.22 0.00 0.43 0.00 0.00 52.55 51.83 2rbu s ASP 210 Cb -0.10 -2.36 -0.05 0.00 -0.30 0.00 0.00 42.92 40.11 2rbu s ASP 210 CO 0.27 -1.18 0.65 0.26 -0.17 0.00 0.00 175.17 175.00 2rbu s TRP 211 N 3.00 3.69 -0.08 -5.34 0.52 -1.26 -4.27 118.94 115.19 2rbu s TRP 211 Ca 0.21 1.28 0.04 0.00 0.02 0.00 0.00 56.10 57.65 2rbu s TRP 211 Cb -0.16 -2.68 -0.01 0.00 -1.15 0.00 0.00 33.47 29.47 2rbu s TRP 211 CO 0.03 0.32 -0.22 0.15 0.02 0.00 0.00 176.95 177.25 2rbu s LYS 212 N -0.12 2.85 -0.43 4.98 -0.14 0.10 -4.91 119.74 122.08 2rbu s LYS 212 Ca 0.33 -0.84 -0.29 0.00 -1.36 0.00 0.00 55.97 53.81 2rbu s LYS 212 Cb -0.19 -2.31 0.02 0.00 -1.68 0.00 0.00 37.83 33.68 2rbu s LYS 212 CO 0.19 0.31 1.15 -1.17 -0.76 0.00 0.00 175.35 175.07 2rbu s LEU 213 N 0.03 3.71 0.31 3.17 2.96 -1.26 -0.51 118.68 127.10 2rbu s LEU 213 Ca -0.08 0.66 0.06 0.00 -0.22 0.00 0.00 54.13 54.55 2rbu s LEU 213 Cb -0.15 -3.55 -0.06 0.00 0.50 0.00 0.00 46.19 42.93 2rbu s LEU 213 CO 0.05 -1.17 -0.01 -1.61 -1.32 0.00 0.00 176.35 172.29 2rbu s GLU 214 N 4.28 1.65 -0.12 1.98 2.02 -0.19 -4.97 118.70 123.35 2rbu s GLU 214 Ca 0.49 -1.88 -0.05 0.00 0.02 0.00 0.00 54.97 53.54 2rbu s GLU 214 Cb -0.09 -1.14 -0.04 0.00 0.10 0.00 0.00 34.13 32.96 2rbu s GLU 214 CO 0.27 -0.05 0.08 0.15 0.02 0.00 0.00 175.26 175.73 2rbu s LYS 215 N -3.78 3.41 0.68 1.61 1.02 -1.26 -1.05 119.74 120.37 2rbu s LYS 215 Ca 0.33 -0.27 0.00 0.00 0.02 0.00 0.00 55.97 56.05 2rbu s LYS 215 Cb 0.06 -3.06 0.13 0.00 -0.52 0.00 0.00 37.83 34.45 2rbu s LYS 215 CO 0.14 0.64 0.93 0.27 -0.92 0.00 0.00 175.35 176.41 2rbu n ASN 216 N 2.38 1.32 0.11 2.83 0.23 -0.18 -4.93 115.26 117.02 2rbu n ASN 216 Ca -0.19 -2.10 0.10 0.00 -0.53 0.00 0.00 54.58 51.86 2rbu n ASN 216 Cb 0.54 -0.60 0.44 0.00 -2.08 0.00 0.00 39.78 38.08 2rbu n ASN 216 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2rbu n ASP 217 N -2.88 0.46 -0.87 0.53 8.00 -1.26 -0.73 116.55 119.81 2rbu n ASP 217 Ca 0.16 0.65 0.09 0.00 0.71 0.00 0.00 54.79 56.40 2rbu n ASP 217 Cb 0.56 -0.74 0.25 0.00 -0.02 0.00 0.00 41.12 41.17 2rbu n ASP 217 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2rbu n ALA 218 N -1.71 2.44 -1.64 2.24 0.00 -1.26 -4.93 120.51 115.66 2rbu n ALA 218 Ca 0.01 -0.81 -0.12 0.00 0.00 0.00 0.00 53.44 52.52 2rbu n ALA 218 Cb 0.13 -0.98 -0.04 0.00 0.00 0.00 0.00 19.45 18.57 2rbu n ALA 218 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2rbu n ASN 219 N 0.89 -4.33 -4.78 0.00 5.15 0.09 -5.03 115.26 107.25 2rbu n ASN 219 Ca 0.17 0.21 -0.33 0.00 -0.60 0.00 0.00 54.58 54.03 2rbu n ASN 219 Cb 0.43 -3.12 -0.07 0.00 -0.53 0.00 0.00 39.78 36.49 2rbu n ASN 219 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 2rbu s ASN 220 N -2.73 5.68 0.25 1.20 0.01 -1.26 -4.85 114.94 113.24 2rbu s ASN 220 Ca 0.00 0.14 -0.29 0.00 -0.71 0.00 0.00 52.86 52.01 2rbu s ASN 220 Cb 0.00 -1.63 -0.09 0.00 0.41 0.00 0.00 41.25 39.94 2rbu s ASN 220 CO 0.00 0.27 0.92 -1.61 -1.51 0.00 0.00 177.10 175.16 2rbu s GLU 221 N -1.78 4.76 0.11 -0.60 2.02 -1.26 -1.01 118.70 120.94 2rbu s GLU 221 Ca 0.23 1.41 -0.12 0.00 0.02 0.00 0.00 54.97 56.52 2rbu s GLU 221 Cb -0.12 -3.18 0.01 0.00 0.10 0.00 0.00 34.13 30.94 2rbu s GLU 221 CO 0.14 0.48 0.28 1.14 0.02 0.00 0.00 175.26 177.32 2rbu s GLN 222 N -1.36 0.96 -0.21 1.61 -2.07 -0.21 -4.60 119.66 113.78 2rbu s GLN 222 Ca 0.42 -0.88 -0.15 0.00 -1.82 0.00 0.00 55.36 52.93 2rbu s GLN 222 Cb -0.24 0.40 -0.04 0.00 -1.09 0.00 0.00 33.01 32.03 2rbu s GLN 222 CO 0.30 -0.34 0.36 -1.58 -1.32 0.00 0.00 175.29 172.70 2rbu s TRP 223 N -3.85 3.36 0.08 9.60 0.52 -0.43 -1.02 118.94 127.21 2rbu s TRP 223 Ca 0.05 0.55 0.09 0.00 0.02 0.00 0.00 56.10 56.81 2rbu s TRP 223 Cb 0.03 -2.48 -0.03 0.00 -1.15 0.00 0.00 33.47 29.84 2rbu s TRP 223 CO -0.10 -0.00 -0.24 -0.51 0.02 0.00 0.00 176.95 176.11 2rbu s ASP 224 N 1.05 2.97 0.20 2.95 1.01 0.33 -0.33 116.67 124.85 2rbu s ASP 224 Ca 0.17 -0.65 0.10 0.00 0.71 0.00 0.00 52.55 52.88 2rbu s ASP 224 Cb -0.15 -0.22 -0.04 0.00 1.01 0.00 0.00 42.92 43.52 2rbu s ASP 224 CO 0.07 0.18 -0.12 -0.94 0.21 0.00 0.00 175.17 174.57 2rbu s SER 225 N -1.63 4.08 0.40 0.27 1.04 -0.44 0.01 113.70 117.43 2rbu s SER 225 Ca 0.11 -0.68 0.14 0.00 0.48 0.00 0.00 55.95 55.99 2rbu s SER 225 Cb -0.10 -0.61 0.98 0.00 0.10 0.00 0.00 66.02 66.39 2rbu s SER 225 CO 0.04 0.09 1.88 0.11 0.98 0.00 0.00 173.24 176.33 2rbu h LYS 226 N 2.76 0.49 0.00 4.02 1.57 -1.90 -0.01 116.57 123.51 2rbu h LYS 226 Ca -0.46 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2rbu h LYS 226 Cb 1.22 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.42 2rbu h LYS 226 CO 0.54 0.33 0.00 0.77 -0.57 0.00 0.00 179.45 180.52 2rbu h SER 227 N 0.51 0.00 0.00 0.86 0.02 -1.95 -3.45 113.55 109.53 2rbu h SER 227 Ca 0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.38 2rbu h SER 227 Cb 0.91 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.45 2rbu h SER 227 CO -0.17 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.13 2rbu n GLY 228 N -1.02 0.89 3.94 -3.77 0.00 -0.02 -5.10 105.19 100.12 2rbu n GLY 228 Ca -0.01 -0.13 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 2rbu n GLY 228 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2rbu s TYR 229 N -2.00 3.40 0.05 1.61 2.02 -1.25 -4.80 117.35 116.39 2rbu s TYR 229 Ca 0.00 0.42 -0.00 0.00 -0.37 0.00 0.00 57.07 57.12 2rbu s TYR 229 Cb 0.00 -2.17 -0.03 0.00 -0.40 0.00 0.00 41.96 39.36 2rbu s TYR 229 CO 0.00 -0.18 -0.04 0.00 -1.57 0.00 0.00 175.55 173.77 2rbu s MET 230 N -4.52 0.56 -0.01 -0.62 0.23 -1.26 -1.32 119.30 112.35 2rbu s MET 230 Ca 0.45 -1.07 0.03 0.00 -1.03 0.00 0.00 55.69 54.07 2rbu s MET 230 Cb -0.10 0.11 -0.01 0.00 -1.53 0.00 0.00 34.83 33.31 2rbu s MET 230 CO 0.39 -0.08 -0.10 -1.64 -2.03 0.00 0.00 175.02 171.56 2rbu s MET 231 N -3.22 0.90 0.67 3.16 -1.94 0.55 -5.00 119.30 114.42 2rbu s MET 231 Ca 0.01 -0.36 -0.16 0.00 -1.71 0.00 0.00 55.69 53.47 2rbu s MET 231 Cb 0.03 -0.86 0.01 0.00 2.01 0.00 0.00 34.83 36.01 2rbu s MET 231 CO -0.07 0.20 1.15 -0.51 -0.01 0.00 0.00 175.02 175.78 2rbu s LEU 232 N -0.13 3.42 0.27 -0.03 1.43 -1.26 -1.31 118.68 121.06 2rbu s LEU 232 Ca 0.02 2.17 0.00 0.00 -1.03 0.00 0.00 54.13 55.29 2rbu s LEU 232 Cb -0.05 -4.57 0.60 0.00 0.03 0.00 0.00 46.19 42.19 2rbu s LEU 232 CO -0.00 -1.80 1.74 -0.65 0.23 0.00 0.00 176.35 175.86 2rbu h PRO 233 N 0.10 0.51 -0.25 1.29 0.11 -1.80 -0.49 132.00 131.47 2rbu h PRO 233 Ca -0.48 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 2rbu h PRO 233 Cb 1.27 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2rbu h PRO 233 CO 0.53 0.34 0.08 1.79 -0.21 0.00 0.00 178.00 180.53 2rbu h THR 234 N 0.53 1.11 0.20 -1.15 1.35 -1.38 -1.24 112.91 112.32 2rbu h THR 234 Ca 0.49 -0.37 -0.01 0.00 -0.55 0.00 0.00 66.41 65.97 2rbu h THR 234 Cb 0.80 0.84 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 2rbu h THR 234 CO -0.43 0.14 -0.10 0.44 -0.25 0.00 0.00 175.52 175.33 2rbu h ASP 235 N 0.35 -0.23 0.09 5.36 3.32 -1.46 -3.13 116.42 120.72 2rbu h ASP 235 Ca 0.09 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 2rbu h ASP 235 Cb 0.11 0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.72 2rbu h ASP 235 CO -0.01 0.02 -0.06 0.22 -1.72 0.00 0.00 179.24 177.70 2rbu h TYR 236 N -0.48 0.00 0.00 4.55 3.20 -0.97 -1.87 116.97 121.40 2rbu h TYR 236 Ca -0.03 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 2rbu h TYR 236 Cb 0.36 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.63 2rbu h TYR 236 CO -0.00 0.06 -0.03 0.66 -1.64 0.00 0.00 178.16 177.20 2rbu h SER 237 N 0.00 0.00 0.86 -2.11 4.64 -1.17 -1.18 113.55 114.59 2rbu h SER 237 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2rbu h SER 237 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 2rbu h SER 237 CO 0.01 0.03 0.00 -0.07 -0.87 0.00 0.00 176.83 175.93 2rbu h LEU 238 N 0.00 0.00 -0.37 5.97 3.38 -1.44 -2.01 115.31 120.84 2rbu h LEU 238 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2rbu h LEU 238 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2rbu h LEU 238 CO 0.00 0.00 -0.60 2.30 0.09 0.00 0.00 178.44 180.23 2rbu n ILE 239 N -2.82 0.00 0.08 1.22 -5.35 -0.46 -1.79 119.36 110.24 2rbu n ILE 239 Ca 0.01 -0.20 -0.17 0.00 -0.27 0.00 0.00 62.75 62.12 2rbu n ILE 239 Cb 0.27 1.08 -0.14 0.00 -1.74 0.00 0.00 39.64 39.11 2rbu n ILE 239 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 2rbu h GLN 240 N 0.79 0.27 -5.84 6.28 4.20 -1.21 -3.45 115.11 116.14 2rbu h GLN 240 Ca 0.00 -0.45 -0.58 0.00 0.06 0.00 0.00 58.65 57.68 2rbu h GLN 240 Cb 0.47 0.17 -0.07 0.00 0.30 0.00 0.00 27.48 28.34 2rbu h GLN 240 CO 0.00 1.16 0.05 0.34 -0.67 0.00 0.00 178.83 179.71 2rbu s ASP 241 N -7.06 6.81 0.41 1.46 -1.08 -0.81 -4.98 116.67 111.43 2rbu s ASP 241 Ca -0.07 0.98 0.11 0.00 -0.52 0.00 0.00 52.55 53.05 2rbu s ASP 241 Cb 0.07 -2.36 0.86 0.00 -1.46 0.00 0.00 42.92 40.03 2rbu s ASP 241 CO 0.87 -0.14 1.95 1.55 0.52 0.00 0.00 175.17 179.92 2rbu h PRO 242 N 6.99 0.18 -0.09 4.34 0.13 -1.91 -0.34 132.00 141.30 2rbu h PRO 242 Ca -0.38 -0.04 -0.05 0.00 -0.87 0.00 0.00 66.00 64.67 2rbu h PRO 242 Cb 1.17 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 2rbu h PRO 242 CO 0.76 0.31 -0.14 0.87 -0.23 0.00 0.00 178.00 179.58 2rbu h LYS 243 N 0.18 0.26 -0.90 0.86 1.57 -1.93 -2.67 116.57 113.93 2rbu h LYS 243 Ca 0.04 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 2rbu h LYS 243 Cb 0.32 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.60 2rbu h LYS 243 CO 0.02 0.72 0.57 1.88 -0.57 0.00 0.00 179.45 182.06 2rbu h TYR 244 N -0.18 1.17 -0.75 -1.35 0.05 -1.76 -3.12 116.97 111.03 2rbu h TYR 244 Ca 0.01 0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.81 2rbu h TYR 244 Cb 0.69 -0.39 -0.04 0.00 1.01 0.00 0.00 36.73 38.00 2rbu h TYR 244 CO 0.10 0.76 0.49 1.25 -1.05 0.00 0.00 178.16 179.72 2rbu h LEU 245 N 1.24 0.85 -1.30 3.88 5.85 -0.24 0.21 115.31 125.80 2rbu h LEU 245 Ca 0.33 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.03 2rbu h LEU 245 Cb -0.09 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.70 2rbu h LEU 245 CO -0.07 0.61 0.44 0.77 -0.34 0.00 0.00 178.44 179.86 2rbu h SER 246 N 1.01 0.80 -0.11 1.25 4.64 -1.41 -1.12 113.55 118.60 2rbu h SER 246 Ca 0.28 -0.03 -0.22 0.00 -0.47 0.00 0.00 61.79 61.35 2rbu h SER 246 Cb -0.10 -0.20 0.01 0.00 -0.31 0.00 0.00 62.40 61.80 2rbu h SER 246 CO -0.07 0.59 -0.76 0.40 -0.87 0.00 0.00 176.83 176.13 2rbu h ILE 247 N 0.94 1.29 -0.47 0.95 2.04 -1.34 -1.97 117.51 118.95 2rbu h ILE 247 Ca 0.25 -1.97 0.07 0.00 1.00 0.00 0.00 64.86 64.21 2rbu h ILE 247 Cb -0.09 1.97 -0.06 0.00 -0.74 0.00 0.00 36.82 37.90 2rbu h ILE 247 CO -0.05 0.62 0.12 0.58 0.00 0.00 0.00 178.15 179.42 2rbu h VAL 248 N 0.52 0.78 -0.83 1.67 2.07 -0.70 -1.19 116.25 118.56 2rbu h VAL 248 Ca -0.05 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 2rbu h VAL 248 Cb 1.38 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.60 2rbu h VAL 248 CO 0.15 0.05 0.42 0.11 0.02 0.00 0.00 177.57 178.33 2rbu h LYS 249 N 0.27 1.18 -0.11 1.57 1.57 -1.06 -0.23 116.57 119.76 2rbu h LYS 249 Ca 0.23 -0.16 0.02 0.00 -1.87 0.00 0.00 60.65 58.87 2rbu h LYS 249 Cb 0.28 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 2rbu h LYS 249 CO -0.28 0.89 -0.02 0.93 -0.57 0.00 0.00 179.45 180.40 2rbu h GLU 250 N 1.18 0.01 -0.09 3.15 5.08 -0.64 -2.30 114.58 120.97 2rbu h GLU 250 Ca 0.29 -0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.50 2rbu h GLU 250 Cb 0.08 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2rbu h GLU 250 CO -0.04 0.01 -0.59 1.88 -1.00 0.00 0.00 179.01 179.26 2rbu h TYR 251 N 0.01 0.37 0.00 4.33 0.05 -0.99 -2.19 116.97 118.56 2rbu h TYR 251 Ca 0.05 -0.14 -0.01 0.00 0.05 0.00 0.00 58.73 58.68 2rbu h TYR 251 Cb 0.07 -0.07 -0.00 0.00 1.01 0.00 0.00 36.73 37.74 2rbu h TYR 251 CO -0.15 0.81 -0.06 0.00 -1.05 0.00 0.00 178.16 177.72 2rbu h ALA 252 N 1.16 1.35 -0.31 3.88 0.00 -0.83 -2.88 119.26 121.63 2rbu h ALA 252 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2rbu h ALA 252 Cb 1.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2rbu h ALA 252 CO 0.10 0.07 0.00 0.09 0.00 0.00 0.00 179.25 179.50 2rbu n ASN 253 N -3.67 2.83 -3.26 0.00 3.02 -0.88 -4.83 115.26 108.47 2rbu n ASN 253 Ca -0.02 -1.90 -0.05 0.00 -0.03 0.00 0.00 54.58 52.58 2rbu n ASN 253 Cb 0.16 -0.20 -0.04 0.00 -0.61 0.00 0.00 39.78 39.09 2rbu n ASN 253 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2rbu s ASP 254 N -1.01 -0.50 0.22 6.41 -1.08 -0.86 -5.02 116.67 114.83 2rbu s ASP 254 Ca 0.24 -0.91 -0.08 0.00 -0.52 0.00 0.00 52.55 51.27 2rbu s ASP 254 Cb 0.13 1.44 0.18 0.00 -1.46 0.00 0.00 42.92 43.21 2rbu s ASP 254 CO 0.17 -0.23 1.85 1.56 0.52 0.00 0.00 175.17 179.05 2rbu h GLN 255 N 7.22 1.15 -0.43 4.34 4.20 -1.89 -1.89 115.11 127.81 2rbu h GLN 255 Ca 0.03 -0.12 -0.06 0.00 0.06 0.00 0.00 58.65 58.57 2rbu h GLN 255 Cb 1.14 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 28.67 2rbu h GLN 255 CO 0.15 0.82 0.04 0.22 -0.67 0.00 0.00 178.83 179.40 2rbu h ASP 256 N 1.15 0.71 -0.48 1.46 -0.00 -1.95 -0.51 116.42 116.79 2rbu h ASP 256 Ca 0.30 -0.28 -0.02 0.00 -0.00 0.00 0.00 57.03 57.03 2rbu h ASP 256 Cb -0.01 -0.19 -0.02 0.00 -0.00 0.00 0.00 39.33 39.11 2rbu h ASP 256 CO -0.05 0.81 0.23 0.50 -0.00 0.00 0.00 179.24 180.73 2rbu h LYS 257 N 0.58 0.70 -0.11 0.28 1.63 -1.91 -0.49 116.57 117.25 2rbu h LYS 257 Ca 0.13 -0.11 0.03 0.00 -0.85 0.00 0.00 60.65 59.85 2rbu h LYS 257 Cb 0.43 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 31.90 2rbu h LYS 257 CO 0.01 0.59 -0.05 0.35 -3.45 0.00 0.00 179.45 176.91 2rbu h PHE 258 N 0.64 -0.11 -0.53 1.91 3.57 -1.16 -0.88 116.94 120.38 2rbu h PHE 258 Ca 0.17 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.75 2rbu h PHE 258 Cb 0.13 0.07 -0.06 0.00 2.79 0.00 0.00 35.95 38.87 2rbu h PHE 258 CO -0.01 -0.08 0.21 0.74 -2.23 0.00 0.00 178.31 176.94 2rbu h PHE 259 N -0.04 0.37 -0.45 0.41 -1.00 -0.71 0.19 116.94 115.71 2rbu h PHE 259 Ca 0.06 0.03 -0.03 0.00 2.81 0.00 0.00 57.97 60.84 2rbu h PHE 259 Cb 0.13 -0.09 -0.02 0.00 3.61 0.00 0.00 35.95 39.58 2rbu h PHE 259 CO -0.17 0.13 0.17 0.87 -1.61 0.00 0.00 178.31 177.69 2rbu h LYS 260 N 0.40 0.68 -0.26 1.51 1.57 -0.91 -1.06 116.57 118.50 2rbu h LYS 260 Ca 0.25 -0.13 -0.16 0.00 -1.87 0.00 0.00 60.65 58.74 2rbu h LYS 260 Cb 0.26 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.46 2rbu h LYS 260 CO -0.24 0.63 -0.46 -0.44 -0.57 0.00 0.00 179.45 178.37 2rbu h ASP 261 N 0.58 0.86 -0.49 0.86 3.32 -0.85 -2.46 116.42 118.24 2rbu h ASP 261 Ca 0.15 -0.53 0.01 0.00 0.02 0.00 0.00 57.03 56.67 2rbu h ASP 261 Cb 0.22 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 2rbu h ASP 261 CO -0.01 1.22 0.32 0.15 -1.72 0.00 0.00 179.24 179.21 2rbu h PHE 262 N 0.52 0.61 -0.53 4.55 3.57 -0.58 -1.27 116.94 123.82 2rbu h PHE 262 Ca 0.02 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.55 2rbu h PHE 262 Cb 1.06 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.56 2rbu h PHE 262 CO 0.08 0.38 0.32 1.03 -2.23 0.00 0.00 178.31 177.89 2rbu h SER 263 N 0.66 0.53 -0.37 0.41 0.87 -1.06 0.15 113.55 114.74 2rbu h SER 263 Ca 0.18 -0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.69 2rbu h SER 263 Cb -0.07 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.76 2rbu h SER 263 CO -0.04 0.38 0.05 0.11 -0.53 0.00 0.00 176.83 176.80 2rbu h LYS 264 N 0.65 0.62 -0.18 2.24 1.57 -1.28 -1.50 116.57 118.68 2rbu h LYS 264 Ca 0.21 -0.17 -0.16 0.00 -1.87 0.00 0.00 60.65 58.66 2rbu h LYS 264 Cb -0.00 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2rbu h LYS 264 CO -0.08 0.69 -0.55 0.00 -0.57 0.00 0.00 179.45 178.93 2rbu h ALA 265 N 0.91 0.69 -0.25 3.86 0.00 -0.93 -1.06 119.26 122.48 2rbu h ALA 265 Ca 0.11 -0.51 -0.11 0.00 0.00 0.00 0.00 54.91 54.40 2rbu h ALA 265 Cb 0.37 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2rbu h ALA 265 CO 0.01 0.69 -0.27 0.35 0.00 0.00 0.00 179.25 180.02 2rbu h PHE 266 N 0.43 0.76 -0.18 0.00 3.57 -0.65 0.23 116.94 121.09 2rbu h PHE 266 Ca 0.01 -0.23 0.01 0.00 3.53 0.00 0.00 57.97 61.28 2rbu h PHE 266 Cb 1.10 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 2rbu h PHE 266 CO 0.05 0.96 0.10 1.49 -2.23 0.00 0.00 178.31 178.67 2rbu h GLU 267 N 0.34 0.20 -0.35 1.11 4.81 -1.19 -1.16 114.58 118.34 2rbu h GLU 267 Ca 0.04 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.32 2rbu h GLU 267 Cb 0.84 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 30.11 2rbu h GLU 267 CO 0.07 0.13 -0.05 -0.22 -0.73 0.00 0.00 179.01 178.21 2rbu h LYS 268 N 0.21 0.04 -0.44 1.92 3.64 -1.05 -0.77 116.57 120.11 2rbu h LYS 268 Ca 0.07 -0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.53 2rbu h LYS 268 Cb 0.00 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 31.75 2rbu h LYS 268 CO -0.04 0.03 0.04 1.25 -2.27 0.00 0.00 179.45 178.45 2rbu h LEU 269 N 0.04 -0.10 -1.06 5.20 5.85 -0.75 0.29 115.31 124.78 2rbu h LEU 269 Ca 0.17 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.98 2rbu h LEU 269 Cb 0.25 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.43 2rbu h LEU 269 CO -0.33 -0.02 0.00 -0.07 -0.34 0.00 0.00 178.44 177.68 2rbu h LEU 270 N 0.16 0.00 -0.38 2.25 4.07 -0.50 -3.07 115.31 117.83 2rbu h LEU 270 Ca 0.22 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.18 2rbu h LEU 270 Cb 0.31 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.05 2rbu h LEU 270 CO -0.33 0.00 -0.48 -0.62 -1.08 0.00 0.00 178.44 175.92 2rbu n GLU 271 N -2.61 2.20 -1.67 1.13 1.02 -0.36 -4.69 120.64 115.65 2rbu n GLU 271 Ca 0.01 -0.34 -0.45 0.00 -0.02 0.00 0.00 57.16 56.36 2rbu n GLU 271 Cb 0.26 -1.18 -0.03 0.00 -0.02 0.00 0.00 31.44 30.47 2rbu n GLU 271 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2rbu n ASP 272 N -0.79 2.83 0.00 1.62 8.00 -0.01 -1.68 116.55 126.52 2rbu n ASP 272 Ca 0.04 1.13 0.00 0.00 0.71 0.00 0.00 54.79 56.67 2rbu n ASP 272 Cb 0.25 -1.43 0.00 0.00 -0.02 0.00 0.00 41.12 39.93 2rbu n ASP 272 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2rbu n GLY 273 N 2.46 1.18 3.73 0.44 0.00 -1.26 -4.42 105.19 107.33 2rbu n GLY 273 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 2rbu n GLY 273 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2rbu s ILE 274 N -2.46 5.37 -0.27 -0.61 1.01 -0.68 -4.22 121.20 119.35 2rbu s ILE 274 Ca 0.00 0.34 -0.17 0.00 0.00 0.00 0.00 60.65 60.81 2rbu s ILE 274 Cb 0.00 -3.53 -0.03 0.00 0.01 0.00 0.00 42.46 38.91 2rbu s ILE 274 CO 0.00 0.42 0.49 -0.89 0.00 0.00 0.00 174.94 174.97 2rbu s THR 275 N 0.36 5.08 -0.30 2.92 2.01 0.41 -4.97 115.64 121.15 2rbu s THR 275 Ca 0.12 0.77 -0.14 0.00 0.31 0.00 0.00 61.69 62.75 2rbu s THR 275 Cb -0.12 -3.82 -0.03 0.00 0.01 0.00 0.00 72.50 68.54 2rbu s THR 275 CO 0.01 0.06 0.32 -0.36 -0.69 0.00 0.00 174.62 173.96 2rbu s PHE 276 N 2.28 3.23 0.59 4.92 0.08 -1.26 -0.68 117.98 127.14 2rbu s PHE 276 Ca 0.20 0.19 -0.18 0.00 0.12 0.00 0.00 56.93 57.26 2rbu s PHE 276 Cb -0.16 -2.55 -0.07 0.00 -0.57 0.00 0.00 43.02 39.67 2rbu s PHE 276 CO 0.10 -0.28 0.63 -2.30 -0.10 0.00 0.00 175.22 173.27 2rbu n PRO 277 N 5.28 0.58 0.08 0.24 -0.02 -1.26 -4.86 135.00 135.03 2rbu n PRO 277 Ca -0.10 0.23 0.16 0.00 -2.02 0.00 0.00 63.50 61.77 2rbu n PRO 277 Cb 0.51 -1.82 0.66 0.00 -0.02 0.00 0.00 33.50 32.83 2rbu n PRO 277 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 2rbu h LYS 278 N 0.25 0.03 -0.58 -0.52 -0.00 -2.01 -1.08 116.57 112.66 2rbu h LYS 278 Ca -0.46 -0.00 -0.12 0.00 -0.00 0.00 0.00 60.65 60.07 2rbu h LYS 278 Cb 1.39 -0.01 -0.07 0.00 -0.00 0.00 0.00 32.23 33.54 2rbu h LYS 278 CO 0.48 0.02 0.13 -0.40 -0.00 0.00 0.00 179.45 179.67 2rbu n ASP 279 N -4.44 4.76 -4.75 7.07 3.85 -1.26 -4.98 116.55 116.81 2rbu n ASP 279 Ca 0.06 -3.15 -0.34 0.00 -0.71 0.00 0.00 54.79 50.65 2rbu n ASP 279 Cb 0.43 -0.69 0.06 0.00 -1.35 0.00 0.00 41.12 39.57 2rbu n ASP 279 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2rbu s ALA 280 N -2.93 2.38 0.75 2.12 0.00 -0.41 -4.99 121.76 118.69 2rbu s ALA 280 Ca 0.52 0.70 -0.15 0.00 0.00 0.00 0.00 51.96 53.03 2rbu s ALA 280 Cb 0.41 -3.38 0.05 0.00 0.00 0.00 0.00 23.12 20.21 2rbu s ALA 280 CO 0.12 -1.41 1.24 -2.14 0.00 0.00 0.00 175.76 173.57 2rbu s PRO 281 N -3.93 1.94 0.80 0.00 0.02 -1.26 -4.98 135.00 127.59 2rbu s PRO 281 Ca 0.70 1.88 -0.12 0.00 0.02 0.00 0.00 61.00 63.48 2rbu s PRO 281 Cb -0.24 -1.80 0.08 0.00 0.02 0.00 0.00 34.50 32.56 2rbu s PRO 281 CO 0.41 -2.02 1.13 -1.12 -0.33 0.00 0.00 177.00 175.07 2rbu s SER 282 N -1.87 3.97 0.51 2.53 0.01 -1.26 -4.95 113.70 112.64 2rbu s SER 282 Ca 0.77 2.07 -0.23 0.00 1.31 0.00 0.00 55.95 59.87 2rbu s SER 282 Cb -0.32 -2.55 -0.07 0.00 0.21 0.00 0.00 66.02 63.29 2rbu s SER 282 CO 0.47 -2.40 1.31 -2.65 0.41 0.00 0.00 173.24 170.38 2rbu n PRO 283 N -3.48 1.76 -3.41 12.44 -0.02 -1.26 -4.95 135.00 136.08 2rbu n PRO 283 Ca 0.11 0.64 -0.36 0.00 -2.02 0.00 0.00 63.50 61.87 2rbu n PRO 283 Cb 0.52 -2.50 -0.06 0.00 -0.02 0.00 0.00 33.50 31.44 2rbu n PRO 283 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2rbu s PHE 284 N -1.27 3.67 -0.29 6.00 0.08 0.91 -4.80 117.98 122.28 2rbu s PHE 284 Ca 0.68 1.04 0.01 0.00 0.12 0.00 0.00 56.93 58.78 2rbu s PHE 284 Cb -0.44 -2.34 0.06 0.00 -0.57 0.00 0.00 43.02 39.73 2rbu s PHE 284 CO 0.52 0.53 -0.03 0.42 -0.10 0.00 0.00 175.22 176.56 2rbu s ILE 285 N -1.29 2.57 0.29 0.64 1.01 -1.26 -1.15 121.20 122.00 2rbu s ILE 285 Ca 0.32 -1.65 -0.28 0.00 0.00 0.00 0.00 60.65 59.03 2rbu s ILE 285 Cb -0.16 -2.56 -0.09 0.00 0.01 0.00 0.00 42.46 39.65 2rbu s ILE 285 CO 0.18 -0.17 0.98 -0.36 0.00 0.00 0.00 174.94 175.56 2rbu s PHE 286 N 1.14 3.77 0.29 3.97 0.08 -1.26 -5.03 117.98 120.93 2rbu s PHE 286 Ca -0.04 1.82 -0.29 0.00 0.12 0.00 0.00 56.93 58.54 2rbu s PHE 286 Cb -0.20 -3.03 -0.09 0.00 -0.57 0.00 0.00 43.02 39.12 2rbu s PHE 286 CO -0.04 0.11 1.08 0.15 -0.10 0.00 0.00 175.22 176.42 2rbu s LYS 287 N -1.60 4.59 0.82 0.44 -0.14 -1.26 -4.99 119.74 117.60 2rbu s LYS 287 Ca 0.46 1.74 -0.11 0.00 -1.36 0.00 0.00 55.97 56.69 2rbu s LYS 287 Cb -0.25 -3.10 0.08 0.00 -1.68 0.00 0.00 37.83 32.88 2rbu s LYS 287 CO 0.31 0.19 1.09 0.95 -0.76 0.00 0.00 175.35 177.12 2rbu s THR 288 N -1.23 3.05 0.23 2.17 -4.23 -1.26 -4.88 115.64 109.48 2rbu s THR 288 Ca 0.46 0.34 -0.06 0.00 -1.18 0.00 0.00 61.69 61.25 2rbu s THR 288 Cb -0.30 -2.93 0.18 0.00 1.34 0.00 0.00 72.50 70.79 2rbu s THR 288 CO 0.38 -0.45 1.77 -0.07 -0.54 0.00 0.00 174.62 175.71 2rbu h LEU 289 N -1.24 0.41 -0.84 4.79 3.38 -1.97 -2.01 115.31 117.83 2rbu h LEU 289 Ca -0.47 0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.58 2rbu h LEU 289 Cb 1.26 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.98 2rbu h LEU 289 CO 0.55 0.22 0.56 -0.08 0.09 0.00 0.00 178.44 179.78 2rbu h GLU 290 N 0.56 1.10 0.00 1.13 4.81 -1.92 0.23 114.58 120.48 2rbu h GLU 290 Ca 0.36 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.48 2rbu h GLU 290 Cb 0.43 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 2rbu h GLU 290 CO -0.30 0.73 -0.23 0.93 -0.73 0.00 0.00 179.01 179.40 2rbu h GLU 291 N 1.13 0.00 -0.01 1.92 5.08 -1.77 -2.47 114.58 118.47 2rbu h GLU 291 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 2rbu h GLU 291 Cb -0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.13 2rbu h GLU 291 CO -0.07 0.23 -0.15 1.04 -1.00 0.00 0.00 179.01 179.06 2rbu n GLN 292 N -4.25 0.81 -1.99 2.33 6.02 -0.37 -4.92 117.38 115.01 2rbu n GLN 292 Ca -0.02 -0.36 -0.12 0.00 -0.01 0.00 0.00 57.00 56.48 2rbu n GLN 292 Cb 0.29 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 30.04 2rbu n GLN 292 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2rbu n GLY 293 N 1.29 0.27 0.80 1.08 0.00 -0.64 -5.08 105.19 102.90 2rbu n GLY 293 Ca 0.14 -0.40 0.10 0.00 0.00 0.00 0.00 46.02 45.86 2rbu n GLY 293 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36