#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r8y s ALA 9 N 0.00 3.46 0.11 1.47 0.00 -1.26 -0.52 121.76 125.02 2r8y s ALA 9 Ca 0.00 0.12 0.01 0.00 0.00 0.00 0.00 51.96 52.09 2r8y s ALA 9 Cb 0.00 -2.82 -0.04 0.00 0.00 0.00 0.00 23.12 20.26 2r8y s ALA 9 CO 0.00 0.17 -0.02 0.95 0.00 0.00 0.00 175.76 176.85 2r8y s THR 10 N -0.30 0.49 -1.53 0.00 -4.23 -1.17 -4.93 115.64 103.98 2r8y s THR 10 Ca 0.33 -1.91 0.14 0.00 -1.18 0.00 0.00 61.69 59.07 2r8y s THR 10 Cb -0.19 -1.80 0.28 0.00 1.34 0.00 0.00 72.50 72.13 2r8y s THR 10 CO 0.19 -0.75 1.37 0.00 -0.54 0.00 0.00 174.62 174.89 2r8y n TYR 12 N -1.23 0.00 0.00 0.00 4.02 -1.26 -5.10 117.16 113.58 2r8y n TYR 12 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.97 2r8y n TYR 12 Cb 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.42 2r8y n TYR 12 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2r8y n GLY 13 N 1.00 1.97 3.72 2.72 0.00 0.05 -4.94 105.19 109.70 2r8y n GLY 13 Ca 0.07 -2.21 -0.40 0.00 0.00 0.00 0.00 46.02 43.49 2r8y n GLY 13 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2r8y n PRO 14 N -0.95 1.88 -4.30 1.61 -0.02 -1.26 -3.05 135.00 128.90 2r8y n PRO 14 Ca 0.00 0.67 -0.23 0.00 -2.02 0.00 0.00 63.50 61.93 2r8y n PRO 14 Cb 0.00 -2.47 -0.12 0.00 -0.02 0.00 0.00 33.50 30.90 2r8y n PRO 14 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2r8y s VAL 15 N -1.24 1.74 0.70 -1.45 -7.23 0.32 -4.92 120.40 108.32 2r8y s VAL 15 Ca 0.64 -1.71 -0.15 0.00 -1.81 0.00 0.00 61.98 58.96 2r8y s VAL 15 Cb -0.47 -1.68 0.02 0.00 0.56 0.00 0.00 36.38 34.82 2r8y s VAL 15 CO 0.55 -0.18 1.15 -0.94 -0.31 0.00 0.00 175.10 175.37 2r8y s SER 16 N -2.25 4.62 0.33 4.85 1.04 -1.26 -4.60 113.70 116.42 2r8y s SER 16 Ca 0.10 2.16 0.05 0.00 0.48 0.00 0.00 55.95 58.75 2r8y s SER 16 Cb -0.08 -2.57 0.69 0.00 0.10 0.00 0.00 66.02 64.17 2r8y s SER 16 CO 0.05 -1.97 1.89 0.00 0.98 0.00 0.00 173.24 174.20 2r8y h ALA 17 N -0.19 1.69 -0.30 5.32 0.00 -1.99 -2.18 119.26 121.60 2r8y h ALA 17 Ca -0.47 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 2r8y h ALA 17 Cb 1.27 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2r8y h ALA 17 CO 0.52 0.12 -0.03 0.22 0.00 0.00 0.00 179.25 180.08 2r8y h ASP 18 N 0.83 0.55 -0.78 0.00 3.58 -1.99 -0.88 116.42 117.73 2r8y h ASP 18 Ca 0.42 -0.33 -0.05 0.00 0.42 0.00 0.00 57.03 57.49 2r8y h ASP 18 Cb 0.47 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.34 2r8y h ASP 18 CO -0.18 0.75 0.29 0.58 -2.88 0.00 0.00 179.24 177.80 2r8y h VAL 19 N 0.34 1.26 -0.47 2.25 2.07 -1.86 -1.41 116.25 118.43 2r8y h VAL 19 Ca 0.08 -0.85 -0.04 0.00 0.82 0.00 0.00 66.70 66.71 2r8y h VAL 19 Cb 0.48 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 2r8y h VAL 19 CO 0.02 0.34 0.14 -0.03 0.02 0.00 0.00 177.57 178.06 2r8y h MET 20 N 1.14 0.73 -0.68 1.57 1.85 -1.26 -0.15 114.93 118.13 2r8y h MET 20 Ca 0.26 -0.16 -0.02 0.00 -0.61 0.00 0.00 59.70 59.16 2r8y h MET 20 Cb 0.24 -0.10 -0.03 0.00 0.43 0.00 0.00 31.60 32.14 2r8y h MET 20 CO -0.02 0.70 0.33 0.00 -0.40 0.00 0.00 176.91 177.53 2r8y h ALA 21 N 0.99 0.88 -0.61 0.39 0.00 -0.92 -0.23 119.26 119.76 2r8y h ALA 21 Ca 0.15 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2r8y h ALA 21 Cb 0.28 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2r8y h ALA 21 CO -0.00 0.44 0.34 0.87 0.00 0.00 0.00 179.25 180.89 2r8y h LYS 22 N 0.95 0.85 -0.22 0.00 1.57 -1.07 -2.89 116.57 115.76 2r8y h LYS 22 Ca 0.23 -0.10 -0.08 0.00 -1.87 0.00 0.00 60.65 58.84 2r8y h LYS 22 Cb 0.12 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 2r8y h LYS 22 CO -0.03 0.64 -0.21 0.00 -0.57 0.00 0.00 179.45 179.29 2r8y h ALA 23 N 1.16 1.25 -0.00 3.86 0.00 -0.57 -2.87 119.26 122.09 2r8y h ALA 23 Ca 0.22 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2r8y h ALA 23 Cb 0.04 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2r8y h ALA 23 CO -0.04 0.49 -0.10 1.49 0.00 0.00 0.00 179.25 181.09 2r8y h GLU 24 N 0.35 0.00 -0.04 0.00 4.22 -0.83 -2.53 114.58 115.75 2r8y h GLU 24 Ca 0.06 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.50 2r8y h GLU 24 Cb 0.56 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2r8y h GLU 24 CO 0.04 0.11 0.00 0.09 -2.18 0.00 0.00 179.01 177.07 2r8y n ASN 25 N -4.41 1.15 -4.65 1.04 4.13 -1.08 -4.75 115.26 106.69 2r8y n ASN 25 Ca -0.03 -1.44 -0.43 0.00 1.68 0.00 0.00 54.58 54.36 2r8y n ASN 25 Cb 0.18 -0.02 -0.02 0.00 -1.54 0.00 0.00 39.78 38.38 2r8y n ASN 25 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2r8y s ILE 26 N -1.96 4.36 -0.14 2.41 -1.09 -0.96 -4.53 121.20 119.30 2r8y s ILE 26 Ca 0.38 1.60 0.17 0.00 -2.23 0.00 0.00 60.65 60.58 2r8y s ILE 26 Cb 0.20 -4.19 -0.26 0.00 -1.58 0.00 0.00 42.46 36.63 2r8y s ILE 26 CO 0.32 -0.31 0.43 0.54 -1.23 0.00 0.00 174.94 174.69 2r8y n ARG 27 N 6.81 0.66 -3.74 2.79 5.12 0.09 -4.89 116.66 123.50 2r8y n ARG 27 Ca 0.13 -0.14 -0.14 0.00 -1.93 0.00 0.00 57.85 55.78 2r8y n ARG 27 Cb 0.46 -1.40 -0.15 0.00 -1.16 0.00 0.00 32.46 30.21 2r8y n ARG 27 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2r8y s LEU 28 N -4.00 0.68 -0.25 0.55 2.96 -0.93 -1.63 118.68 116.06 2r8y s LEU 28 Ca -0.04 0.27 -0.04 0.00 -0.22 0.00 0.00 54.13 54.10 2r8y s LEU 28 Cb 0.11 0.30 0.01 0.00 0.50 0.00 0.00 46.19 47.11 2r8y s LEU 28 CO 0.72 -0.16 -0.03 -0.22 -1.32 0.00 0.00 176.35 175.35 2r8y s LEU 29 N 1.27 3.20 -0.14 -0.68 2.96 0.11 -1.04 118.68 124.35 2r8y s LEU 29 Ca -0.08 -0.65 -0.05 0.00 -0.22 0.00 0.00 54.13 53.13 2r8y s LEU 29 Cb -0.12 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.80 2r8y s LEU 29 CO -0.06 -0.10 0.03 -0.63 -1.32 0.00 0.00 176.35 174.27 2r8y s ILE 30 N 1.42 4.52 -0.05 6.68 1.01 -0.11 -0.86 121.20 133.80 2r8y s ILE 30 Ca 0.03 -0.15 0.05 0.00 0.00 0.00 0.00 60.65 60.58 2r8y s ILE 30 Cb -0.16 -2.97 -0.00 0.00 0.01 0.00 0.00 42.46 39.34 2r8y s ILE 30 CO -0.03 0.54 -0.19 -0.76 0.00 0.00 0.00 174.94 174.50 2r8y s LEU 31 N -0.23 1.95 0.79 2.97 1.43 -0.13 -1.53 118.68 123.93 2r8y s LEU 31 Ca 0.07 -0.40 -0.11 0.00 -1.03 0.00 0.00 54.13 52.66 2r8y s LEU 31 Cb -0.12 -1.08 0.06 0.00 0.03 0.00 0.00 46.19 45.08 2r8y s LEU 31 CO 0.02 0.17 1.09 -0.62 0.23 0.00 0.00 176.35 177.23 2r8y s ASP 32 N 0.04 4.53 0.00 2.29 3.68 -0.86 -1.73 116.67 124.62 2r8y s ASP 32 Ca -0.05 1.48 0.00 0.00 2.13 0.00 0.00 52.55 56.11 2r8y s ASP 32 Cb -0.13 -2.24 0.00 0.00 -1.45 0.00 0.00 42.92 39.11 2r8y s ASP 32 CO 0.03 -1.97 0.00 0.52 0.13 0.00 0.00 175.17 173.88 2r8y n VAL 33 N -3.45 0.00 -2.19 1.11 0.31 -1.26 -3.72 118.33 109.12 2r8y n VAL 33 Ca 0.07 0.42 -0.43 0.00 -0.01 0.00 0.00 64.34 64.40 2r8y n VAL 33 Cb 0.55 -1.39 -0.02 0.00 -0.91 0.00 0.00 33.84 32.06 2r8y n VAL 33 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 2r8y s ASP 34 N -3.38 6.37 0.00 4.52 1.01 -1.26 -0.35 116.67 123.57 2r8y s ASP 34 Ca 0.00 1.39 0.00 0.00 0.71 0.00 0.00 52.55 54.65 2r8y s ASP 34 Cb 0.00 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.40 2r8y s ASP 34 CO 0.00 -1.30 0.00 0.61 0.21 0.00 0.00 175.17 174.69 2r8y n GLY 35 N 4.74 0.63 1.07 0.21 0.00 -0.90 -4.71 105.19 106.24 2r8y n GLY 35 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2r8y n GLY 35 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2r8y n VAL 36 N -2.00 0.94 0.82 1.61 0.31 -0.38 -4.24 118.33 115.39 2r8y n VAL 36 Ca 0.00 0.31 0.13 0.00 -0.01 0.00 0.00 64.34 64.77 2r8y n VAL 36 Cb 0.00 -1.42 0.50 0.00 -0.91 0.00 0.00 33.84 32.00 2r8y n VAL 36 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2r8y n LEU 37 N -3.28 0.40 -4.31 7.52 4.77 0.52 -1.63 117.00 120.99 2r8y n LEU 37 Ca 0.00 0.50 -0.16 0.00 -0.03 0.00 0.00 56.01 56.32 2r8y n LEU 37 Cb 0.00 -0.40 -0.10 0.00 -2.33 0.00 0.00 43.42 40.59 2r8y n LEU 37 CO 0.00 -0.08 -0.24 -0.94 -1.33 0.00 0.00 177.39 174.81 2r8y s SER 38 N -3.71 1.13 -0.01 -1.43 1.04 -1.05 -4.14 113.70 105.54 2r8y s SER 38 Ca 0.12 -1.43 0.02 0.00 0.48 0.00 0.00 55.95 55.14 2r8y s SER 38 Cb 0.16 0.25 0.07 0.00 0.10 0.00 0.00 66.02 66.60 2r8y s SER 38 CO 0.57 -0.78 0.82 -0.90 0.98 0.00 0.00 173.24 173.93 2r8y n ASP 39 N -0.55 0.93 0.00 7.02 3.85 -1.24 -2.11 116.55 124.45 2r8y n ASP 39 Ca 0.01 -2.05 0.00 0.00 -0.71 0.00 0.00 54.79 52.04 2r8y n ASP 39 Cb 0.66 -0.29 0.00 0.00 -1.35 0.00 0.00 41.12 40.13 2r8y n ASP 39 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2r8y n GLY 40 N 0.32 0.45 3.79 6.12 0.00 -1.26 -4.68 105.19 109.92 2r8y n GLY 40 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 2r8y n GLY 40 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2r8y s LEU 41 N 0.00 4.49 -0.19 0.99 1.43 -1.26 -4.74 118.68 119.40 2r8y s LEU 41 Ca 0.00 1.62 -0.01 0.00 -1.03 0.00 0.00 54.13 54.70 2r8y s LEU 41 Cb 0.00 -3.48 0.01 0.00 0.03 0.00 0.00 46.19 42.74 2r8y s LEU 41 CO 0.00 0.12 -0.13 -0.63 0.23 0.00 0.00 176.35 175.94 2r8y s ILE 42 N -1.32 2.69 -0.20 -0.59 -1.09 -1.26 -4.74 121.20 114.69 2r8y s ILE 42 Ca 0.40 -0.73 -0.15 0.00 -2.23 0.00 0.00 60.65 57.94 2r8y s ILE 42 Cb -0.21 -2.18 -0.04 0.00 -1.58 0.00 0.00 42.46 38.45 2r8y s ILE 42 CO 0.25 0.49 0.37 -0.31 -1.23 0.00 0.00 174.94 174.51 2r8y s TYR 43 N 1.31 3.38 -0.02 3.97 1.51 -0.82 -4.98 117.35 121.71 2r8y s TYR 43 Ca 0.04 0.59 0.04 0.00 -1.01 0.00 0.00 57.07 56.74 2r8y s TYR 43 Cb -0.14 -2.49 -0.01 0.00 -0.11 0.00 0.00 41.96 39.21 2r8y s TYR 43 CO -0.07 0.02 -0.15 -1.64 -1.11 0.00 0.00 175.55 172.60 2r8y s MET 44 N 1.20 1.25 0.35 -0.62 -1.94 -1.26 -1.09 119.30 117.18 2r8y s MET 44 Ca 0.18 -0.52 0.09 0.00 -1.71 0.00 0.00 55.69 53.73 2r8y s MET 44 Cb -0.14 -1.19 -0.06 0.00 2.01 0.00 0.00 34.83 35.45 2r8y s MET 44 CO 0.07 0.30 -0.06 0.20 -0.01 0.00 0.00 175.02 175.52 2r8y s GLY 45 N -0.27 2.18 0.56 -0.03 0.00 -0.30 -4.99 107.32 104.47 2r8y s GLY 45 Ca 0.04 -2.07 0.32 0.00 0.00 0.00 0.00 44.72 43.01 2r8y s GLY 45 CO -0.00 -2.01 2.11 3.43 0.00 0.00 0.00 173.10 176.63 2r8y h ASN 46 N 1.95 0.00 -0.61 1.64 2.35 -2.02 -2.01 115.58 116.89 2r8y h ASN 46 Ca -0.42 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.33 2r8y h ASN 46 Cb 1.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.62 2r8y h ASN 46 CO 0.70 0.07 0.00 0.59 -1.65 0.00 0.00 177.43 177.14 2r8y n ASN 47 N -3.41 5.11 0.00 5.81 5.03 -1.26 -4.92 115.26 121.63 2r8y n ASN 47 Ca -0.01 -2.63 0.00 0.00 0.87 0.00 0.00 54.58 52.80 2r8y n ASN 47 Cb 0.22 -0.62 0.00 0.00 -1.02 0.00 0.00 39.78 38.36 2r8y n ASN 47 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2r8y n GLY 48 N 0.94 0.77 3.66 7.41 0.00 -0.75 -5.04 105.19 112.17 2r8y n GLY 48 Ca 0.26 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.91 2r8y n GLY 48 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2r8y n GLU 49 N -2.30 1.00 -3.82 1.61 4.71 -1.26 -4.78 120.64 115.80 2r8y n GLU 49 Ca 0.00 0.39 -0.13 0.00 -0.01 0.00 0.00 57.16 57.41 2r8y n GLU 49 Cb 0.00 -2.31 -0.15 0.00 -1.01 0.00 0.00 31.44 27.97 2r8y n GLU 49 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 2r8y s GLU 50 N -2.99 0.01 0.16 3.49 2.12 -1.26 -1.15 118.70 119.09 2r8y s GLU 50 Ca 0.78 0.13 0.08 0.00 0.36 0.00 0.00 54.97 56.33 2r8y s GLU 50 Cb -0.40 -0.10 -0.04 0.00 0.26 0.00 0.00 34.13 33.84 2r8y s GLU 50 CO 0.45 -0.08 -0.18 -0.51 -0.54 0.00 0.00 175.26 174.39 2r8y s LEU 51 N 0.53 2.44 0.03 2.70 1.43 -0.25 -5.00 118.68 120.56 2r8y s LEU 51 Ca -0.04 -0.86 0.01 0.00 -1.03 0.00 0.00 54.13 52.21 2r8y s LEU 51 Cb -0.06 -0.82 -0.02 0.00 0.03 0.00 0.00 46.19 45.32 2r8y s LEU 51 CO -0.02 -0.04 -0.05 -0.75 0.23 0.00 0.00 176.35 175.72 2r8y s LYS 52 N -2.80 0.39 -0.20 1.70 2.20 -1.26 -1.93 119.74 117.84 2r8y s LYS 52 Ca 0.16 -0.61 -0.04 0.00 -0.36 0.00 0.00 55.97 55.11 2r8y s LYS 52 Cb -0.06 -0.11 -0.02 0.00 -1.51 0.00 0.00 37.83 36.14 2r8y s LYS 52 CO 0.07 0.01 -0.02 0.00 -0.36 0.00 0.00 175.35 175.04 2r8y s ALA 53 N -1.25 2.93 0.28 3.13 0.00 -1.26 -5.09 121.76 120.50 2r8y s ALA 53 Ca -0.11 -1.03 0.08 0.00 0.00 0.00 0.00 51.96 50.90 2r8y s ALA 53 Cb -0.09 -1.70 -0.04 0.00 0.00 0.00 0.00 23.12 21.30 2r8y s ALA 53 CO -0.00 -0.19 0.11 -0.06 0.00 0.00 0.00 175.76 175.62 2r8y s PHE 54 N 1.07 2.86 -0.18 0.00 0.40 -1.26 -4.36 117.98 116.52 2r8y s PHE 54 Ca 0.02 -0.21 -0.04 0.00 -0.60 0.00 0.00 56.93 56.09 2r8y s PHE 54 Cb -0.15 -1.38 -0.02 0.00 0.51 0.00 0.00 43.02 41.98 2r8y s PHE 54 CO 0.01 0.51 -0.03 1.21 0.70 0.00 0.00 175.22 177.62 2r8y s ASN 55 N -3.79 4.73 0.55 1.36 3.04 -1.26 -5.00 114.94 114.58 2r8y s ASN 55 Ca 0.34 -0.19 0.24 0.00 0.04 0.00 0.00 52.86 53.29 2r8y s ASN 55 Cb -0.06 -1.79 1.54 0.00 -1.54 0.00 0.00 41.25 39.40 2r8y s ASN 55 CO 0.23 0.11 2.17 -0.37 -3.04 0.00 0.00 177.10 176.20 2r8y h VAL 56 N 5.30 0.71 -0.13 -5.21 -1.51 -1.92 -1.74 116.25 111.75 2r8y h VAL 56 Ca -0.34 -0.17 -0.09 0.00 -1.23 0.00 0.00 66.70 64.87 2r8y h VAL 56 Cb 1.18 1.10 -0.01 0.00 -2.13 0.00 0.00 31.29 31.43 2r8y h VAL 56 CO 0.61 0.04 -0.33 0.03 -1.23 0.00 0.00 177.57 176.70 2r8y h ARG 57 N 0.00 0.26 -0.20 5.19 2.47 -1.94 -0.95 114.38 119.21 2r8y h ARG 57 Ca -0.00 -0.10 -0.18 0.00 -1.26 0.00 0.00 59.98 58.43 2r8y h ARG 57 Cb 0.10 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.40 2r8y h ARG 57 CO 0.01 0.57 -0.61 -0.44 0.56 0.00 0.00 179.97 180.05 2r8y h ASP 58 N 0.23 0.77 -0.52 7.04 3.32 -1.69 -2.94 116.42 122.63 2r8y h ASP 58 Ca 0.03 -0.44 0.06 0.00 0.02 0.00 0.00 57.03 56.70 2r8y h ASP 58 Cb 0.70 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.97 2r8y h ASP 58 CO 0.05 1.20 0.22 1.23 -1.72 0.00 0.00 179.24 180.22 2r8y h GLY 59 N 0.89 0.71 0.74 2.75 0.00 -0.99 -0.31 103.07 106.88 2r8y h GLY 59 Ca -0.01 -0.14 0.04 0.00 0.00 0.00 0.00 47.33 47.23 2r8y h GLY 59 CO 0.12 0.05 0.25 -1.82 0.00 0.00 0.00 176.54 175.15 2r8y h TYR 60 N 0.43 0.46 -0.32 5.60 5.03 -1.01 -1.02 116.97 126.14 2r8y h TYR 60 Ca 0.24 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.57 2r8y h TYR 60 Cb 0.21 -0.14 -0.02 0.00 1.55 0.00 0.00 36.73 38.34 2r8y h TYR 60 CO -0.13 0.23 0.20 0.78 -1.32 0.00 0.00 178.16 177.91 2r8y h GLY 61 N 0.49 0.46 1.01 1.82 0.00 -1.22 -0.43 103.07 105.20 2r8y h GLY 61 Ca 0.22 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 2r8y h GLY 61 CO -0.15 0.18 0.35 -2.22 0.00 0.00 0.00 176.54 174.71 2r8y h ILE 62 N 0.41 1.22 -0.85 2.60 2.04 -0.86 0.44 117.51 122.52 2r8y h ILE 62 Ca 0.12 -0.61 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 2r8y h ILE 62 Cb 0.00 0.35 -0.04 0.00 -0.74 0.00 0.00 36.82 36.39 2r8y h ILE 62 CO -0.02 0.26 0.44 0.03 0.00 0.00 0.00 178.15 178.85 2r8y h ARG 63 N 0.96 1.19 0.05 2.37 2.47 -0.92 -0.07 114.38 120.44 2r8y h ARG 63 Ca 0.24 -0.15 -0.00 0.00 -1.26 0.00 0.00 59.98 58.80 2r8y h ARG 63 Cb 0.09 -0.23 0.00 0.00 -1.65 0.00 0.00 29.97 28.18 2r8y h ARG 63 CO -0.03 0.89 -0.03 0.00 0.56 0.00 0.00 179.97 181.37 2r8y h ALA 65 N 0.82 0.01 0.00 0.00 0.00 -0.63 -1.22 119.26 118.23 2r8y h ALA 65 Ca -0.01 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2r8y h ALA 65 Cb 0.11 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2r8y h ALA 65 CO 0.01 -0.56 0.00 -0.07 0.00 0.00 0.00 179.25 178.63 2r8y h LEU 66 N -0.13 0.00 -2.30 0.00 3.38 -0.94 -1.14 115.31 114.18 2r8y h LEU 66 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2r8y h LEU 66 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2r8y h LEU 66 CO -0.27 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.61 2r8y n THR 67 N -2.74 0.57 -2.03 0.22 -2.24 -0.78 -4.35 114.28 102.94 2r8y n THR 67 Ca 0.01 -0.79 0.03 0.00 -2.27 0.00 0.00 64.05 61.03 2r8y n THR 67 Cb 0.25 0.85 0.12 0.00 -2.10 0.00 0.00 70.33 69.45 2r8y n THR 67 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2r8y n SER 68 N 0.84 1.64 -2.60 3.42 7.64 -0.50 -4.96 113.62 119.10 2r8y n SER 68 Ca 0.12 -3.08 -0.16 0.00 1.01 0.00 0.00 58.87 56.77 2r8y n SER 68 Cb 0.43 -0.43 0.05 0.00 -1.01 0.00 0.00 64.21 63.26 2r8y n SER 68 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2r8y n ASP 69 N -0.45 -4.67 -3.96 6.43 4.64 -1.08 -4.96 116.55 112.51 2r8y n ASP 69 Ca 0.15 -0.37 -0.29 0.00 -1.38 0.00 0.00 54.79 52.90 2r8y n ASP 69 Cb 0.89 -3.58 -0.17 0.00 -1.04 0.00 0.00 41.12 37.22 2r8y n ASP 69 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 2r8y s ILE 70 N -3.22 1.33 0.52 5.18 1.01 -0.50 -4.89 121.20 120.63 2r8y s ILE 70 Ca 0.36 -0.59 -0.19 0.00 0.00 0.00 0.00 60.65 60.23 2r8y s ILE 70 Cb -0.16 -1.35 -0.07 0.00 0.01 0.00 0.00 42.46 40.90 2r8y s ILE 70 CO 0.49 0.32 1.04 -1.61 0.00 0.00 0.00 174.94 175.19 2r8y s GLU 71 N 1.57 3.64 -0.06 2.79 0.41 -0.65 -3.58 118.70 122.82 2r8y s GLU 71 Ca 0.03 1.29 0.02 0.00 -0.41 0.00 0.00 54.97 55.90 2r8y s GLU 71 Cb -0.14 -2.07 0.02 0.00 -1.78 0.00 0.00 34.13 30.16 2r8y s GLU 71 CO -0.09 -0.56 -0.09 0.08 -0.49 0.00 0.00 175.26 174.11 2r8y s VAL 72 N -2.17 0.94 0.17 2.63 1.01 -1.26 0.03 120.40 121.75 2r8y s VAL 72 Ca 0.66 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 62.32 2r8y s VAL 72 Cb -0.16 -0.89 -0.05 0.00 0.00 0.00 0.00 36.38 35.28 2r8y s VAL 72 CO 0.26 0.32 -0.03 0.00 0.00 0.00 0.00 175.10 175.64 2r8y s ALA 73 N 0.85 1.40 -0.04 5.51 0.00 -0.04 -4.35 121.76 125.09 2r8y s ALA 73 Ca -0.12 -1.56 0.03 0.00 0.00 0.00 0.00 51.96 50.31 2r8y s ALA 73 Cb -0.15 0.36 0.00 0.00 0.00 0.00 0.00 23.12 23.33 2r8y s ALA 73 CO 0.01 -0.24 -0.14 0.42 0.00 0.00 0.00 175.76 175.82 2r8y s ILE 74 N -3.53 1.19 -0.15 0.00 1.01 -0.44 -0.95 121.20 118.34 2r8y s ILE 74 Ca 0.21 -0.57 -0.00 0.00 0.00 0.00 0.00 60.65 60.29 2r8y s ILE 74 Cb 0.05 -1.05 0.04 0.00 0.01 0.00 0.00 42.46 41.51 2r8y s ILE 74 CO 0.03 0.36 -0.06 -0.63 0.00 0.00 0.00 174.94 174.63 2r8y s ILE 75 N 0.22 1.08 0.01 2.92 1.01 -0.71 -0.59 121.20 125.14 2r8y s ILE 75 Ca -0.06 -0.50 0.02 0.00 0.00 0.00 0.00 60.65 60.11 2r8y s ILE 75 Cb -0.12 -1.20 -0.01 0.00 0.01 0.00 0.00 42.46 41.15 2r8y s ILE 75 CO 0.02 0.22 -0.08 0.28 0.00 0.00 0.00 174.94 175.38 2r8y s THR 76 N 1.66 0.61 0.23 2.92 -1.32 -0.25 -4.27 115.64 115.22 2r8y s THR 76 Ca 0.02 -0.56 0.04 0.00 -1.21 0.00 0.00 61.69 59.99 2r8y s THR 76 Cb -0.14 -0.56 -0.05 0.00 -1.51 0.00 0.00 72.50 70.24 2r8y s THR 76 CO -0.08 0.01 1.54 1.23 -2.21 0.00 0.00 174.62 175.11 2r8y h GLY 77 N 5.51 0.26 -0.81 6.08 0.00 -1.85 -2.05 103.07 110.21 2r8y h GLY 77 Ca -0.32 -0.34 -0.47 0.00 0.00 0.00 0.00 47.33 46.21 2r8y h GLY 77 CO 0.47 0.30 0.36 0.50 0.00 0.00 0.00 176.54 178.17 2r8y s ARG 78 N -3.70 2.15 -0.04 4.80 0.52 -1.26 -3.50 118.95 117.92 2r8y s ARG 78 Ca -0.04 0.06 -0.02 0.00 -0.52 0.00 0.00 55.73 55.22 2r8y s ARG 78 Cb 0.12 -2.02 0.03 0.00 0.52 0.00 0.00 34.95 33.60 2r8y s ARG 78 CO 0.80 -1.42 0.08 0.21 0.02 0.00 0.00 175.30 174.99 2r8y s LYS 79 N -5.46 -0.02 -0.15 3.54 2.20 -1.26 -0.88 119.74 117.71 2r8y s LYS 79 Ca 0.61 0.34 -0.16 0.00 -0.36 0.00 0.00 55.97 56.40 2r8y s LYS 79 Cb -0.11 -0.32 0.04 0.00 -1.51 0.00 0.00 37.83 35.93 2r8y s LYS 79 CO 0.48 -0.24 0.44 0.00 -0.36 0.00 0.00 175.35 175.67 2r8y s ALA 80 N 1.64 -1.09 0.50 3.13 0.00 -1.26 -4.99 121.76 119.69 2r8y s ALA 80 Ca -0.03 1.16 0.14 0.00 0.00 0.00 0.00 51.96 53.24 2r8y s ALA 80 Cb -0.12 -0.62 1.19 0.00 0.00 0.00 0.00 23.12 23.56 2r8y s ALA 80 CO -0.04 -0.22 2.13 -0.22 0.00 0.00 0.00 175.76 177.41 2r8y h LYS 81 N 5.21 0.11 -0.45 0.00 1.63 -2.01 -2.45 116.57 118.61 2r8y h LYS 81 Ca -0.27 -0.01 0.05 0.00 -0.85 0.00 0.00 60.65 59.57 2r8y h LYS 81 Cb 1.18 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.76 2r8y h LYS 81 CO 0.25 0.08 0.30 1.37 -3.45 0.00 0.00 179.45 178.00 2r8y h LEU 82 N 0.12 0.35 -0.27 5.20 8.10 -1.96 -1.47 115.31 125.37 2r8y h LEU 82 Ca 0.04 -0.00 -0.14 0.00 0.11 0.00 0.00 57.88 57.88 2r8y h LEU 82 Cb 0.01 -0.08 -0.00 0.00 -0.44 0.00 0.00 40.66 40.15 2r8y h LEU 82 CO -0.01 0.23 -0.39 0.58 -4.11 0.00 0.00 178.44 174.75 2r8y h VAL 83 N 0.40 1.30 -0.56 0.15 2.07 -1.86 -0.49 116.25 117.25 2r8y h VAL 83 Ca 0.20 -1.58 0.07 0.00 0.82 0.00 0.00 66.70 66.21 2r8y h VAL 83 Cb 0.27 1.65 -0.06 0.00 -1.52 0.00 0.00 31.29 31.63 2r8y h VAL 83 CO -0.05 0.51 0.23 -0.33 0.02 0.00 0.00 177.57 177.95 2r8y h GLU 84 N 0.49 0.43 -0.52 1.57 5.08 -1.36 -0.54 114.58 119.72 2r8y h GLU 84 Ca 0.03 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2r8y h GLU 84 Cb 0.98 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.11 2r8y h GLU 84 CO 0.09 0.28 0.34 -0.44 -1.00 0.00 0.00 179.01 178.28 2r8y h ASP 85 N 0.44 0.59 -0.38 1.42 3.32 -1.10 -0.89 116.42 119.82 2r8y h ASP 85 Ca 0.27 -0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.32 2r8y h ASP 85 Cb 0.27 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 2r8y h ASP 85 CO -0.24 0.43 0.21 -0.09 -1.72 0.00 0.00 179.24 177.82 2r8y h ARG 86 N 0.70 0.41 -0.99 3.56 9.65 -0.61 -1.38 114.38 125.72 2r8y h ARG 86 Ca 0.19 -0.02 0.06 0.00 -1.10 0.00 0.00 59.98 59.11 2r8y h ARG 86 Cb -0.07 -0.09 -0.06 0.00 -1.39 0.00 0.00 29.97 28.35 2r8y h ARG 86 CO -0.05 0.27 0.64 0.00 2.80 0.00 0.00 179.97 183.63 2r8y h ALA 88 N 1.44 0.95 -0.75 0.00 0.00 -0.74 0.15 119.26 120.30 2r8y h ALA 88 Ca 0.42 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.22 2r8y h ALA 88 Cb 0.12 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.56 2r8y h ALA 88 CO -0.16 0.54 0.43 1.15 0.00 0.00 0.00 179.25 181.22 2r8y h THR 89 N 1.04 0.98 -0.00 0.00 2.02 -0.65 -3.01 112.91 113.28 2r8y h THR 89 Ca 0.25 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 67.16 2r8y h THR 89 Cb 0.17 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.70 2r8y h THR 89 CO -0.03 0.14 -0.53 0.18 0.37 0.00 0.00 175.52 175.66 2r8y n LEU 90 N -4.73 1.01 -0.67 2.58 4.77 -0.90 -4.96 117.00 114.09 2r8y n LEU 90 Ca 0.10 -0.31 -0.06 0.00 -0.03 0.00 0.00 56.01 55.72 2r8y n LEU 90 Cb 0.19 -0.12 -0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2r8y n LEU 90 CO 0.29 0.21 -0.07 0.61 -1.33 0.00 0.00 177.39 177.11 2r8y n GLY 91 N 1.44 0.15 3.66 -0.72 0.00 0.27 -4.76 105.19 105.24 2r8y n GLY 91 Ca 0.08 -0.64 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 2r8y n GLY 91 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2r8y s ILE 92 N -2.31 4.91 -1.70 -0.61 1.01 0.14 -4.94 121.20 117.69 2r8y s ILE 92 Ca 0.01 1.51 0.14 0.00 0.00 0.00 0.00 60.65 62.31 2r8y s ILE 92 Cb -0.00 -4.08 0.09 0.00 0.01 0.00 0.00 42.46 38.47 2r8y s ILE 92 CO 0.01 0.03 0.92 0.35 0.00 0.00 0.00 174.94 176.24 2r8y n THR 93 N 4.84 0.00 -4.05 2.92 -2.24 -1.26 -4.51 114.28 109.98 2r8y n THR 93 Ca 0.03 -0.47 -0.32 0.00 -2.27 0.00 0.00 64.05 61.03 2r8y n THR 93 Cb 0.49 1.27 -0.15 0.00 -2.10 0.00 0.00 70.33 69.84 2r8y n THR 93 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2r8y s HIS 94 N -1.32 3.24 -0.06 4.78 3.76 -1.26 -5.08 115.29 119.35 2r8y s HIS 94 Ca 0.16 -2.37 -0.01 0.00 -0.15 0.00 0.00 55.06 52.69 2r8y s HIS 94 Cb 0.12 -2.04 0.03 0.00 1.11 0.00 0.00 32.58 31.79 2r8y s HIS 94 CO 0.22 -0.88 -0.01 -1.17 -0.85 0.00 0.00 174.74 172.05 2r8y s LEU 95 N 1.10 0.79 -0.24 0.89 2.96 -1.26 -1.33 118.68 121.60 2r8y s LEU 95 Ca -0.05 -0.09 0.01 0.00 -0.22 0.00 0.00 54.13 53.77 2r8y s LEU 95 Cb -0.20 -0.42 0.04 0.00 0.50 0.00 0.00 46.19 46.11 2r8y s LEU 95 CO -0.06 -0.16 -0.11 -0.31 -1.32 0.00 0.00 176.35 174.39 2r8y s TYR 96 N 1.67 3.07 0.31 5.38 1.51 0.24 -4.98 117.35 124.55 2r8y s TYR 96 Ca 0.00 -1.87 0.09 0.00 -1.01 0.00 0.00 57.07 54.28 2r8y s TYR 96 Cb -0.13 -1.98 -0.04 0.00 -0.11 0.00 0.00 41.96 39.70 2r8y s TYR 96 CO -0.04 -0.81 0.07 -0.65 -1.11 0.00 0.00 175.55 173.01 2r8y s GLN 97 N 1.23 2.31 -0.52 -0.62 -0.21 -1.26 -1.09 119.66 119.50 2r8y s GLN 97 Ca -0.02 -1.53 0.00 0.00 0.02 0.00 0.00 55.36 53.83 2r8y s GLN 97 Cb -0.17 -2.14 0.00 0.00 1.00 0.00 0.00 33.01 31.70 2r8y s GLN 97 CO -0.07 0.21 0.00 0.41 -2.12 0.00 0.00 175.29 173.72 2r8y n GLY 98 N -1.03 0.74 3.15 3.09 0.00 -0.06 -4.93 105.19 106.15 2r8y n GLY 98 Ca -0.05 -0.46 -0.36 0.00 0.00 0.00 0.00 46.02 45.16 2r8y n GLY 98 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2r8y s GLN 99 N -1.96 2.22 0.04 1.61 2.00 -0.83 -4.91 119.66 117.83 2r8y s GLN 99 Ca 0.00 -1.52 0.22 0.00 -2.00 0.00 0.00 55.36 52.06 2r8y s GLN 99 Cb 0.00 -3.38 -0.12 0.00 0.80 0.00 0.00 33.01 30.30 2r8y s GLN 99 CO 0.00 -0.83 0.83 0.43 -0.50 0.00 0.00 175.29 175.22 2r8y n SER 100 N 4.61 0.49 -4.41 6.67 7.64 -1.26 -3.26 113.62 124.11 2r8y n SER 100 Ca -0.08 -0.15 -0.45 0.00 1.01 0.00 0.00 58.87 59.21 2r8y n SER 100 Cb 0.43 1.17 -0.01 0.00 -1.01 0.00 0.00 64.21 64.79 2r8y n SER 100 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2r8y s ASN 101 N -4.24 7.06 0.52 6.43 3.84 -1.26 -4.89 114.94 122.40 2r8y s ASN 101 Ca -0.00 -3.03 0.30 0.00 0.21 0.00 0.00 52.86 50.33 2r8y s ASN 101 Cb 0.14 -2.32 1.35 0.00 -0.55 0.00 0.00 41.25 39.87 2r8y s ASN 101 CO 0.84 -0.62 2.00 0.11 -2.79 0.00 0.00 177.10 176.64 2r8y h LYS 102 N 7.29 0.00 -0.07 0.43 1.57 -1.86 -2.50 116.57 121.43 2r8y h LYS 102 Ca 0.23 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.02 2r8y h LYS 102 Cb 0.91 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.22 2r8y h LYS 102 CO 1.09 0.11 0.05 -0.07 -0.57 0.00 0.00 179.45 180.06 2r8y h LEU 103 N 0.00 0.03 0.58 2.94 3.38 -1.94 0.11 115.31 120.40 2r8y h LEU 103 Ca -0.00 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2r8y h LEU 103 Cb 0.49 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.24 2r8y h LEU 103 CO 0.01 0.02 -0.28 0.40 0.09 0.00 0.00 178.44 178.68 2r8y h ILE 104 N 0.03 0.42 -0.76 1.22 2.04 -1.88 -0.96 117.51 117.62 2r8y h ILE 104 Ca 0.03 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 2r8y h ILE 104 Cb 0.09 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 36.59 2r8y h ILE 104 CO -0.00 0.01 0.47 0.00 0.00 0.00 0.00 178.15 178.63 2r8y h ALA 105 N -0.43 0.97 -0.04 1.87 0.00 -1.62 -2.28 119.26 117.73 2r8y h ALA 105 Ca -0.08 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.79 2r8y h ALA 105 Cb 0.62 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 2r8y h ALA 105 CO 0.13 0.43 -0.28 0.35 0.00 0.00 0.00 179.25 179.87 2r8y h PHE 106 N 1.04 -0.77 -0.58 0.00 -0.00 -0.92 0.07 116.94 115.78 2r8y h PHE 106 Ca 0.27 0.03 0.05 0.00 -0.00 0.00 0.00 57.97 58.32 2r8y h PHE 106 Cb -0.05 0.34 -0.05 0.00 -0.00 0.00 0.00 35.95 36.19 2r8y h PHE 106 CO -0.01 -0.37 0.30 0.77 -0.00 0.00 0.00 178.31 179.00 2r8y h SER 107 N -0.41 0.44 -0.20 0.41 0.02 -0.96 -1.58 113.55 111.27 2r8y h SER 107 Ca 0.07 0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.06 2r8y h SER 107 Cb 0.51 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 2r8y h SER 107 CO -0.27 0.29 0.11 -0.78 -1.14 0.00 0.00 176.83 175.04 2r8y h ASP 108 N 0.58 0.17 -0.34 3.07 3.58 -1.10 -2.18 116.42 120.20 2r8y h ASP 108 Ca 0.26 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.69 2r8y h ASP 108 Cb 0.16 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 2r8y h ASP 108 CO -0.17 0.13 0.13 0.25 -2.88 0.00 0.00 179.24 176.69 2r8y h LEU 109 N 0.22 0.47 -0.59 2.28 6.46 -0.65 -2.03 115.31 121.47 2r8y h LEU 109 Ca 0.08 -0.17 -0.15 0.00 -0.12 0.00 0.00 57.88 57.52 2r8y h LEU 109 Cb 0.01 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 39.81 2r8y h LEU 109 CO -0.05 0.51 -0.53 -0.07 -0.62 0.00 0.00 178.44 177.69 2r8y h LEU 110 N 0.39 0.52 0.00 2.25 3.38 -1.25 -1.74 115.31 118.87 2r8y h LEU 110 Ca 0.11 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 2r8y h LEU 110 Cb 0.19 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2r8y h LEU 110 CO -0.01 0.95 -0.00 -0.33 0.09 0.00 0.00 178.44 179.15 2r8y h GLU 111 N 0.37 -0.00 -0.77 1.13 4.39 -1.30 0.16 114.58 118.56 2r8y h GLU 111 Ca 0.01 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.68 2r8y h GLU 111 Cb 1.05 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.66 2r8y h GLU 111 CO 0.10 0.06 0.36 0.87 -1.16 0.00 0.00 179.01 179.23 2r8y h LYS 112 N -0.06 1.11 -0.00 2.33 1.57 -1.21 -2.99 116.57 117.31 2r8y h LYS 112 Ca -0.00 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 2r8y h LYS 112 Cb 0.06 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.17 2r8y h LYS 112 CO 0.00 0.86 -0.45 1.28 -0.57 0.00 0.00 179.45 180.57 2r8y n LEU 113 N -4.31 0.94 -3.84 2.94 4.77 -0.67 -4.97 117.00 111.86 2r8y n LEU 113 Ca 0.07 -0.25 -0.23 0.00 -0.03 0.00 0.00 56.01 55.57 2r8y n LEU 113 Cb 0.14 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2r8y n LEU 113 CO 0.39 0.19 -0.16 0.00 -1.33 0.00 0.00 177.39 176.49 2r8y n ALA 114 N -0.98 -2.02 -2.86 -1.18 0.00 0.01 -5.00 120.51 108.48 2r8y n ALA 114 Ca 0.09 -0.23 -0.33 0.00 0.00 0.00 0.00 53.44 52.97 2r8y n ALA 114 Cb 0.35 -1.67 -0.14 0.00 0.00 0.00 0.00 19.45 17.99 2r8y n ALA 114 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2r8y s ILE 115 N -3.83 3.07 0.31 0.00 2.07 -1.00 -5.06 121.20 116.75 2r8y s ILE 115 Ca 0.00 -0.68 -0.28 0.00 -1.41 0.00 0.00 60.65 58.28 2r8y s ILE 115 Cb -0.00 -2.26 -0.09 0.00 0.13 0.00 0.00 42.46 40.24 2r8y s ILE 115 CO 0.85 0.55 1.05 0.00 -1.91 0.00 0.00 174.94 175.48 2r8y s ALA 116 N -0.04 3.30 0.45 1.50 0.00 -1.26 -4.81 121.76 120.90 2r8y s ALA 116 Ca -0.03 0.77 0.20 0.00 0.00 0.00 0.00 51.96 52.90 2r8y s ALA 116 Cb -0.14 -3.28 1.17 0.00 0.00 0.00 0.00 23.12 20.87 2r8y s ALA 116 CO 0.04 -0.08 1.91 -1.35 0.00 0.00 0.00 175.76 176.27 2r8y h PRO 117 N 3.48 0.29 0.00 0.00 0.11 -1.96 0.09 132.00 134.00 2r8y h PRO 117 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2r8y h PRO 117 Cb 1.21 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2r8y h PRO 117 CO 0.66 0.19 0.00 1.05 -0.21 0.00 0.00 178.00 179.69 2r8y h GLU 118 N 0.30 0.00 -0.63 1.05 9.09 -1.89 -0.90 114.58 121.59 2r8y h GLU 118 Ca 0.39 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.79 2r8y h GLU 118 Cb 1.07 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.17 2r8y h GLU 118 CO -0.10 0.00 0.02 0.09 0.05 0.00 0.00 179.01 179.06 2r8y n ASN 119 N -2.72 5.28 -4.33 3.06 3.02 0.02 -3.89 115.26 115.71 2r8y n ASN 119 Ca -0.01 -2.87 -0.31 0.00 -0.03 0.00 0.00 54.58 51.36 2r8y n ASN 119 Cb 0.16 -0.68 -0.16 0.00 -0.61 0.00 0.00 39.78 38.50 2r8y n ASN 119 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2r8y s VAL 120 N -2.62 2.17 0.13 2.41 1.01 -0.61 -0.73 120.40 122.16 2r8y s VAL 120 Ca 0.50 -1.06 0.07 0.00 0.00 0.00 0.00 61.98 61.48 2r8y s VAL 120 Cb 0.38 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 2r8y s VAL 120 CO 0.14 0.58 -0.04 0.00 0.00 0.00 0.00 175.10 175.78 2r8y s ALA 121 N -0.58 3.12 -0.03 5.51 0.00 -0.21 -1.62 121.76 127.95 2r8y s ALA 121 Ca 0.09 -1.27 -0.00 0.00 0.00 0.00 0.00 51.96 50.78 2r8y s ALA 121 Cb -0.10 -0.99 0.03 0.00 0.00 0.00 0.00 23.12 22.06 2r8y s ALA 121 CO -0.00 0.59 0.02 -0.47 0.00 0.00 0.00 175.76 175.90 2r8y s TYR 122 N -1.44 0.12 -0.28 0.00 5.04 -0.53 -0.94 117.35 119.32 2r8y s TYR 122 Ca 0.25 0.10 -0.06 0.00 -2.44 0.00 0.00 57.07 54.92 2r8y s TYR 122 Cb -0.10 -0.32 0.01 0.00 0.35 0.00 0.00 41.96 41.90 2r8y s TYR 122 CO 0.16 -0.11 0.05 0.08 -1.34 0.00 0.00 175.55 174.39 2r8y s VAL 123 N 1.16 3.73 0.43 3.14 1.01 -0.58 -0.23 120.40 129.05 2r8y s VAL 123 Ca -0.08 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.20 2r8y s VAL 123 Cb -0.13 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 2r8y s VAL 123 CO -0.03 0.12 0.05 -0.83 0.00 0.00 0.00 175.10 174.42 2r8y s GLY 124 N 1.47 2.63 0.00 4.51 0.00 -0.19 -2.02 107.32 113.72 2r8y s GLY 124 Ca 0.02 -1.31 0.00 0.00 0.00 0.00 0.00 44.72 43.43 2r8y s GLY 124 CO 0.01 -2.00 0.00 2.09 0.00 0.00 0.00 173.10 173.19 2r8y n ASP 125 N -1.11 0.00 -4.09 1.64 3.85 -1.26 -2.17 116.55 113.41 2r8y n ASP 125 Ca -0.10 -0.34 -0.14 0.00 -0.71 0.00 0.00 54.79 53.50 2r8y n ASP 125 Cb 0.66 0.00 -0.10 0.00 -1.35 0.00 0.00 41.12 40.34 2r8y n ASP 125 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 2r8y s ASP 126 N 0.00 0.65 0.46 -1.12 -1.08 -1.26 -0.42 116.67 113.89 2r8y s ASP 126 Ca 0.00 -1.45 0.11 0.00 -0.52 0.00 0.00 52.55 50.69 2r8y s ASP 126 Cb 0.00 0.37 1.04 0.00 -1.46 0.00 0.00 42.92 42.87 2r8y s ASP 126 CO 0.00 -0.86 2.09 -0.07 0.52 0.00 0.00 175.17 176.86 2r8y h LEU 127 N 2.48 0.27 -2.36 -1.34 3.38 -1.97 -0.77 115.31 115.00 2r8y h LEU 127 Ca -0.35 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.65 2r8y h LEU 127 Cb 1.25 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 2r8y h LEU 127 CO 0.52 0.19 0.15 -0.29 0.09 0.00 0.00 178.44 179.10 2r8y h ILE 128 N 0.32 0.38 0.00 1.22 6.09 -1.97 -1.30 117.51 122.25 2r8y h ILE 128 Ca 0.10 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 63.58 2r8y h ILE 128 Cb 0.00 0.88 -0.00 0.00 0.47 0.00 0.00 36.82 38.17 2r8y h ILE 128 CO -0.02 0.00 -0.12 0.44 -3.07 0.00 0.00 178.15 175.38 2r8y h ASP 129 N 0.00 0.00 -0.55 2.19 3.32 -1.52 -3.39 116.42 116.47 2r8y h ASP 129 Ca 0.05 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 2r8y h ASP 129 Cb 0.35 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 2r8y h ASP 129 CO -0.00 0.05 0.22 -0.25 -1.72 0.00 0.00 179.24 177.53 2r8y h TRP 130 N 0.00 0.84 -0.95 4.55 2.91 -1.32 -2.14 115.95 119.84 2r8y h TRP 130 Ca -0.00 -0.06 0.19 0.00 1.13 0.00 0.00 58.89 60.14 2r8y h TRP 130 Cb 1.04 -0.25 -0.11 0.00 -0.51 0.00 0.00 29.16 29.33 2r8y h TRP 130 CO 0.00 0.69 0.54 -1.35 -1.03 0.00 0.00 178.44 177.28 2r8y h PRO 131 N 0.75 0.64 -0.05 2.65 0.11 -1.76 0.14 132.00 134.48 2r8y h PRO 131 Ca 0.18 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.19 2r8y h PRO 131 Cb 0.20 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.17 2r8y h PRO 131 CO -0.01 0.42 -0.20 0.28 -0.21 0.00 0.00 178.00 178.28 2r8y h VAL 132 N 0.66 1.45 -0.88 3.15 2.07 -1.82 -3.28 116.25 117.61 2r8y h VAL 132 Ca 0.55 -1.62 0.14 0.00 0.82 0.00 0.00 66.70 66.59 2r8y h VAL 132 Cb 0.89 2.36 -0.07 0.00 -1.52 0.00 0.00 31.29 32.95 2r8y h VAL 132 CO -0.41 0.45 0.57 0.24 0.02 0.00 0.00 177.57 178.44 2r8y h MET 133 N -0.30 0.65 -0.75 1.57 2.86 -0.66 -0.42 114.93 117.88 2r8y h MET 133 Ca -0.01 -0.04 0.11 0.00 -2.06 0.00 0.00 59.70 57.71 2r8y h MET 133 Cb 0.84 -0.15 -0.05 0.00 0.06 0.00 0.00 31.60 32.30 2r8y h MET 133 CO 0.04 0.43 0.49 1.49 1.06 0.00 0.00 176.91 180.42 2r8y h GLU 134 N 0.67 0.55 0.00 1.72 4.81 -0.80 -3.07 114.58 118.46 2r8y h GLU 134 Ca 0.44 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.59 2r8y h GLU 134 Cb 0.72 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 2r8y h GLU 134 CO -0.20 0.37 -0.78 0.87 -0.73 0.00 0.00 179.01 178.54 2r8y h LYS 135 N 0.57 0.00 -6.98 1.92 1.57 -1.18 -3.48 116.57 108.99 2r8y h LYS 135 Ca 0.35 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.66 2r8y h LYS 135 Cb 0.60 0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.95 2r8y h LYS 135 CO -0.13 0.13 0.11 0.14 -0.57 0.00 0.00 179.45 179.13 2r8y s VAL 136 N -3.18 4.18 0.18 0.50 -7.23 -1.16 -4.55 120.40 109.13 2r8y s VAL 136 Ca 0.01 -0.01 -0.10 0.00 -1.81 0.00 0.00 61.98 60.08 2r8y s VAL 136 Cb 0.08 -3.61 0.08 0.00 0.56 0.00 0.00 36.38 33.48 2r8y s VAL 136 CO 0.76 -0.59 1.66 1.23 -0.31 0.00 0.00 175.10 177.86 2r8y h GLY 137 N 0.07 1.14 -7.23 2.32 0.00 -0.22 -3.41 103.07 95.74 2r8y h GLY 137 Ca -0.46 -0.79 -0.56 0.00 0.00 0.00 0.00 47.33 45.51 2r8y h GLY 137 CO 0.60 0.73 -0.76 -2.27 0.00 0.00 0.00 176.54 174.84 2r8y s LEU 138 N -9.43 1.92 -0.01 3.11 2.96 -0.92 -4.89 118.68 111.41 2r8y s LEU 138 Ca -0.12 -1.33 -0.17 0.00 -0.22 0.00 0.00 54.13 52.28 2r8y s LEU 138 Cb 0.14 -0.81 -0.06 0.00 0.50 0.00 0.00 46.19 45.97 2r8y s LEU 138 CO 0.85 -0.36 0.49 -0.94 -1.32 0.00 0.00 176.35 175.06 2r8y s SER 139 N 1.68 6.86 -0.06 3.68 1.04 -1.26 -1.46 113.70 124.18 2r8y s SER 139 Ca 0.05 1.02 0.03 0.00 0.48 0.00 0.00 55.95 57.52 2r8y s SER 139 Cb -0.17 -2.30 0.01 0.00 0.10 0.00 0.00 66.02 63.66 2r8y s SER 139 CO -0.18 0.21 -0.13 -0.69 0.98 0.00 0.00 173.24 173.43 2r8y s VAL 140 N -0.55 1.15 -0.11 5.02 1.01 0.67 -1.59 120.40 126.00 2r8y s VAL 140 Ca 0.26 -0.50 -0.03 0.00 0.00 0.00 0.00 61.98 61.71 2r8y s VAL 140 Cb -0.17 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 35.13 2r8y s VAL 140 CO 0.14 0.36 -0.00 0.00 0.00 0.00 0.00 175.10 175.60 2r8y s ALA 141 N 0.56 3.24 0.73 5.51 0.00 -0.62 -1.02 121.76 130.16 2r8y s ALA 141 Ca -0.13 -0.80 -0.13 0.00 0.00 0.00 0.00 51.96 50.90 2r8y s ALA 141 Cb -0.15 -1.54 0.04 0.00 0.00 0.00 0.00 23.12 21.47 2r8y s ALA 141 CO 0.03 0.47 1.12 0.14 0.00 0.00 0.00 175.76 177.53 2r8y s VAL 142 N -0.49 2.98 0.29 0.00 -7.23 -0.92 -1.24 120.40 113.80 2r8y s VAL 142 Ca 0.09 0.41 0.04 0.00 -1.81 0.00 0.00 61.98 60.70 2r8y s VAL 142 Cb -0.12 -2.87 0.31 0.00 0.56 0.00 0.00 36.38 34.25 2r8y s VAL 142 CO 0.02 -0.33 1.66 0.00 -0.31 0.00 0.00 175.10 176.14 2r8y h ALA 143 N -0.56 1.40 -0.65 1.32 0.00 -1.51 -1.57 119.26 117.69 2r8y h ALA 143 Ca -0.46 0.20 -0.34 0.00 0.00 0.00 0.00 54.91 54.31 2r8y h ALA 143 Cb 1.25 0.25 -0.20 0.00 0.00 0.00 0.00 17.79 19.09 2r8y h ALA 143 CO 0.51 -0.44 0.25 -0.40 0.00 0.00 0.00 179.25 179.17 2r8y n ASP 144 N -5.15 3.11 -4.61 0.00 5.75 -1.26 -4.99 116.55 109.39 2r8y n ASP 144 Ca 0.23 -3.72 -0.30 0.00 -0.01 0.00 0.00 54.79 50.99 2r8y n ASP 144 Cb 0.71 -0.73 0.20 0.00 -1.03 0.00 0.00 41.12 40.26 2r8y n ASP 144 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2r8y s ALA 145 N -3.29 0.82 0.16 2.12 0.00 -0.59 -4.92 121.76 116.06 2r8y s ALA 145 Ca 0.50 0.37 -0.34 0.00 0.00 0.00 0.00 51.96 52.50 2r8y s ALA 145 Cb 0.44 -3.39 -0.16 0.00 0.00 0.00 0.00 23.12 20.02 2r8y s ALA 145 CO 0.05 -3.13 1.25 1.58 0.00 0.00 0.00 175.76 175.50 2r8y n HIS 146 N -4.47 1.48 -0.34 0.00 -0.00 0.44 -4.83 115.22 107.50 2r8y n HIS 146 Ca 0.09 0.63 0.25 0.00 0.46 0.00 0.00 57.72 59.15 2r8y n HIS 146 Cb 0.53 -2.32 0.54 0.00 -0.12 0.00 0.00 29.99 28.62 2r8y n HIS 146 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 2r8y h PRO 147 N 3.83 0.32 0.00 1.57 0.11 -1.91 -0.15 132.00 135.77 2r8y h PRO 147 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2r8y h PRO 147 Cb 1.33 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2r8y h PRO 147 CO 0.73 0.21 0.00 -0.07 -0.21 0.00 0.00 178.00 178.66 2r8y h LEU 148 N 0.33 0.00 0.16 2.35 3.38 -1.98 -3.21 115.31 116.33 2r8y h LEU 148 Ca 0.63 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 58.27 2r8y h LEU 148 Cb 1.69 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.45 2r8y h LEU 148 CO -0.30 0.00 -1.60 0.25 0.09 0.00 0.00 178.44 176.87 2r8y h LEU 149 N 0.00 0.53 -0.52 1.67 5.85 -1.37 -3.41 115.31 118.06 2r8y h LEU 149 Ca 0.00 -0.73 0.10 0.00 0.84 0.00 0.00 57.88 58.09 2r8y h LEU 149 Cb 0.69 -0.17 -0.10 0.00 0.37 0.00 0.00 40.66 41.44 2r8y h LEU 149 CO 0.00 1.61 -0.22 0.40 -0.34 0.00 0.00 178.44 179.89 2r8y h ILE 150 N 0.09 0.34 0.00 4.05 2.04 -1.52 -0.99 117.51 121.52 2r8y h ILE 150 Ca -0.28 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.58 2r8y h ILE 150 Cb 2.07 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 38.48 2r8y h ILE 150 CO 0.18 0.00 0.00 -2.65 0.00 0.00 0.00 178.15 175.68 2r8y n PRO 151 N -5.41 0.02 0.07 2.37 -0.02 -1.26 -2.91 135.00 127.86 2r8y n PRO 151 Ca 0.04 0.26 -0.02 0.00 -2.02 0.00 0.00 63.50 61.76 2r8y n PRO 151 Cb 0.32 -1.54 -0.06 0.00 -0.02 0.00 0.00 33.50 32.20 2r8y n PRO 151 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2r8y h ARG 152 N 0.00 0.00 -7.06 -0.52 3.08 -1.42 -3.48 114.38 104.99 2r8y h ARG 152 Ca 0.00 0.00 -0.45 0.00 0.07 0.00 0.00 59.98 59.60 2r8y h ARG 152 Cb 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 2r8y h ARG 152 CO 0.00 0.55 0.35 0.00 -1.07 0.00 0.00 179.97 179.80 2r8y s ALA 153 N -2.85 2.99 0.22 0.04 0.00 -1.14 -4.98 121.76 116.05 2r8y s ALA 153 Ca 0.00 0.46 -0.09 0.00 0.00 0.00 0.00 51.96 52.33 2r8y s ALA 153 Cb 0.08 -3.18 0.18 0.00 0.00 0.00 0.00 23.12 20.21 2r8y s ALA 153 CO 0.79 0.00 1.89 -0.44 0.00 0.00 0.00 175.76 178.01 2r8y h ASP 154 N 1.83 0.93 -3.61 0.00 3.45 -1.64 -3.44 116.42 113.93 2r8y h ASP 154 Ca -0.49 -0.02 -0.35 0.00 0.43 0.00 0.00 57.03 56.60 2r8y h ASP 154 Cb 1.19 -0.23 -0.32 0.00 -0.56 0.00 0.00 39.33 39.41 2r8y h ASP 154 CO 0.60 0.67 -0.75 -0.47 -1.57 0.00 0.00 179.24 177.72 2r8y s TYR 155 N -6.13 0.46 -0.18 4.55 5.04 -0.76 -4.93 117.35 115.40 2r8y s TYR 155 Ca -0.13 -0.08 -0.04 0.00 -2.44 0.00 0.00 57.07 54.38 2r8y s TYR 155 Cb 0.16 -0.43 -0.02 0.00 0.35 0.00 0.00 41.96 42.02 2r8y s TYR 155 CO 0.79 -0.10 -0.02 0.08 -1.34 0.00 0.00 175.55 174.95 2r8y s VAL 156 N 0.62 3.83 0.64 3.14 1.01 -1.26 -1.58 120.40 126.80 2r8y s VAL 156 Ca -0.07 -0.36 -0.15 0.00 0.00 0.00 0.00 61.98 61.40 2r8y s VAL 156 Cb -0.10 -2.71 -0.01 0.00 0.00 0.00 0.00 36.38 33.56 2r8y s VAL 156 CO -0.01 0.45 1.10 0.42 0.00 0.00 0.00 175.10 177.07 2r8y s THR 157 N 0.80 3.32 0.14 3.92 -4.23 -0.37 -4.89 115.64 114.32 2r8y s THR 157 Ca -0.01 0.63 -0.02 0.00 -1.18 0.00 0.00 61.69 61.11 2r8y s THR 157 Cb -0.14 -3.15 -0.18 0.00 1.34 0.00 0.00 72.50 70.36 2r8y s THR 157 CO 0.02 -0.37 1.31 0.03 -0.54 0.00 0.00 174.62 175.08 2r8y h ARG 158 N 0.17 0.33 -6.13 3.99 -0.00 -1.92 -3.16 114.38 107.65 2r8y h ARG 158 Ca -0.47 -0.37 -0.59 0.00 -0.50 0.00 0.00 59.98 58.05 2r8y h ARG 158 Cb 1.24 0.11 -0.05 0.00 0.00 0.00 0.00 29.97 31.28 2r8y h ARG 158 CO 0.55 1.07 -0.18 0.42 0.00 0.00 0.00 179.97 181.82 2r8y s ILE 159 N -3.19 4.99 0.67 2.04 -1.09 -1.26 -4.75 121.20 118.60 2r8y s ILE 159 Ca -0.05 0.72 -0.14 0.00 -2.23 0.00 0.00 60.65 58.96 2r8y s ILE 159 Cb 0.09 -3.70 0.00 0.00 -1.58 0.00 0.00 42.46 37.27 2r8y s ILE 159 CO 0.86 0.39 1.08 0.00 -1.23 0.00 0.00 174.94 176.04 2r8y s ALA 160 N -1.29 2.56 0.13 9.38 0.00 -1.26 -3.16 121.76 128.12 2r8y s ALA 160 Ca 0.31 0.35 -0.35 0.00 0.00 0.00 0.00 51.96 52.27 2r8y s ALA 160 Cb -0.15 -3.25 -0.16 0.00 0.00 0.00 0.00 23.12 19.55 2r8y s ALA 160 CO 0.17 -1.21 1.33 0.41 0.00 0.00 0.00 175.76 176.46 2r8y n GLY 161 N -1.09 0.46 2.98 0.00 0.00 -1.26 -1.87 105.19 104.41 2r8y n GLY 161 Ca 0.09 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.74 2r8y n GLY 161 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r8y n GLY 162 N 2.47 1.69 0.40 -0.02 0.00 -0.65 -3.63 105.19 105.45 2r8y n GLY 162 Ca 0.17 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.23 2r8y n GLY 162 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2r8y n ARG 163 N -2.00 0.60 0.00 1.61 5.12 -0.78 -4.54 116.66 116.67 2r8y n ARG 163 Ca 0.00 -1.17 0.00 0.00 -1.93 0.00 0.00 57.85 54.75 2r8y n ARG 163 Cb 0.00 -1.19 0.00 0.00 -1.16 0.00 0.00 32.46 30.11 2r8y n ARG 163 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2r8y n GLY 164 N 0.52 1.77 0.38 -0.13 0.00 -1.24 -4.85 105.19 101.65 2r8y n GLY 164 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.07 2r8y n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r8y h ALA 165 N 0.00 1.29 -0.36 4.61 0.00 -1.73 -1.32 119.26 121.75 2r8y h ALA 165 Ca 0.00 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 2r8y h ALA 165 Cb 0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 2r8y h ALA 165 CO 0.00 0.63 -0.21 0.28 0.00 0.00 0.00 179.25 179.95 2r8y h VAL 166 N 1.33 1.29 -0.69 0.00 2.07 -1.89 -1.71 116.25 116.64 2r8y h VAL 166 Ca 0.38 -1.34 0.03 0.00 0.82 0.00 0.00 66.70 66.58 2r8y h VAL 166 Cb -0.11 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 2r8y h VAL 166 CO -0.09 0.44 0.43 -0.09 0.02 0.00 0.00 177.57 178.28 2r8y h ARG 167 N 0.56 0.81 -0.57 1.57 9.65 -1.78 -0.35 114.38 124.28 2r8y h ARG 167 Ca 0.08 -0.05 0.05 0.00 -1.10 0.00 0.00 59.98 58.96 2r8y h ARG 167 Cb 0.76 -0.18 -0.05 0.00 -1.39 0.00 0.00 29.97 29.11 2r8y h ARG 167 CO 0.06 0.54 0.29 1.49 2.80 0.00 0.00 179.97 185.15 2r8y h GLU 168 N 0.83 0.54 -0.25 0.20 4.81 -1.03 0.20 114.58 119.88 2r8y h GLU 168 Ca 0.28 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.45 2r8y h GLU 168 Cb 0.03 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 2r8y h GLU 168 CO -0.11 0.36 0.07 0.28 -0.73 0.00 0.00 179.01 178.87 2r8y h VAL 169 N 0.56 1.21 -0.26 0.32 2.07 -0.97 -1.38 116.25 117.78 2r8y h VAL 169 Ca 0.25 -0.67 0.05 0.00 0.82 0.00 0.00 66.70 67.16 2r8y h VAL 169 Cb 0.16 1.17 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 2r8y h VAL 169 CO -0.17 0.22 -0.06 0.00 0.02 0.00 0.00 177.57 177.57 2r8y h ASP 171 N 0.00 0.91 0.06 0.00 3.45 -0.57 -1.14 116.42 119.13 2r8y h ASP 171 Ca 0.13 0.05 -0.00 0.00 0.43 0.00 0.00 57.03 57.63 2r8y h ASP 171 Cb 0.19 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 38.82 2r8y h ASP 171 CO -0.27 0.49 -0.03 0.25 -1.57 0.00 0.00 179.24 178.11 2r8y h LEU 172 N 0.99 -0.07 -0.39 1.55 5.85 -0.28 -0.61 115.31 122.34 2r8y h LEU 172 Ca 0.48 -0.28 0.05 0.00 0.84 0.00 0.00 57.88 58.97 2r8y h LEU 172 Cb 0.45 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 2r8y h LEU 172 CO -0.26 0.25 0.14 -0.07 -0.34 0.00 0.00 178.44 178.16 2r8y h LEU 173 N -0.40 0.16 -0.28 2.25 3.38 -0.92 -0.13 115.31 119.36 2r8y h LEU 173 Ca -0.01 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2r8y h LEU 173 Cb 0.35 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2r8y h LEU 173 CO 0.01 0.13 0.14 -0.07 0.09 0.00 0.00 178.44 178.74 2r8y h LEU 174 N 0.31 0.37 -0.35 1.67 3.38 -1.19 -1.46 115.31 118.03 2r8y h LEU 174 Ca 0.18 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.07 2r8y h LEU 174 Cb 0.16 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 2r8y h LEU 174 CO -0.18 0.39 0.11 0.25 0.09 0.00 0.00 178.44 179.10 2r8y h LEU 175 N 0.33 0.10 -1.85 1.67 5.85 -0.89 0.18 115.31 120.70 2r8y h LEU 175 Ca 0.10 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 2r8y h LEU 175 Cb 0.12 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.18 2r8y h LEU 175 CO -0.01 0.09 -0.09 0.00 -0.34 0.00 0.00 178.44 178.09 2r8y h ALA 176 N 1.24 1.79 -0.48 1.25 0.00 -0.70 -2.09 119.26 120.26 2r8y h ALA 176 Ca 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2r8y h ALA 176 Cb 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2r8y h ALA 176 CO -0.18 0.12 0.00 1.04 0.00 0.00 0.00 179.25 180.23 2r8y n GLN 177 N -4.34 2.37 -2.84 0.00 6.02 -0.58 -4.56 117.38 113.44 2r8y n GLN 177 Ca -0.03 -2.10 -0.19 0.00 -0.01 0.00 0.00 57.00 54.67 2r8y n GLN 177 Cb 0.17 -1.48 0.03 0.00 1.02 0.00 0.00 30.24 29.97 2r8y n GLN 177 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2r8y n GLY 178 N 1.45 -0.36 0.07 1.08 0.00 -0.71 -4.92 105.19 101.81 2r8y n GLY 178 Ca 0.20 -0.01 0.01 0.00 0.00 0.00 0.00 46.02 46.22 2r8y n GLY 178 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2r8y n LYS 179 N -3.47 1.18 0.09 1.61 5.02 0.57 -4.82 118.16 118.34 2r8y n LYS 179 Ca -0.11 -0.47 -0.13 0.00 -2.02 0.00 0.00 58.31 55.58 2r8y n LYS 179 Cb 0.61 -0.93 -0.08 0.00 -0.02 0.00 0.00 35.03 34.61 2r8y n LYS 179 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2r8y h LEU 180 N 0.35 -0.22 -1.16 -0.35 5.85 -1.85 -1.56 115.31 116.38 2r8y h LEU 180 Ca 0.00 -0.28 0.19 0.00 0.84 0.00 0.00 57.88 58.63 2r8y h LEU 180 Cb 0.09 0.06 -0.09 0.00 0.37 0.00 0.00 40.66 41.08 2r8y h LEU 180 CO 0.00 0.20 0.61 0.44 -0.34 0.00 0.00 178.44 179.35 2r8y h ASP 181 N -0.69 0.69 -0.29 1.25 5.19 -1.92 -2.00 116.42 118.66 2r8y h ASP 181 Ca -0.03 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 2r8y h ASP 181 Cb 0.49 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.94 2r8y h ASP 181 CO 0.04 0.27 0.00 -0.62 -3.12 0.00 0.00 179.24 175.81 2r8y n GLU 182 N -4.67 2.37 -2.07 3.56 -0.58 -1.21 -4.97 120.64 113.06 2r8y n GLU 182 Ca 0.22 -2.14 -0.38 0.00 -0.42 0.00 0.00 57.16 54.44 2r8y n GLU 182 Cb 0.59 -1.48 0.01 0.00 -0.57 0.00 0.00 31.44 29.99 2r8y n GLU 182 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2r8y s ALA 183 N -1.54 2.95 -0.01 0.62 0.00 -0.59 -5.04 121.76 118.15 2r8y s ALA 183 Ca 0.34 1.10 0.03 0.00 0.00 0.00 0.00 51.96 53.43 2r8y s ALA 183 Cb 0.21 -3.46 -0.00 0.00 0.00 0.00 0.00 23.12 19.87 2r8y s ALA 183 CO 0.30 -0.92 -0.10 0.15 0.00 0.00 0.00 175.76 175.19 2r8y s LYS 184 N -2.71 0.86 0.19 0.00 -0.14 -1.26 -5.05 119.74 111.64 2r8y s LYS 184 Ca 0.65 -0.33 0.01 0.00 -1.36 0.00 0.00 55.97 54.94 2r8y s LYS 184 Cb -0.34 -0.82 -0.00 0.00 -1.68 0.00 0.00 37.83 34.99 2r8y s LYS 184 CO 0.41 0.17 0.24 0.41 -0.76 0.00 0.00 175.35 175.82 2r8y n GLY 185 N 3.01 2.84 3.23 -3.33 0.00 -1.26 -3.70 105.19 105.99 2r8y n GLY 185 Ca -0.15 -1.61 -0.31 0.00 0.00 0.00 0.00 46.02 43.95 2r8y n GLY 185 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2r8y s GLN 186 N -2.55 2.64 -1.25 1.61 1.11 -1.26 -5.00 119.66 114.95 2r8y s GLN 186 Ca 0.18 -0.86 -0.15 0.00 0.01 0.00 0.00 55.36 54.54 2r8y s GLN 186 Cb -0.00 -2.14 0.13 0.00 -1.01 0.00 0.00 33.01 29.99 2r8y s GLN 186 CO 0.13 0.29 1.58 0.45 0.01 0.00 0.00 175.29 177.75 2r8y n SER 187 N 3.18 5.09 0.00 5.90 2.88 -1.26 -2.77 113.62 126.64 2r8y n SER 187 Ca -0.18 -2.96 0.00 0.00 -1.33 0.00 0.00 58.87 54.40 2r8y n SER 187 Cb 0.52 -1.64 0.00 0.00 -0.75 0.00 0.00 64.21 62.34 2r8y n SER 187 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11