#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 3.29 0.25 1.96 0.00 -1.26 0.49 121.76 126.49 2r8y s ALA 9 Ca 0.00 0.46 0.07 0.00 0.00 0.00 0.00 51.96 52.49 2r8y s ALA 9 Cb 0.00 -3.39 -0.05 0.00 0.00 0.00 0.00 23.12 19.67 2r8y s ALA 9 CO 0.00 -0.43 -0.08 0.95 0.00 0.00 0.00 175.76 176.20 2r8y s THR 10 N 1.54 1.61 -0.81 0.00 -4.23 -1.16 -4.95 115.64 107.64 2r8y s THR 10 Ca 0.50 -2.14 0.09 0.00 -1.18 0.00 0.00 61.69 58.97 2r8y s THR 10 Cb -0.20 -2.32 0.09 0.00 1.34 0.00 0.00 72.50 71.41 2r8y s THR 10 CO 0.23 -0.39 1.29 0.00 -0.54 0.00 0.00 174.62 175.21 2r8y n TYR 12 N -1.71 0.00 0.00 0.00 4.02 -1.26 -5.08 117.16 113.13 2r8y n TYR 12 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 2r8y n TYR 12 Cb 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.39 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 1.18 2.71 3.67 2.72 0.00 -0.48 -4.92 105.19 110.07 2r8y n GLY 13 Ca 0.12 -2.10 -0.39 0.00 0.00 0.00 0.00 46.02 43.65 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 -0.89 1.44 -4.19 1.61 -0.02 -1.26 -3.00 135.00 128.68 2r8y n PRO 14 Ca 0.00 0.53 -0.17 0.00 -2.02 0.00 0.00 63.50 61.84 2r8y n PRO 14 Cb 0.00 -2.30 -0.13 0.00 -0.02 0.00 0.00 33.50 31.06 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 -1.33 0.83 0.76 -1.45 -7.23 0.18 -4.91 120.40 107.25 2r8y s VAL 15 Ca 0.69 -0.99 -0.12 0.00 -1.81 0.00 0.00 61.98 59.74 2r8y s VAL 15 Cb -0.47 -0.81 0.05 0.00 0.56 0.00 0.00 36.38 35.72 2r8y s VAL 15 CO 0.52 -0.16 1.12 -0.94 -0.31 0.00 0.00 175.10 175.33 2r8y s SER 16 N -1.28 4.41 0.22 4.85 1.04 -1.26 -4.41 113.70 117.27 2r8y s SER 16 Ca -0.03 1.98 -0.07 0.00 0.48 0.00 0.00 55.95 58.31 2r8y s SER 16 Cb -0.08 -2.54 0.19 0.00 0.10 0.00 0.00 66.02 63.68 2r8y s SER 16 CO 0.01 -2.10 1.83 0.00 0.98 0.00 0.00 173.24 173.95 2r8y h ALA 17 N -0.82 1.11 -0.32 5.32 0.00 -1.99 -1.95 119.26 120.62 2r8y h ALA 17 Ca -0.45 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.36 2r8y h ALA 17 Cb 1.25 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 2r8y h ALA 17 CO 0.50 0.66 0.01 0.22 0.00 0.00 0.00 179.25 180.65 2r8y h ASP 18 N 1.22 -0.10 -0.62 0.00 3.58 -1.99 0.22 116.42 118.73 2r8y h ASP 18 Ca 0.30 0.07 -0.04 0.00 0.42 0.00 0.00 57.03 57.78 2r8y h ASP 18 Cb 0.10 0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.24 2r8y h ASP 18 CO -0.04 -0.02 0.22 0.58 -2.88 0.00 0.00 179.24 177.11 2r8y h VAL 19 N 0.11 1.24 -0.48 2.25 2.07 -1.87 -1.88 116.25 117.68 2r8y h VAL 19 Ca 0.16 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 2r8y h VAL 19 Cb 0.20 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 2r8y h VAL 19 CO -0.25 0.30 0.25 -0.03 0.02 0.00 0.00 177.57 177.86 2r8y h MET 20 N 0.87 0.69 -0.51 1.57 1.85 -0.71 -1.25 114.93 117.44 2r8y h MET 20 Ca 0.20 -0.09 -0.08 0.00 -0.61 0.00 0.00 59.70 59.12 2r8y h MET 20 Cb 0.24 -0.13 -0.02 0.00 0.43 0.00 0.00 31.60 32.12 2r8y h MET 20 CO -0.01 0.56 0.01 0.00 -0.40 0.00 0.00 176.91 177.07 2r8y h ALA 21 N 1.09 1.05 -0.28 0.39 0.00 -0.40 -1.57 119.26 119.54 2r8y h ALA 21 Ca 0.17 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2r8y h ALA 21 Cb 0.09 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2r8y h ALA 21 CO -0.02 0.60 0.15 0.87 0.00 0.00 0.00 179.25 180.85 2r8y h LYS 22 N 0.80 0.39 0.00 0.00 1.57 -1.16 -2.87 116.57 115.30 2r8y h LYS 22 Ca 0.15 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 2r8y h LYS 22 Cb 0.47 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 2r8y h LYS 22 CO 0.02 0.34 -0.07 0.00 -0.57 0.00 0.00 179.45 179.17 2r8y h ALA 23 N 1.03 1.13 -0.05 3.86 0.00 -0.89 -2.89 119.26 121.45 2r8y h ALA 23 Ca 0.10 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 2r8y h ALA 23 Cb 0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2r8y h ALA 23 CO -0.02 0.09 -0.53 1.49 0.00 0.00 0.00 179.25 180.29 2r8y h GLU 24 N 0.00 0.13 -0.67 0.00 4.22 -1.05 -3.14 114.58 114.06 2r8y h GLU 24 Ca -0.00 -0.08 0.00 0.00 0.08 0.00 0.00 59.36 59.36 2r8y h GLU 24 Cb 0.35 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2r8y h GLU 24 CO 0.01 0.63 0.00 0.09 -2.18 0.00 0.00 179.01 177.56 2r8y n ASN 25 N -3.92 4.27 -4.67 1.04 5.03 -1.09 -4.76 115.26 111.16 2r8y n ASN 25 Ca -0.02 -2.27 -0.43 0.00 0.87 0.00 0.00 54.58 52.74 2r8y n ASN 25 Cb 0.55 -0.53 -0.02 0.00 -1.02 0.00 0.00 39.78 38.76 2r8y n ASN 25 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2r8y s ILE 26 N -1.55 4.56 -0.10 2.41 -1.09 -1.19 -4.40 121.20 119.84 2r8y s ILE 26 Ca 0.48 1.87 0.12 0.00 -2.23 0.00 0.00 60.65 60.89 2r8y s ILE 26 Cb 0.29 -4.21 -0.17 0.00 -1.58 0.00 0.00 42.46 36.80 2r8y s ILE 26 CO 0.27 -0.12 0.09 0.54 -1.23 0.00 0.00 174.94 174.48 2r8y n ARG 27 N 6.09 1.65 -4.40 2.79 5.12 0.15 -4.86 116.66 123.20 2r8y n ARG 27 Ca 0.12 -0.03 -0.26 0.00 -1.93 0.00 0.00 57.85 55.75 2r8y n ARG 27 Cb 0.46 -1.32 -0.17 0.00 -1.16 0.00 0.00 32.46 30.27 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 -4.73 1.56 -0.34 0.55 2.96 -1.00 -0.90 118.68 116.79 2r8y s LEU 28 Ca -0.06 -0.33 -0.08 0.00 -0.22 0.00 0.00 54.13 53.43 2r8y s LEU 28 Cb 0.05 -0.90 0.02 0.00 0.50 0.00 0.00 46.19 45.86 2r8y s LEU 28 CO 0.52 -0.01 0.14 -0.22 -1.32 0.00 0.00 176.35 175.46 2r8y s LEU 29 N 0.98 4.33 -0.17 -0.68 2.96 0.14 -1.04 118.68 125.19 2r8y s LEU 29 Ca -0.08 -0.94 -0.10 0.00 -0.22 0.00 0.00 54.13 52.79 2r8y s LEU 29 Cb -0.15 -1.94 -0.05 0.00 0.50 0.00 0.00 46.19 44.56 2r8y s LEU 29 CO -0.00 -0.30 0.15 -0.63 -1.32 0.00 0.00 176.35 174.24 2r8y s ILE 30 N 1.49 5.42 -0.05 6.68 1.01 0.65 -1.28 121.20 135.13 2r8y s ILE 30 Ca 0.01 0.23 0.06 0.00 0.00 0.00 0.00 60.65 60.95 2r8y s ILE 30 Cb -0.19 -3.47 -0.01 0.00 0.01 0.00 0.00 42.46 38.81 2r8y s ILE 30 CO 0.04 0.48 -0.23 -0.76 0.00 0.00 0.00 174.94 174.48 2r8y s LEU 31 N 0.01 2.02 0.69 2.97 1.43 0.08 -1.63 118.68 124.25 2r8y s LEU 31 Ca 0.11 -0.46 -0.11 0.00 -1.03 0.00 0.00 54.13 52.64 2r8y s LEU 31 Cb -0.11 -1.24 0.00 0.00 0.03 0.00 0.00 46.19 44.86 2r8y s LEU 31 CO 0.00 0.22 1.06 -0.62 0.23 0.00 0.00 176.35 177.24 2r8y s ASP 32 N -0.13 5.55 0.00 2.29 3.68 -0.99 -2.27 116.67 124.80 2r8y s ASP 32 Ca -0.03 1.43 0.00 0.00 2.13 0.00 0.00 52.55 56.08 2r8y s ASP 32 Cb -0.13 -2.33 0.00 0.00 -1.45 0.00 0.00 42.92 39.01 2r8y s ASP 32 CO 0.03 -1.31 0.00 0.52 0.13 0.00 0.00 175.17 174.54 2r8y n VAL 33 N -3.03 0.00 -2.34 1.11 0.31 -1.26 -3.78 118.33 109.34 2r8y n VAL 33 Ca 0.07 0.49 -0.43 0.00 -0.01 0.00 0.00 64.34 64.46 2r8y n VAL 33 Cb 0.55 -1.49 -0.02 0.00 -0.91 0.00 0.00 33.84 31.96 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 -3.73 6.84 0.00 4.52 1.01 -1.26 -0.41 116.67 123.64 2r8y s ASP 34 Ca 0.00 1.72 0.00 0.00 0.71 0.00 0.00 52.55 54.98 2r8y s ASP 34 Cb 0.00 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.39 2r8y s ASP 34 CO 0.00 -0.85 0.00 0.61 0.21 0.00 0.00 175.17 175.14 2r8y n GLY 35 N 3.83 1.00 0.77 0.21 0.00 -1.07 -4.76 105.19 105.16 2r8y n GLY 35 Ca 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.16 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 0.67 1.08 1.61 0.31 -0.80 -4.10 118.33 115.10 2r8y n VAL 36 Ca 0.00 0.24 0.14 0.00 -0.01 0.00 0.00 64.34 64.70 2r8y n VAL 36 Cb 0.00 -1.47 0.52 0.00 -0.91 0.00 0.00 33.84 31.99 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 -3.14 0.20 -4.40 7.52 4.77 0.45 -1.36 117.00 121.04 2r8y n LEU 37 Ca -0.02 0.29 -0.20 0.00 -0.03 0.00 0.00 56.01 56.04 2r8y n LEU 37 Cb 0.07 -0.38 -0.09 0.00 -2.33 0.00 0.00 43.42 40.69 2r8y n LEU 37 CO 0.03 0.05 -0.22 -0.94 -1.33 0.00 0.00 177.39 174.97 2r8y s SER 38 N -2.91 1.92 -0.03 -1.43 1.04 -1.07 -4.00 113.70 107.23 2r8y s SER 38 Ca 0.16 -1.52 0.05 0.00 0.48 0.00 0.00 55.95 55.12 2r8y s SER 38 Cb 0.19 0.28 0.19 0.00 0.10 0.00 0.00 66.02 66.78 2r8y s SER 38 CO 0.57 -0.81 0.97 -0.90 0.98 0.00 0.00 173.24 174.04 2r8y n ASP 39 N -0.88 1.69 0.00 7.02 3.85 -1.24 -2.20 116.55 124.79 2r8y n ASP 39 Ca -0.01 -2.13 0.00 0.00 -0.71 0.00 0.00 54.79 51.93 2r8y n ASP 39 Cb 0.65 -0.36 0.00 0.00 -1.35 0.00 0.00 41.12 40.07 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 0.46 0.75 3.82 6.12 0.00 -1.26 -4.68 105.19 110.40 2r8y n GLY 40 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 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 4.40 -0.22 0.99 1.43 -1.26 -4.75 118.68 119.27 2r8y s LEU 41 Ca 0.00 1.35 0.02 0.00 -1.03 0.00 0.00 54.13 54.47 2r8y s LEU 41 Cb 0.00 -3.37 0.04 0.00 0.03 0.00 0.00 46.19 42.89 2r8y s LEU 41 CO 0.00 0.11 -0.14 -0.63 0.23 0.00 0.00 176.35 175.92 2r8y s ILE 42 N -1.40 2.03 -0.17 -0.59 -1.09 -1.26 -4.75 121.20 113.97 2r8y s ILE 42 Ca 0.39 -1.28 -0.23 0.00 -2.23 0.00 0.00 60.65 57.30 2r8y s ILE 42 Cb -0.18 -2.03 -0.02 0.00 -1.58 0.00 0.00 42.46 38.65 2r8y s ILE 42 CO 0.21 0.20 0.70 -0.31 -1.23 0.00 0.00 174.94 174.51 2r8y s TYR 43 N 1.22 3.42 -0.01 3.97 1.51 -0.99 -4.98 117.35 121.49 2r8y s TYR 43 Ca -0.03 1.08 0.06 0.00 -1.01 0.00 0.00 57.07 57.17 2r8y s TYR 43 Cb -0.17 -2.86 -0.02 0.00 -0.11 0.00 0.00 41.96 38.81 2r8y s TYR 43 CO -0.08 -0.15 -0.18 -1.64 -1.11 0.00 0.00 175.55 172.39 2r8y s MET 44 N 1.78 1.44 0.39 -0.62 -1.94 -1.26 -1.29 119.30 117.80 2r8y s MET 44 Ca 0.33 -0.68 0.08 0.00 -1.71 0.00 0.00 55.69 53.71 2r8y s MET 44 Cb -0.16 -1.41 -0.07 0.00 2.01 0.00 0.00 34.83 35.20 2r8y s MET 44 CO 0.12 0.38 0.02 0.20 -0.01 0.00 0.00 175.02 175.74 2r8y s GLY 45 N -0.53 2.38 0.42 -0.03 0.00 -0.58 -4.97 107.32 104.01 2r8y s GLY 45 Ca 0.07 -2.20 0.18 0.00 0.00 0.00 0.00 44.72 42.77 2r8y s GLY 45 CO -0.00 -2.03 1.90 3.43 0.00 0.00 0.00 173.10 176.39 2r8y h ASN 46 N 1.75 0.00 -0.32 1.64 2.35 -2.02 -2.13 115.58 116.86 2r8y h ASN 46 Ca -0.43 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.32 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 0.76 0.28 0.00 0.59 -1.65 0.00 0.00 177.43 177.40 2r8y n ASN 47 N -3.90 2.95 -0.03 5.81 5.03 -1.26 -4.89 115.26 118.97 2r8y n ASN 47 Ca -0.02 -2.31 -0.00 0.00 0.87 0.00 0.00 54.58 53.12 2r8y n ASN 47 Cb 0.35 -0.48 -0.00 0.00 -1.02 0.00 0.00 39.78 38.63 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 0.59 0.47 3.75 7.41 0.00 -0.80 -5.02 105.19 111.58 2r8y n GLY 48 Ca 0.14 -0.20 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 2r8y n GLY 48 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2r8y s GLU 49 N -0.57 2.61 -0.01 1.61 8.01 -1.25 -4.80 118.70 124.30 2r8y s GLU 49 Ca 0.00 1.65 0.01 0.00 0.01 0.00 0.00 54.97 56.64 2r8y s GLU 49 Cb 0.00 -1.90 0.00 0.00 -4.31 0.00 0.00 34.13 27.92 2r8y s GLU 49 CO 0.00 -1.44 -0.03 -2.00 0.01 0.00 0.00 175.26 171.80 2r8y s GLU 50 N -3.79 0.27 0.13 1.61 2.12 -1.26 -1.52 118.70 116.26 2r8y s GLU 50 Ca 0.73 -0.08 0.05 0.00 0.36 0.00 0.00 54.97 56.03 2r8y s GLU 50 Cb -0.26 -0.29 -0.04 0.00 0.26 0.00 0.00 34.13 33.79 2r8y s GLU 50 CO 0.40 0.03 -0.13 -0.51 -0.54 0.00 0.00 175.26 174.51 2r8y s LEU 51 N 0.14 2.45 -0.02 2.70 1.43 -0.41 -5.01 118.68 119.96 2r8y s LEU 51 Ca -0.01 -0.88 -0.07 0.00 -1.03 0.00 0.00 54.13 52.14 2r8y s LEU 51 Cb -0.04 -0.49 0.01 0.00 0.03 0.00 0.00 46.19 45.70 2r8y s LEU 51 CO -0.00 -0.20 0.14 -0.75 0.23 0.00 0.00 176.35 175.77 2r8y s LYS 52 N -3.03 0.38 -0.24 1.70 2.20 -1.26 -2.36 119.74 117.13 2r8y s LYS 52 Ca 0.12 -0.18 -0.07 0.00 -0.36 0.00 0.00 55.97 55.47 2r8y s LYS 52 Cb -0.03 0.16 -0.03 0.00 -1.51 0.00 0.00 37.83 36.43 2r8y s LYS 52 CO 0.02 -0.08 0.07 0.00 -0.36 0.00 0.00 175.35 175.00 2r8y s ALA 53 N -0.87 3.21 0.27 3.13 0.00 -1.26 -5.10 121.76 121.14 2r8y s ALA 53 Ca -0.10 -1.06 0.08 0.00 0.00 0.00 0.00 51.96 50.88 2r8y s ALA 53 Cb -0.05 -2.06 -0.04 0.00 0.00 0.00 0.00 23.12 20.97 2r8y s ALA 53 CO 0.01 -0.37 0.16 -0.06 0.00 0.00 0.00 175.76 175.50 2r8y s PHE 54 N 1.41 2.95 -0.17 0.00 0.40 -1.26 -4.31 117.98 117.00 2r8y s PHE 54 Ca 0.05 -0.19 -0.04 0.00 -0.60 0.00 0.00 56.93 56.16 2r8y s PHE 54 Cb -0.15 -1.43 -0.03 0.00 0.51 0.00 0.00 43.02 41.92 2r8y s PHE 54 CO 0.04 0.48 -0.03 1.21 0.70 0.00 0.00 175.22 177.62 2r8y s ASN 55 N -3.83 4.81 0.54 1.36 3.04 -1.26 -5.01 114.94 114.60 2r8y s ASN 55 Ca 0.34 -0.14 0.24 0.00 0.04 0.00 0.00 52.86 53.34 2r8y s ASN 55 Cb -0.07 -1.79 1.50 0.00 -1.54 0.00 0.00 41.25 39.34 2r8y s ASN 55 CO 0.24 0.15 2.15 -0.37 -3.04 0.00 0.00 177.10 176.22 2r8y h VAL 56 N 5.19 0.72 -0.02 -5.21 -1.51 -1.93 -1.97 116.25 111.54 2r8y h VAL 56 Ca -0.32 -0.24 -0.18 0.00 -1.23 0.00 0.00 66.70 64.73 2r8y h VAL 56 Cb 1.19 1.14 -0.01 0.00 -2.13 0.00 0.00 31.29 31.48 2r8y h VAL 56 CO 0.63 0.06 -0.78 0.03 -1.23 0.00 0.00 177.57 176.27 2r8y h ARG 57 N 0.00 0.17 -0.43 5.19 3.08 -1.94 -1.56 114.38 118.89 2r8y h ARG 57 Ca -0.00 -0.16 -0.07 0.00 0.07 0.00 0.00 59.98 59.81 2r8y h ARG 57 Cb 0.14 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 2r8y h ARG 57 CO 0.01 0.87 -0.04 -0.44 -1.07 0.00 0.00 179.97 179.29 2r8y h ASP 58 N 0.11 0.69 -0.41 7.04 3.32 -1.73 -2.66 116.42 122.77 2r8y h ASP 58 Ca -0.03 -0.17 0.02 0.00 0.02 0.00 0.00 57.03 56.87 2r8y h ASP 58 Cb 1.37 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.71 2r8y h ASP 58 CO 0.12 0.79 0.24 1.23 -1.72 0.00 0.00 179.24 179.90 2r8y h GLY 59 N 0.96 0.58 1.01 2.75 0.00 -0.95 -0.76 103.07 106.65 2r8y h GLY 59 Ca 0.13 -0.18 0.01 0.00 0.00 0.00 0.00 47.33 47.28 2r8y h GLY 59 CO 0.02 0.16 0.44 -1.82 0.00 0.00 0.00 176.54 175.34 2r8y h TYR 60 N 0.49 0.84 -0.22 5.60 5.03 -1.19 -1.59 116.97 125.93 2r8y h TYR 60 Ca 0.16 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.49 2r8y h TYR 60 Cb 0.01 -0.28 -0.01 0.00 1.55 0.00 0.00 36.73 38.00 2r8y h TYR 60 CO -0.07 0.53 0.11 0.78 -1.32 0.00 0.00 178.16 178.19 2r8y h GLY 61 N 0.90 0.34 0.89 1.82 0.00 -1.18 -1.68 103.07 104.16 2r8y h GLY 61 Ca 0.24 -0.17 0.03 0.00 0.00 0.00 0.00 47.33 47.44 2r8y h GLY 61 CO -0.05 0.16 0.56 -2.22 0.00 0.00 0.00 176.54 174.98 2r8y h ILE 62 N 0.23 1.15 -0.16 2.60 2.04 -1.01 -0.80 117.51 121.55 2r8y h ILE 62 Ca 0.08 -0.37 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 2r8y h ILE 62 Cb 0.11 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.14 2r8y h ILE 62 CO -0.01 0.20 0.10 0.03 0.00 0.00 0.00 178.15 178.47 2r8y h ARG 63 N 1.09 0.22 -0.94 2.37 2.47 -1.16 -1.85 114.38 116.58 2r8y h ARG 63 Ca 0.34 -0.02 0.09 0.00 -1.26 0.00 0.00 59.98 59.12 2r8y h ARG 63 Cb -0.01 -0.05 -0.07 0.00 -1.65 0.00 0.00 29.97 28.19 2r8y h ARG 63 CO -0.11 0.20 0.59 0.00 0.56 0.00 0.00 179.97 181.21 2r8y h ALA 65 N 1.47 0.16 -0.49 0.00 0.00 -0.83 -2.73 119.26 116.84 2r8y h ALA 65 Ca 0.43 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 2r8y h ALA 65 Cb 0.29 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2r8y h ALA 65 CO -0.21 -0.14 0.10 -0.07 0.00 0.00 0.00 179.25 178.93 2r8y h LEU 66 N -0.05 0.69 -1.03 0.00 3.38 -1.16 -0.89 115.31 116.24 2r8y h LEU 66 Ca 0.03 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2r8y h LEU 66 Cb 0.36 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2r8y h LEU 66 CO 0.01 0.70 0.00 0.35 0.09 0.00 0.00 178.44 179.58 2r8y n THR 67 N -4.28 0.40 -2.21 0.22 -2.24 -0.78 -3.85 114.28 101.54 2r8y n THR 67 Ca 0.03 -0.36 0.01 0.00 -2.27 0.00 0.00 64.05 61.46 2r8y n THR 67 Cb 0.23 0.12 0.09 0.00 -2.10 0.00 0.00 70.33 68.67 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 0.26 1.72 -2.22 3.42 7.64 -0.72 -4.94 113.62 118.78 2r8y n SER 68 Ca 0.09 -2.80 -0.19 0.00 1.01 0.00 0.00 58.87 56.97 2r8y n SER 68 Cb 0.25 -0.40 -0.01 0.00 -1.01 0.00 0.00 64.21 63.04 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 -0.31 -5.58 -4.06 6.43 4.64 -1.22 -4.99 116.55 111.47 2r8y n ASP 69 Ca 0.14 -0.02 -0.32 0.00 -1.38 0.00 0.00 54.79 53.22 2r8y n ASP 69 Cb 0.93 -4.62 -0.15 0.00 -1.04 0.00 0.00 41.12 36.25 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 -2.97 2.20 0.52 5.18 1.01 -0.42 -4.81 121.20 121.91 2r8y s ILE 70 Ca 0.00 -1.74 -0.20 0.00 0.00 0.00 0.00 60.65 58.71 2r8y s ILE 70 Cb -0.00 -2.35 -0.07 0.00 0.01 0.00 0.00 42.46 40.05 2r8y s ILE 70 CO 0.00 -0.12 1.08 -1.61 0.00 0.00 0.00 174.94 174.30 2r8y s GLU 71 N 1.07 3.54 -0.06 2.79 0.41 -0.08 -2.98 118.70 123.39 2r8y s GLU 71 Ca -0.06 1.48 0.04 0.00 -0.41 0.00 0.00 54.97 56.02 2r8y s GLU 71 Cb -0.20 -2.05 -0.00 0.00 -1.78 0.00 0.00 34.13 30.10 2r8y s GLU 71 CO -0.05 -0.67 -0.20 0.08 -0.49 0.00 0.00 175.26 173.93 2r8y s VAL 72 N -1.91 1.72 0.13 2.63 1.01 -1.26 0.26 120.40 122.98 2r8y s VAL 72 Ca 0.70 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.86 2r8y s VAL 72 Cb -0.20 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 2r8y s VAL 72 CO 0.24 0.48 -0.09 0.00 0.00 0.00 0.00 175.10 175.74 2r8y s ALA 73 N 0.15 1.31 -0.07 5.51 0.00 -0.40 -4.30 121.76 123.97 2r8y s ALA 73 Ca -0.09 -1.43 0.01 0.00 0.00 0.00 0.00 51.96 50.45 2r8y s ALA 73 Cb -0.14 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.07 2r8y s ALA 73 CO 0.05 -0.12 -0.09 0.42 0.00 0.00 0.00 175.76 176.02 2r8y s ILE 74 N -3.30 0.90 -0.14 0.00 1.01 -0.50 -0.74 121.20 118.43 2r8y s ILE 74 Ca 0.14 -0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.48 2r8y s ILE 74 Cb 0.03 -0.87 0.02 0.00 0.01 0.00 0.00 42.46 41.65 2r8y s ILE 74 CO -0.01 0.31 -0.12 -0.63 0.00 0.00 0.00 174.94 174.50 2r8y s ILE 75 N 0.96 1.37 0.03 2.92 1.01 -0.96 0.15 121.20 126.67 2r8y s ILE 75 Ca -0.10 -0.50 0.01 0.00 0.00 0.00 0.00 60.65 60.06 2r8y s ILE 75 Cb -0.15 -1.31 -0.02 0.00 0.01 0.00 0.00 42.46 40.99 2r8y s ILE 75 CO 0.00 0.42 -0.05 0.28 0.00 0.00 0.00 174.94 175.59 2r8y s THR 76 N 1.57 0.35 0.22 2.92 -1.32 -0.01 -4.26 115.64 115.11 2r8y s THR 76 Ca 0.05 -0.87 0.07 0.00 -1.21 0.00 0.00 61.69 59.73 2r8y s THR 76 Cb -0.13 -0.42 -0.08 0.00 -1.51 0.00 0.00 72.50 70.36 2r8y s THR 76 CO -0.10 -0.35 1.51 1.23 -2.21 0.00 0.00 174.62 174.71 2r8y h GLY 77 N 4.81 0.11 -1.96 6.08 0.00 -1.84 -0.84 103.07 109.43 2r8y h GLY 77 Ca -0.33 -0.16 -0.48 0.00 0.00 0.00 0.00 47.33 46.35 2r8y h GLY 77 CO 0.42 0.15 0.10 0.50 0.00 0.00 0.00 176.54 177.71 2r8y s ARG 78 N -3.46 3.34 -0.09 4.80 0.52 -1.26 -3.66 118.95 119.14 2r8y s ARG 78 Ca -0.02 0.07 -0.00 0.00 -0.52 0.00 0.00 55.73 55.26 2r8y s ARG 78 Cb 0.12 -2.38 0.02 0.00 0.52 0.00 0.00 34.95 33.23 2r8y s ARG 78 CO 0.79 -0.32 -0.06 0.21 0.02 0.00 0.00 175.30 175.94 2r8y s LYS 79 N -4.77 1.29 -0.06 3.54 2.20 -1.26 -1.53 119.74 119.15 2r8y s LYS 79 Ca 0.49 -0.19 -0.15 0.00 -0.36 0.00 0.00 55.97 55.75 2r8y s LYS 79 Cb -0.10 -1.35 0.03 0.00 -1.51 0.00 0.00 37.83 34.90 2r8y s LYS 79 CO 0.44 -0.21 0.36 0.00 -0.36 0.00 0.00 175.35 175.58 2r8y s ALA 80 N 1.50 -0.90 0.38 3.13 0.00 -1.26 -4.98 121.76 119.63 2r8y s ALA 80 Ca 0.00 0.66 0.10 0.00 0.00 0.00 0.00 51.96 52.72 2r8y s ALA 80 Cb -0.13 -0.18 0.76 0.00 0.00 0.00 0.00 23.12 23.56 2r8y s ALA 80 CO -0.05 -0.24 1.88 -0.22 0.00 0.00 0.00 175.76 177.14 2r8y h LYS 81 N 4.41 0.18 -0.43 0.00 1.63 -2.00 -2.87 116.57 117.49 2r8y h LYS 81 Ca -0.28 -0.05 0.04 0.00 -0.85 0.00 0.00 60.65 59.51 2r8y h LYS 81 Cb 1.18 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.76 2r8y h LYS 81 CO 0.35 0.38 0.29 1.37 -3.45 0.00 0.00 179.45 178.39 2r8y h LEU 82 N 0.16 0.37 -0.52 5.20 8.10 -1.96 -1.37 115.31 125.29 2r8y h LEU 82 Ca 0.03 -0.00 -0.14 0.00 0.11 0.00 0.00 57.88 57.88 2r8y h LEU 82 Cb 0.47 -0.08 -0.01 0.00 -0.44 0.00 0.00 40.66 40.59 2r8y h LEU 82 CO 0.03 0.25 -0.29 0.58 -4.11 0.00 0.00 178.44 174.90 2r8y h VAL 83 N 0.42 1.27 -0.59 0.15 2.07 -1.94 0.10 116.25 117.74 2r8y h VAL 83 Ca 0.18 -1.45 0.00 0.00 0.82 0.00 0.00 66.70 66.25 2r8y h VAL 83 Cb 0.18 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 2r8y h VAL 83 CO -0.04 0.49 0.39 -0.33 0.02 0.00 0.00 177.57 178.09 2r8y h GLU 84 N 0.76 0.78 -0.79 1.57 5.08 -1.40 -0.75 114.58 119.82 2r8y h GLU 84 Ca 0.09 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 2r8y h GLU 84 Cb 0.85 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.89 2r8y h GLU 84 CO 0.08 0.52 0.37 -0.44 -1.00 0.00 0.00 179.01 178.53 2r8y h ASP 85 N 0.80 1.04 0.16 1.42 5.19 -0.90 -0.49 116.42 123.64 2r8y h ASP 85 Ca 0.21 -0.13 -0.01 0.00 -0.62 0.00 0.00 57.03 56.49 2r8y h ASP 85 Cb -0.09 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 39.16 2r8y h ASP 85 CO -0.05 0.88 -0.08 -0.09 -3.12 0.00 0.00 179.24 176.79 2r8y h ARG 86 N 1.13 -0.20 -1.00 3.56 9.65 -0.43 -1.54 114.38 125.54 2r8y h ARG 86 Ca 0.27 0.01 0.12 0.00 -1.10 0.00 0.00 59.98 59.29 2r8y h ARG 86 Cb 0.13 0.05 -0.09 0.00 -1.39 0.00 0.00 29.97 28.67 2r8y h ARG 86 CO -0.03 0.01 0.63 0.00 2.80 0.00 0.00 179.97 183.37 2r8y h ALA 88 N 1.54 0.08 -1.01 0.00 0.00 -0.82 0.64 119.26 119.70 2r8y h ALA 88 Ca 0.50 0.02 0.15 0.00 0.00 0.00 0.00 54.91 55.58 2r8y h ALA 88 Cb 0.51 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.23 2r8y h ALA 88 CO -0.27 -0.45 0.62 1.15 0.00 0.00 0.00 179.25 180.30 2r8y h THR 89 N 0.05 0.82 -0.01 0.00 2.02 -0.50 -2.91 112.91 112.37 2r8y h THR 89 Ca 0.04 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.91 2r8y h THR 89 Cb 0.03 -0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.29 2r8y h THR 89 CO -0.05 0.16 -0.59 0.18 0.37 0.00 0.00 175.52 175.59 2r8y n LEU 90 N -4.69 1.24 -0.00 2.58 4.77 -0.84 -4.96 117.00 115.11 2r8y n LEU 90 Ca 0.21 -0.44 -0.00 0.00 -0.03 0.00 0.00 56.01 55.75 2r8y n LEU 90 Cb 0.46 -0.07 -0.00 0.00 -2.33 0.00 0.00 43.42 41.48 2r8y n LEU 90 CO 0.24 0.26 -0.00 0.61 -1.33 0.00 0.00 177.39 177.17 2r8y n GLY 91 N 1.44 0.40 3.69 -0.72 0.00 0.02 -4.74 105.19 105.28 2r8y n GLY 91 Ca 0.08 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.00 4.26 -0.39 -0.61 1.01 -0.05 -4.91 121.20 118.51 2r8y s ILE 92 Ca 0.00 1.59 0.10 0.00 0.00 0.00 0.00 60.65 62.34 2r8y s ILE 92 Cb 0.00 -4.02 -0.11 0.00 0.01 0.00 0.00 42.46 38.34 2r8y s ILE 92 CO 0.00 0.03 0.38 0.35 0.00 0.00 0.00 174.94 175.70 2r8y n THR 93 N 4.42 0.00 -3.76 2.92 -2.24 -1.26 -4.42 114.28 109.94 2r8y n THR 93 Ca 0.10 -0.27 -0.37 0.00 -2.27 0.00 0.00 64.05 61.24 2r8y n THR 93 Cb 0.47 0.90 -0.12 0.00 -2.10 0.00 0.00 70.33 69.48 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 -2.01 3.31 -0.04 4.78 3.76 -1.26 -5.07 115.29 118.76 2r8y s HIS 94 Ca 0.03 -1.63 0.01 0.00 -0.15 0.00 0.00 55.06 53.31 2r8y s HIS 94 Cb 0.07 -2.47 0.02 0.00 1.11 0.00 0.00 32.58 31.32 2r8y s HIS 94 CO 0.39 -0.79 -0.03 -1.17 -0.85 0.00 0.00 174.74 172.30 2r8y s LEU 95 N 1.35 1.29 -0.37 0.89 2.96 -1.26 -1.41 118.68 122.12 2r8y s LEU 95 Ca -0.00 -0.09 0.01 0.00 -0.22 0.00 0.00 54.13 53.82 2r8y s LEU 95 Cb -0.20 -0.36 0.12 0.00 0.50 0.00 0.00 46.19 46.25 2r8y s LEU 95 CO 0.01 -0.07 0.18 -0.31 -1.32 0.00 0.00 176.35 174.84 2r8y s TYR 96 N 0.92 1.72 0.26 5.38 1.51 0.12 -4.97 117.35 122.30 2r8y s TYR 96 Ca -0.11 -2.05 0.06 0.00 -1.01 0.00 0.00 57.07 53.96 2r8y s TYR 96 Cb -0.14 -1.71 -0.03 0.00 -0.11 0.00 0.00 41.96 39.98 2r8y s TYR 96 CO -0.00 -0.83 0.35 -0.65 -1.11 0.00 0.00 175.55 173.31 2r8y s GLN 97 N 0.97 3.26 -0.27 -0.62 -0.21 -1.26 -0.83 119.66 120.70 2r8y s GLN 97 Ca 0.14 -0.88 0.00 0.00 0.02 0.00 0.00 55.36 54.64 2r8y s GLN 97 Cb -0.21 -2.80 0.00 0.00 1.00 0.00 0.00 33.01 30.99 2r8y s GLN 97 CO -0.10 0.34 0.00 0.41 -2.12 0.00 0.00 175.29 173.82 2r8y n GLY 98 N -1.41 0.43 3.49 3.09 0.00 -0.58 -4.92 105.19 105.29 2r8y n GLY 98 Ca -0.07 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.60 3.27 -0.12 1.61 2.00 -0.37 -4.89 119.66 119.56 2r8y s GLN 99 Ca 0.00 -0.80 0.18 0.00 -2.00 0.00 0.00 55.36 52.74 2r8y s GLN 99 Cb 0.00 -3.85 -0.27 0.00 0.80 0.00 0.00 33.01 29.70 2r8y s GLN 99 CO 0.00 -0.56 0.22 0.43 -0.50 0.00 0.00 175.29 174.89 2r8y n SER 100 N 5.11 0.32 -4.43 6.67 7.64 -1.26 -3.04 113.62 124.63 2r8y n SER 100 Ca -0.12 0.00 -0.45 0.00 1.01 0.00 0.00 58.87 59.31 2r8y n SER 100 Cb 0.49 1.37 -0.02 0.00 -1.01 0.00 0.00 64.21 65.03 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 -4.93 6.71 0.35 6.43 2.47 -1.26 -4.89 114.94 119.82 2r8y s ASN 101 Ca -0.09 -2.29 0.27 0.00 0.42 0.00 0.00 52.86 51.18 2r8y s ASN 101 Cb 0.09 -2.36 1.05 0.00 -1.45 0.00 0.00 41.25 38.58 2r8y s ASN 101 CO 0.81 -0.92 1.80 0.11 -3.72 0.00 0.00 177.10 175.17 2r8y h LYS 102 N 8.44 0.00 -0.08 0.43 1.57 -1.85 -2.91 116.57 122.17 2r8y h LYS 102 Ca 0.16 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.87 2r8y h LYS 102 Cb 1.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 2r8y h LYS 102 CO 1.05 0.00 -0.26 -0.07 -0.57 0.00 0.00 179.45 179.60 2r8y h LEU 103 N 0.00 0.14 0.26 2.94 3.38 -1.95 0.14 115.31 120.23 2r8y h LEU 103 Ca 0.00 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2r8y h LEU 103 Cb 0.49 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2r8y h LEU 103 CO 0.00 0.41 -0.13 0.40 0.09 0.00 0.00 178.44 179.21 2r8y h ILE 104 N 0.13 0.75 -0.71 1.22 2.04 -1.94 0.12 117.51 119.12 2r8y h ILE 104 Ca 0.02 -0.06 -0.04 0.00 1.00 0.00 0.00 64.86 65.78 2r8y h ILE 104 Cb 0.54 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 2r8y h ILE 104 CO 0.04 0.01 0.27 0.00 0.00 0.00 0.00 178.15 178.47 2r8y h ALA 105 N 0.35 0.92 0.13 1.87 0.00 -1.66 -0.38 119.26 120.48 2r8y h ALA 105 Ca -0.04 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 2r8y h ALA 105 Cb 0.29 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2r8y h ALA 105 CO 0.06 0.55 -0.09 0.35 0.00 0.00 0.00 179.25 180.12 2r8y h PHE 106 N 1.01 -0.23 0.00 0.00 -0.00 -0.63 0.26 116.94 117.36 2r8y h PHE 106 Ca 0.23 -0.00 -0.04 0.00 -0.00 0.00 0.00 57.97 58.16 2r8y h PHE 106 Cb 0.23 0.08 -0.01 0.00 -0.00 0.00 0.00 35.95 36.26 2r8y h PHE 106 CO 0.02 -0.14 -0.19 0.77 -0.00 0.00 0.00 178.31 178.77 2r8y h SER 107 N -0.22 0.00 -0.17 0.41 0.02 -0.69 -2.07 113.55 110.83 2r8y h SER 107 Ca -0.01 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.80 2r8y h SER 107 Cb 0.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.73 2r8y h SER 107 CO 0.00 0.19 -0.45 -0.78 -1.14 0.00 0.00 176.83 174.65 2r8y h ASP 108 N 0.00 0.69 0.02 3.07 3.58 -0.58 -2.93 116.42 120.27 2r8y h ASP 108 Ca -0.00 -0.58 -0.00 0.00 0.42 0.00 0.00 57.03 56.87 2r8y h ASP 108 Cb 0.35 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.20 2r8y h ASP 108 CO 0.02 1.15 -0.01 -0.07 -2.88 0.00 0.00 179.24 177.46 2r8y h LEU 109 N 0.27 -0.02 -1.23 2.28 3.38 -0.12 -2.08 115.31 117.79 2r8y h LEU 109 Ca -0.01 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 2r8y h LEU 109 Cb 1.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 2r8y h LEU 109 CO 0.10 0.00 -0.26 -0.07 0.09 0.00 0.00 178.44 178.30 2r8y h LEU 110 N -0.04 0.00 -0.22 1.67 3.38 -1.49 0.11 115.31 118.72 2r8y h LEU 110 Ca -0.00 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 2r8y h LEU 110 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2r8y h LEU 110 CO 0.00 0.26 -0.52 -0.33 0.09 0.00 0.00 178.44 177.94 2r8y h GLU 111 N 0.00 0.74 0.00 1.13 4.39 -1.43 -1.78 114.58 117.63 2r8y h GLU 111 Ca -0.00 -0.50 -0.11 0.00 0.34 0.00 0.00 59.36 59.09 2r8y h GLU 111 Cb 0.70 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.41 2r8y h GLU 111 CO 0.03 1.13 -0.52 0.87 -1.16 0.00 0.00 179.01 179.36 2r8y h LYS 112 N 0.47 0.00 -0.00 2.33 1.57 -0.73 -3.27 116.57 116.94 2r8y h LYS 112 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2r8y h LYS 112 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.44 2r8y h LYS 112 CO 0.11 0.52 -0.76 1.28 -0.57 0.00 0.00 179.45 180.03 2r8y n LEU 113 N -3.31 1.14 -3.48 2.94 4.77 0.32 -5.02 117.00 114.36 2r8y n LEU 113 Ca 0.01 -0.57 -0.20 0.00 -0.03 0.00 0.00 56.01 55.23 2r8y n LEU 113 Cb 0.70 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.82 2r8y n LEU 113 CO 0.40 0.25 0.02 0.00 -1.33 0.00 0.00 177.39 176.74 2r8y n ALA 114 N -1.08 -2.58 -2.95 -1.18 0.00 -0.69 -5.02 120.51 107.01 2r8y n ALA 114 Ca 0.05 -0.14 -0.15 0.00 0.00 0.00 0.00 53.44 53.21 2r8y n ALA 114 Cb 0.32 -3.05 -0.15 0.00 0.00 0.00 0.00 19.45 16.58 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 -3.25 0.22 0.36 0.00 2.07 -1.09 -5.07 121.20 114.43 2r8y s ILE 115 Ca 0.27 -0.09 -0.26 0.00 -1.41 0.00 0.00 60.65 59.16 2r8y s ILE 115 Cb -0.08 -0.21 -0.09 0.00 0.13 0.00 0.00 42.46 42.21 2r8y s ILE 115 CO 0.82 0.08 1.08 0.00 -1.91 0.00 0.00 174.94 175.00 2r8y s ALA 116 N 0.10 3.19 0.39 1.50 0.00 -1.26 -4.80 121.76 120.89 2r8y s ALA 116 Ca -0.01 0.79 0.15 0.00 0.00 0.00 0.00 51.96 52.89 2r8y s ALA 116 Cb -0.03 -3.30 0.99 0.00 0.00 0.00 0.00 23.12 20.78 2r8y s ALA 116 CO -0.00 -0.23 1.84 -1.35 0.00 0.00 0.00 175.76 176.02 2r8y h PRO 117 N 2.94 0.49 0.00 0.00 0.11 -1.97 -1.54 132.00 132.03 2r8y h PRO 117 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2r8y h PRO 117 Cb 1.22 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2r8y h PRO 117 CO 0.64 0.32 0.00 -0.85 -0.21 0.00 0.00 178.00 177.90 2r8y n GLU 118 N -4.56 0.17 -0.38 1.05 0.00 -1.26 -1.46 120.64 114.19 2r8y n GLU 118 Ca 0.20 0.42 0.07 0.00 0.00 0.00 0.00 57.16 57.85 2r8y n GLU 118 Cb 0.66 -1.83 0.25 0.00 0.00 0.00 0.00 31.44 30.51 2r8y n GLU 118 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2r8y n ASN 119 N -2.14 3.25 -4.38 -1.84 3.02 -0.58 -4.04 115.26 108.54 2r8y n ASN 119 Ca 0.02 -2.21 -0.32 0.00 -0.03 0.00 0.00 54.58 52.04 2r8y n ASN 119 Cb 0.21 -0.44 -0.14 0.00 -0.61 0.00 0.00 39.78 38.80 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 -1.60 2.81 0.03 2.41 1.01 -0.58 0.31 120.40 124.78 2r8y s VAL 120 Ca 0.36 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.58 2r8y s VAL 120 Cb 0.21 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 2r8y s VAL 120 CO 0.19 0.56 -0.02 0.00 0.00 0.00 0.00 175.10 175.84 2r8y s ALA 121 N -0.16 3.21 -0.06 5.51 0.00 -0.21 -0.90 121.76 129.15 2r8y s ALA 121 Ca -0.01 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 50.94 2r8y s ALA 121 Cb -0.14 -1.24 0.02 0.00 0.00 0.00 0.00 23.12 21.77 2r8y s ALA 121 CO 0.03 0.65 -0.06 -0.47 0.00 0.00 0.00 175.76 175.92 2r8y s TYR 122 N -1.13 0.95 -0.26 0.00 5.04 -0.33 -0.25 117.35 121.38 2r8y s TYR 122 Ca 0.21 -0.31 -0.06 0.00 -2.44 0.00 0.00 57.07 54.46 2r8y s TYR 122 Cb -0.11 -0.80 -0.01 0.00 0.35 0.00 0.00 41.96 41.38 2r8y s TYR 122 CO 0.12 -0.24 0.05 0.08 -1.34 0.00 0.00 175.55 174.21 2r8y s VAL 123 N 1.00 3.95 0.33 3.14 1.01 -0.64 0.53 120.40 129.71 2r8y s VAL 123 Ca -0.09 -0.44 0.03 0.00 0.00 0.00 0.00 61.98 61.48 2r8y s VAL 123 Cb -0.14 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 2r8y s VAL 123 CO -0.00 0.27 0.13 -0.83 0.00 0.00 0.00 175.10 174.67 2r8y s GLY 124 N 1.54 2.17 0.00 4.51 0.00 0.01 -2.33 107.32 113.22 2r8y s GLY 124 Ca 0.05 -1.69 0.00 0.00 0.00 0.00 0.00 44.72 43.08 2r8y s GLY 124 CO 0.01 -1.69 0.00 2.09 0.00 0.00 0.00 173.10 173.52 2r8y n ASP 125 N -0.94 0.00 -4.15 1.64 3.85 -1.26 -2.33 116.55 113.36 2r8y n ASP 125 Ca -0.01 -0.36 -0.19 0.00 -0.71 0.00 0.00 54.79 53.51 2r8y n ASP 125 Cb 0.65 0.00 -0.09 0.00 -1.35 0.00 0.00 41.12 40.33 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 1.70 0.60 -1.12 -1.08 -1.26 -0.20 116.67 115.31 2r8y s ASP 126 Ca 0.00 -1.51 0.39 0.00 -0.52 0.00 0.00 52.55 50.91 2r8y s ASP 126 Cb 0.00 0.29 1.85 0.00 -1.46 0.00 0.00 42.92 43.60 2r8y s ASP 126 CO 0.00 -0.82 2.16 -0.07 0.52 0.00 0.00 175.17 176.96 2r8y h LEU 127 N 2.19 0.00 -0.93 -1.34 3.38 -1.97 -1.68 115.31 114.97 2r8y h LEU 127 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 2r8y h LEU 127 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2r8y h LEU 127 CO 0.57 0.00 0.00 -0.29 0.09 0.00 0.00 178.44 178.81 2r8y h ILE 128 N 0.00 0.00 0.00 1.22 6.09 -1.96 -3.06 117.51 119.80 2r8y h ILE 128 Ca 0.00 -0.30 -0.08 0.00 -1.37 0.00 0.00 64.86 63.11 2r8y h ILE 128 Cb 0.28 1.10 -0.01 0.00 0.47 0.00 0.00 36.82 38.66 2r8y h ILE 128 CO 0.00 0.00 -1.19 0.44 -3.07 0.00 0.00 178.15 174.33 2r8y h ASP 129 N 0.00 0.00 -0.46 2.19 3.32 -1.69 -3.41 116.42 116.37 2r8y h ASP 129 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 2r8y h ASP 129 Cb 0.40 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 2r8y h ASP 129 CO 0.00 0.27 0.27 -0.25 -1.72 0.00 0.00 179.24 177.81 2r8y h TRP 130 N 0.00 0.61 -0.87 4.55 2.91 -1.65 -1.46 115.95 120.05 2r8y h TRP 130 Ca -0.08 -0.01 0.23 0.00 1.13 0.00 0.00 58.89 60.16 2r8y h TRP 130 Cb 1.28 -0.20 -0.14 0.00 -0.51 0.00 0.00 29.16 29.59 2r8y h TRP 130 CO 0.00 0.44 0.22 -1.35 -1.03 0.00 0.00 178.44 176.71 2r8y h PRO 131 N 0.61 0.20 -0.06 2.65 0.11 -1.79 0.52 132.00 134.24 2r8y h PRO 131 Ca 0.16 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 66.13 2r8y h PRO 131 Cb 0.01 -0.04 0.01 0.00 0.11 0.00 0.00 31.00 31.08 2r8y h PRO 131 CO -0.03 0.13 -0.46 0.28 -0.21 0.00 0.00 178.00 177.71 2r8y h VAL 132 N 0.20 1.41 -0.76 3.15 2.07 -1.83 -3.27 116.25 117.22 2r8y h VAL 132 Ca 0.54 -1.88 0.09 0.00 0.82 0.00 0.00 66.70 66.27 2r8y h VAL 132 Cb 1.07 2.39 -0.05 0.00 -1.52 0.00 0.00 31.29 33.17 2r8y h VAL 132 CO -0.65 0.55 0.50 0.24 0.02 0.00 0.00 177.57 178.23 2r8y h MET 133 N -0.07 0.70 -0.02 1.57 2.86 -0.10 -2.13 114.93 117.75 2r8y h MET 133 Ca -0.04 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.56 2r8y h MET 133 Cb 1.13 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 32.63 2r8y h MET 133 CO 0.09 0.46 0.02 1.49 1.06 0.00 0.00 176.91 180.03 2r8y h GLU 134 N 0.72 0.00 0.00 1.72 4.81 -0.07 -3.13 114.58 118.63 2r8y h GLU 134 Ca 0.34 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.57 2r8y h GLU 134 Cb 0.39 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.77 2r8y h GLU 134 CO -0.13 0.00 -1.78 1.63 -0.73 0.00 0.00 179.01 178.00 2r8y n LYS 135 N -4.18 0.52 -1.98 1.92 5.02 -0.81 -5.00 118.16 113.65 2r8y n LYS 135 Ca -0.03 -0.16 -0.29 0.00 -2.02 0.00 0.00 58.31 55.82 2r8y n LYS 135 Cb 0.11 -1.52 0.07 0.00 -0.02 0.00 0.00 35.03 33.67 2r8y n LYS 135 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2r8y s VAL 136 N -3.41 2.64 0.12 -0.18 -7.23 -1.16 -4.52 120.40 106.65 2r8y s VAL 136 Ca -0.05 0.11 -0.13 0.00 -1.81 0.00 0.00 61.98 60.10 2r8y s VAL 136 Cb 0.14 -3.19 -0.09 0.00 0.56 0.00 0.00 36.38 33.81 2r8y s VAL 136 CO 0.90 -0.23 1.41 1.23 -0.31 0.00 0.00 175.10 178.10 2r8y h GLY 137 N -0.79 0.90 -7.16 2.32 0.00 0.13 -3.42 103.07 95.06 2r8y h GLY 137 Ca -0.45 -1.01 -0.57 0.00 0.00 0.00 0.00 47.33 45.30 2r8y h GLY 137 CO 0.64 0.91 -0.76 -2.27 0.00 0.00 0.00 176.54 175.06 2r8y s LEU 138 N -8.79 1.90 -0.04 3.11 2.96 -0.89 -4.93 118.68 112.00 2r8y s LEU 138 Ca -0.11 -1.44 -0.22 0.00 -0.22 0.00 0.00 54.13 52.14 2r8y s LEU 138 Cb 0.10 -0.78 -0.04 0.00 0.50 0.00 0.00 46.19 45.96 2r8y s LEU 138 CO 0.87 -0.39 0.64 -0.94 -1.32 0.00 0.00 176.35 175.21 2r8y s SER 139 N 1.70 6.96 -0.06 3.68 1.04 -1.26 -1.18 113.70 124.58 2r8y s SER 139 Ca 0.07 1.15 0.04 0.00 0.48 0.00 0.00 55.95 57.70 2r8y s SER 139 Cb -0.17 -2.39 -0.00 0.00 0.10 0.00 0.00 66.02 63.56 2r8y s SER 139 CO -0.23 -0.02 -0.19 -0.69 0.98 0.00 0.00 173.24 173.10 2r8y s VAL 140 N 0.37 1.60 -0.12 5.02 1.01 0.19 -1.30 120.40 127.17 2r8y s VAL 140 Ca 0.34 -0.79 -0.02 0.00 0.00 0.00 0.00 61.98 61.50 2r8y s VAL 140 Cb -0.18 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 2r8y s VAL 140 CO 0.17 0.46 -0.02 0.00 0.00 0.00 0.00 175.10 175.70 2r8y s ALA 141 N 0.16 3.12 0.80 5.51 0.00 -0.32 -0.81 121.76 130.22 2r8y s ALA 141 Ca -0.08 -0.82 -0.11 0.00 0.00 0.00 0.00 51.96 50.95 2r8y s ALA 141 Cb -0.14 -1.50 0.07 0.00 0.00 0.00 0.00 23.12 21.56 2r8y s ALA 141 CO 0.04 0.40 1.09 0.14 0.00 0.00 0.00 175.76 177.43 2r8y s VAL 142 N -0.27 3.21 0.24 0.00 -7.23 -0.98 -1.60 120.40 113.77 2r8y s VAL 142 Ca 0.05 0.39 -0.07 0.00 -1.81 0.00 0.00 61.98 60.54 2r8y s VAL 142 Cb -0.12 -2.90 0.26 0.00 0.56 0.00 0.00 36.38 34.18 2r8y s VAL 142 CO 0.02 -0.51 1.64 0.00 -0.31 0.00 0.00 175.10 175.94 2r8y h ALA 143 N -1.20 0.77 -0.72 1.32 0.00 -1.53 -2.04 119.26 115.86 2r8y h ALA 143 Ca -0.45 0.22 -0.43 0.00 0.00 0.00 0.00 54.91 54.26 2r8y h ALA 143 Cb 1.24 0.38 -0.25 0.00 0.00 0.00 0.00 17.79 19.17 2r8y h ALA 143 CO 0.52 -0.41 0.21 -0.40 0.00 0.00 0.00 179.25 179.18 2r8y n ASP 144 N -5.31 4.28 -4.62 0.00 5.75 -1.26 -4.99 116.55 110.40 2r8y n ASP 144 Ca 0.13 -3.74 -0.29 0.00 -0.01 0.00 0.00 54.79 50.87 2r8y n ASP 144 Cb 0.45 -0.72 0.19 0.00 -1.03 0.00 0.00 41.12 40.01 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 -3.44 0.74 0.13 2.12 0.00 -0.77 -4.93 121.76 115.61 2r8y s ALA 145 Ca 0.53 0.06 -0.35 0.00 0.00 0.00 0.00 51.96 52.20 2r8y s ALA 145 Cb 0.45 -3.27 -0.16 0.00 0.00 0.00 0.00 23.12 20.14 2r8y s ALA 145 CO 0.03 -3.04 1.39 1.58 0.00 0.00 0.00 175.76 175.72 2r8y n HIS 146 N -4.38 1.75 -0.25 0.00 -0.00 0.71 -4.83 115.22 108.23 2r8y n HIS 146 Ca 0.07 0.52 0.28 0.00 0.46 0.00 0.00 57.72 59.05 2r8y n HIS 146 Cb 0.54 -2.39 0.67 0.00 -0.12 0.00 0.00 29.99 28.68 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 4.76 0.12 0.00 1.57 0.11 -1.91 0.78 132.00 137.43 2r8y h PRO 147 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2r8y h PRO 147 Cb 1.31 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2r8y h PRO 147 CO 0.80 0.08 0.00 1.28 -0.21 0.00 0.00 178.00 179.94 2r8y n LEU 148 N -4.34 0.81 0.07 2.35 4.77 -1.26 -3.56 117.00 115.85 2r8y n LEU 148 Ca 0.21 0.58 -0.23 0.00 -0.03 0.00 0.00 56.01 56.55 2r8y n LEU 148 Cb 0.98 -0.33 -0.15 0.00 -2.33 0.00 0.00 43.42 41.59 2r8y n LEU 148 CO 0.36 -0.20 -0.50 0.25 -1.33 0.00 0.00 177.39 175.98 2r8y h LEU 149 N 0.00 0.60 -0.68 2.23 5.85 -1.20 -3.42 115.31 118.70 2r8y h LEU 149 Ca 0.00 -0.93 0.15 0.00 0.84 0.00 0.00 57.88 57.94 2r8y h LEU 149 Cb 0.72 -0.20 -0.11 0.00 0.37 0.00 0.00 40.66 41.44 2r8y h LEU 149 CO 0.00 1.76 0.03 0.40 -0.34 0.00 0.00 178.44 180.29 2r8y h ILE 150 N 0.04 0.45 0.00 4.05 2.04 -1.54 -0.47 117.51 122.08 2r8y h ILE 150 Ca -0.33 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.48 2r8y h ILE 150 Cb 2.05 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 38.43 2r8y h ILE 150 CO 0.17 0.03 0.00 -2.65 0.00 0.00 0.00 178.15 175.69 2r8y n PRO 151 N -5.28 0.11 0.04 2.37 -0.02 -1.26 -3.05 135.00 127.91 2r8y n PRO 151 Ca 0.11 0.33 -0.08 0.00 -2.02 0.00 0.00 63.50 61.85 2r8y n PRO 151 Cb 0.41 -1.71 -0.13 0.00 -0.02 0.00 0.00 33.50 32.05 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 0.02 -7.11 -0.52 3.08 -1.33 -3.47 114.38 105.05 2r8y h ARG 152 Ca 0.00 -0.03 -0.48 0.00 0.07 0.00 0.00 59.98 59.54 2r8y h ARG 152 Cb 0.33 0.01 0.03 0.00 0.08 0.00 0.00 29.97 30.43 2r8y h ARG 152 CO 0.00 0.87 0.38 0.00 -1.07 0.00 0.00 179.97 180.15 2r8y s ALA 153 N -2.67 2.85 0.26 0.04 0.00 -1.17 -4.96 121.76 116.10 2r8y s ALA 153 Ca -0.01 0.54 -0.02 0.00 0.00 0.00 0.00 51.96 52.47 2r8y s ALA 153 Cb 0.09 -3.24 0.35 0.00 0.00 0.00 0.00 23.12 20.32 2r8y s ALA 153 CO 0.82 -0.43 1.77 -0.44 0.00 0.00 0.00 175.76 177.49 2r8y h ASP 154 N 1.27 0.75 -3.88 0.00 3.45 -1.54 -3.44 116.42 113.02 2r8y h ASP 154 Ca -0.49 -0.18 -0.28 0.00 0.43 0.00 0.00 57.03 56.51 2r8y h ASP 154 Cb 1.22 -0.20 -0.28 0.00 -0.56 0.00 0.00 39.33 39.51 2r8y h ASP 154 CO 0.59 0.81 -0.74 -0.47 -1.57 0.00 0.00 179.24 177.86 2r8y s TYR 155 N -5.00 0.29 -0.17 4.55 5.04 -0.88 -4.93 117.35 116.25 2r8y s TYR 155 Ca -0.09 -0.07 0.00 0.00 -2.44 0.00 0.00 57.07 54.47 2r8y s TYR 155 Cb 0.15 -0.19 0.00 0.00 0.35 0.00 0.00 41.96 42.28 2r8y s TYR 155 CO 0.81 -0.01 -0.16 0.08 -1.34 0.00 0.00 175.55 174.93 2r8y s VAL 156 N -0.13 2.54 0.62 3.14 1.01 -1.26 -1.17 120.40 125.15 2r8y s VAL 156 Ca 0.01 -0.80 -0.17 0.00 0.00 0.00 0.00 61.98 61.02 2r8y s VAL 156 Cb -0.02 -2.08 -0.02 0.00 0.00 0.00 0.00 36.38 34.27 2r8y s VAL 156 CO -0.00 0.51 1.15 0.42 0.00 0.00 0.00 175.10 177.18 2r8y s THR 157 N 1.02 2.96 0.16 3.92 -4.23 -0.63 -4.90 115.64 113.95 2r8y s THR 157 Ca -0.01 0.52 0.01 0.00 -1.18 0.00 0.00 61.69 61.03 2r8y s THR 157 Cb -0.15 -3.12 -0.15 0.00 1.34 0.00 0.00 72.50 70.43 2r8y s THR 157 CO -0.04 -0.20 1.37 0.03 -0.54 0.00 0.00 174.62 175.25 2r8y h ARG 158 N 0.52 0.25 -6.07 3.99 -0.00 -1.92 -3.17 114.38 107.97 2r8y h ARG 158 Ca -0.49 -0.26 -0.60 0.00 -0.50 0.00 0.00 59.98 58.13 2r8y h ARG 158 Cb 1.27 0.07 -0.05 0.00 0.00 0.00 0.00 29.97 31.26 2r8y h ARG 158 CO 0.55 0.97 -0.21 0.42 0.00 0.00 0.00 179.97 181.70 2r8y s ILE 159 N -3.27 5.03 0.77 2.04 -1.09 -1.26 -4.80 121.20 118.63 2r8y s ILE 159 Ca -0.04 0.71 -0.11 0.00 -2.23 0.00 0.00 60.65 58.99 2r8y s ILE 159 Cb 0.10 -3.69 0.06 0.00 -1.58 0.00 0.00 42.46 37.34 2r8y s ILE 159 CO 0.83 0.45 1.08 0.00 -1.23 0.00 0.00 174.94 176.08 2r8y s ALA 160 N -1.22 2.26 0.17 9.38 0.00 -1.26 -3.27 121.76 127.82 2r8y s ALA 160 Ca 0.28 0.13 -0.34 0.00 0.00 0.00 0.00 51.96 52.04 2r8y s ALA 160 Cb -0.16 -3.22 -0.14 0.00 0.00 0.00 0.00 23.12 19.60 2r8y s ALA 160 CO 0.15 -1.71 1.53 0.41 0.00 0.00 0.00 175.76 176.14 2r8y n GLY 161 N -1.48 1.01 3.05 0.00 0.00 -1.26 -1.87 105.19 104.64 2r8y n GLY 161 Ca 0.08 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.73 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 3.11 1.26 0.09 -0.02 0.00 -0.47 -3.62 105.19 105.55 2r8y n GLY 162 Ca 0.16 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 -0.96 0.00 0.00 0.00 173.32 172.36 2r8y n ARG 163 N -2.00 3.03 0.00 1.61 1.85 -0.78 -4.53 116.66 115.84 2r8y n ARG 163 Ca 0.00 -0.24 0.00 0.00 -1.00 0.00 0.00 57.85 56.61 2r8y n ARG 163 Cb 0.00 -1.03 0.00 0.00 -1.05 0.00 0.00 32.46 30.38 2r8y n ARG 163 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2r8y n GLY 164 N 1.11 -0.46 0.36 2.89 0.00 -1.22 -4.88 105.19 103.00 2r8y n GLY 164 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.03 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 1.24 -0.20 4.61 0.00 -1.72 -0.62 119.26 122.56 2r8y h ALA 165 Ca 0.00 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 2r8y h ALA 165 Cb 0.00 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.40 2r8y h ALA 165 CO 0.00 0.60 -0.12 0.28 0.00 0.00 0.00 179.25 180.01 2r8y h VAL 166 N 1.29 1.31 -0.54 0.00 2.07 -1.89 -2.28 116.25 116.21 2r8y h VAL 166 Ca 0.36 -1.21 0.10 0.00 0.82 0.00 0.00 66.70 66.77 2r8y h VAL 166 Cb -0.12 1.67 -0.08 0.00 -1.52 0.00 0.00 31.29 31.24 2r8y h VAL 166 CO -0.09 0.37 0.09 -0.09 0.02 0.00 0.00 177.57 177.87 2r8y h ARG 167 N 0.13 0.22 -0.49 1.57 9.65 -1.76 0.14 114.38 123.84 2r8y h ARG 167 Ca 0.04 -0.01 0.09 0.00 -1.10 0.00 0.00 59.98 59.00 2r8y h ARG 167 Cb 0.62 -0.05 -0.07 0.00 -1.39 0.00 0.00 29.97 29.08 2r8y h ARG 167 CO 0.03 0.14 0.05 1.49 2.80 0.00 0.00 179.97 184.49 2r8y h GLU 168 N 0.22 0.17 -0.65 0.20 4.81 -1.03 0.32 114.58 118.62 2r8y h GLU 168 Ca 0.28 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.43 2r8y h GLU 168 Cb 0.40 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.72 2r8y h GLU 168 CO -0.38 0.11 0.13 0.28 -0.73 0.00 0.00 179.01 178.42 2r8y h VAL 169 N 0.18 1.26 -0.16 0.32 2.07 -0.75 -0.74 116.25 118.42 2r8y h VAL 169 Ca 0.25 -0.98 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 2r8y h VAL 169 Cb 0.35 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 2r8y h VAL 169 CO -0.36 0.37 0.07 0.00 0.02 0.00 0.00 177.57 177.67 2r8y h ASP 171 N 0.11 0.86 0.17 0.00 3.45 -0.22 -1.87 116.42 118.92 2r8y h ASP 171 Ca 0.05 0.04 -0.01 0.00 0.43 0.00 0.00 57.03 57.54 2r8y h ASP 171 Cb 0.16 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 38.80 2r8y h ASP 171 CO -0.00 0.49 -0.08 0.25 -1.57 0.00 0.00 179.24 178.33 2r8y h LEU 172 N 0.96 -0.19 -0.76 1.55 5.85 -0.73 0.18 115.31 122.16 2r8y h LEU 172 Ca 0.44 -0.15 0.04 0.00 0.84 0.00 0.00 57.88 59.05 2r8y h LEU 172 Cb 0.35 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 2r8y h LEU 172 CO -0.23 0.04 0.47 -0.07 -0.34 0.00 0.00 178.44 178.31 2r8y h LEU 173 N -0.43 0.76 0.08 2.25 3.38 -1.02 -1.44 115.31 118.88 2r8y h LEU 173 Ca -0.02 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2r8y h LEU 173 Cb 0.34 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2r8y h LEU 173 CO 0.04 0.51 -0.04 -0.07 0.09 0.00 0.00 178.44 178.98 2r8y h LEU 174 N 0.90 -0.09 -0.48 1.67 3.38 -1.27 -1.84 115.31 117.58 2r8y h LEU 174 Ca 0.31 -0.24 0.07 0.00 0.09 0.00 0.00 57.88 58.12 2r8y h LEU 174 Cb 0.07 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 2r8y h LEU 174 CO -0.13 0.20 0.13 0.25 0.09 0.00 0.00 178.44 178.98 2r8y h LEU 175 N -0.37 0.08 -1.55 1.67 5.85 -0.83 0.84 115.31 120.99 2r8y h LEU 175 Ca -0.01 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 2r8y h LEU 175 Cb 0.32 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 2r8y h LEU 175 CO 0.02 0.07 0.18 0.00 -0.34 0.00 0.00 178.44 178.37 2r8y h ALA 176 N 1.35 1.66 -0.42 1.25 0.00 -1.23 -1.39 119.26 120.47 2r8y h ALA 176 Ca 0.24 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2r8y h ALA 176 Cb 0.29 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2r8y h ALA 176 CO -0.28 0.29 0.00 1.04 0.00 0.00 0.00 179.25 180.30 2r8y n GLN 177 N -4.43 2.20 -3.44 0.00 6.02 -0.61 -4.66 117.38 112.45 2r8y n GLN 177 Ca 0.02 -1.83 -0.23 0.00 -0.01 0.00 0.00 57.00 54.94 2r8y n GLN 177 Cb 0.10 -1.43 0.07 0.00 1.02 0.00 0.00 30.24 30.00 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 1.34 -0.53 0.00 1.08 0.00 0.09 -4.90 105.19 102.27 2r8y n GLY 178 Ca 0.18 0.22 0.01 0.00 0.00 0.00 0.00 46.02 46.43 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 -4.73 5.19 -0.21 1.61 5.02 -0.07 -4.80 118.16 120.17 2r8y n LYS 179 Ca -0.02 -0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.27 2r8y n LYS 179 Cb 0.58 -0.68 0.12 0.00 -0.02 0.00 0.00 35.03 35.03 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 0.00 0.14 -1.71 -0.35 5.85 -1.86 0.20 115.31 117.59 2r8y h LEU 180 Ca 0.00 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 2r8y h LEU 180 Cb 0.06 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2r8y h LEU 180 CO 0.00 0.08 0.02 0.44 -0.34 0.00 0.00 178.44 178.64 2r8y h ASP 181 N 0.35 0.18 0.00 1.25 5.19 -1.92 -3.14 116.42 118.34 2r8y h ASP 181 Ca 0.33 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.72 2r8y h ASP 181 Cb 0.46 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.92 2r8y h ASP 181 CO -0.36 0.20 -1.51 -0.62 -3.12 0.00 0.00 179.24 173.83 2r8y n GLU 182 N -4.44 0.64 -1.66 3.56 -0.58 -0.38 -5.02 120.64 112.77 2r8y n GLU 182 Ca -0.01 -0.11 -0.40 0.00 -0.42 0.00 0.00 57.16 56.22 2r8y n GLU 182 Cb 0.14 -1.44 0.03 0.00 -0.57 0.00 0.00 31.44 29.59 2r8y n GLU 182 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2r8y n ALA 183 N -1.90 0.70 -2.58 0.62 0.00 0.58 -5.02 120.51 112.90 2r8y n ALA 183 Ca -0.01 0.17 -0.22 0.00 0.00 0.00 0.00 53.44 53.39 2r8y n ALA 183 Cb 0.43 -2.18 -0.15 0.00 0.00 0.00 0.00 19.45 17.55 2r8y n ALA 183 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2r8y s LYS 184 N -2.36 1.11 0.35 0.00 -0.14 -1.26 -5.04 119.74 112.40 2r8y s LYS 184 Ca 0.66 -0.57 -0.15 0.00 -1.36 0.00 0.00 55.97 54.56 2r8y s LYS 184 Cb -0.49 -1.08 0.04 0.00 -1.68 0.00 0.00 37.83 34.62 2r8y s LYS 184 CO 0.54 0.29 0.72 0.20 -0.76 0.00 0.00 175.35 176.34 2r8y s GLY 185 N -0.52 0.45 -0.07 -3.33 0.00 -1.26 -3.56 107.32 99.03 2r8y s GLY 185 Ca 0.05 -0.79 0.05 0.00 0.00 0.00 0.00 44.72 44.04 2r8y s GLY 185 CO -0.00 -0.38 -0.25 1.20 0.00 0.00 0.00 173.10 173.67 2r8y s GLN 186 N -2.78 2.72 -1.22 2.90 1.11 -1.26 -5.01 119.66 116.13 2r8y s GLN 186 Ca 0.17 -0.89 -0.18 0.00 0.01 0.00 0.00 55.36 54.46 2r8y s GLN 186 Cb -0.04 -2.20 0.08 0.00 -1.01 0.00 0.00 33.01 29.83 2r8y s GLN 186 CO 0.12 0.31 1.62 0.45 0.01 0.00 0.00 175.29 177.79 2r8y s SER 187 N 0.02 6.79 0.00 5.90 0.15 -1.26 -3.17 113.70 122.13 2r8y s SER 187 Ca -0.09 -2.31 0.00 0.00 0.70 0.00 0.00 55.95 54.25 2r8y s SER 187 Cb -0.15 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 2r8y s SER 187 CO 0.06 -1.18 0.15 2.30 1.20 0.00 0.00 173.24 175.76