#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ru8 n LEU 4 N 0.00 0.00 -0.02 0.99 7.94 -1.26 -4.53 117.00 120.12 1ru8 n LEU 4 Ca 0.00 0.00 0.02 0.00 -1.11 0.00 0.00 56.01 54.92 1ru8 n LEU 4 Cb 0.00 -0.26 0.03 0.00 0.53 0.00 0.00 43.42 43.71 1ru8 n LEU 4 CO 0.00 0.00 0.50 0.00 -1.11 0.00 0.00 177.39 176.78 1ru8 n ALA 5 N 0.61 2.02 -2.60 1.96 0.00 -1.26 -4.91 120.51 116.33 1ru8 n ALA 5 Ca 0.00 -1.29 -0.43 0.00 0.00 0.00 0.00 53.44 51.72 1ru8 n ALA 5 Cb 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 19.45 19.35 1ru8 n ALA 5 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ru8 s ASP 6 N -1.32 7.07 0.26 0.00 1.11 -1.26 0.18 116.67 122.71 1ru8 s ASP 6 Ca 0.06 1.48 0.01 0.00 0.18 0.00 0.00 52.55 54.29 1ru8 s ASP 6 Cb 0.05 -2.54 -0.04 0.00 1.07 0.00 0.00 42.92 41.46 1ru8 s ASP 6 CO 0.01 -0.68 0.12 0.68 1.18 0.00 0.00 175.17 176.49 1ru8 s VAL 7 N 3.16 0.36 -0.11 -1.27 -7.23 0.01 -0.65 120.40 114.67 1ru8 s VAL 7 Ca 0.47 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.65 1ru8 s VAL 7 Cb -0.17 -2.57 0.02 0.00 0.56 0.00 0.00 36.38 34.22 1ru8 s VAL 7 CO 0.10 0.00 -0.13 0.00 -0.31 0.00 0.00 175.10 174.75 1ru8 s ALA 8 N -3.79 1.61 -0.22 1.32 0.00 -0.93 -1.10 121.76 118.64 1ru8 s ALA 8 Ca 0.37 -0.69 -0.16 0.00 0.00 0.00 0.00 51.96 51.48 1ru8 s ALA 8 Cb 0.07 -0.86 -0.04 0.00 0.00 0.00 0.00 23.12 22.29 1ru8 s ALA 8 CO 0.15 -0.18 0.42 0.08 0.00 0.00 0.00 175.76 176.23 1ru8 s VAL 9 N 1.18 5.16 -0.23 0.00 1.01 -0.30 -1.27 120.40 125.97 1ru8 s VAL 9 Ca -0.03 0.73 -0.29 0.00 0.00 0.00 0.00 61.98 62.39 1ru8 s VAL 9 Cb -0.14 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 1ru8 s VAL 9 CO -0.04 0.20 1.77 -0.76 0.00 0.00 0.00 175.10 176.27 1ru8 s LEU 10 N 1.65 3.78 -0.29 3.92 1.43 0.43 -0.67 118.68 128.94 1ru8 s LEU 10 Ca 0.19 1.66 -0.05 0.00 -1.03 0.00 0.00 54.13 54.90 1ru8 s LEU 10 Cb -0.15 -3.53 0.02 0.00 0.03 0.00 0.00 46.19 42.56 1ru8 s LEU 10 CO 0.09 -1.45 0.05 -0.47 0.23 0.00 0.00 176.35 174.80 1ru8 s TYR 11 N 5.96 3.14 -0.67 0.29 5.04 0.31 -4.46 117.35 126.96 1ru8 s TYR 11 Ca 0.79 -1.16 0.13 0.00 -2.44 0.00 0.00 57.07 54.38 1ru8 s TYR 11 Cb -0.27 -2.20 -0.12 0.00 0.35 0.00 0.00 41.96 39.71 1ru8 s TYR 11 CO 0.32 -0.63 0.57 -1.13 -1.34 0.00 0.00 175.55 173.34 1ru8 n SER 12 N 4.81 0.69 0.00 4.32 3.41 -1.26 -4.24 113.62 121.35 1ru8 n SER 12 Ca -0.15 -0.85 0.00 0.00 -0.26 0.00 0.00 58.87 57.61 1ru8 n SER 12 Cb 0.47 0.94 0.00 0.00 -0.26 0.00 0.00 64.21 65.37 1ru8 n SER 12 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ru8 n GLY 13 N 1.27 2.25 0.00 5.00 0.00 -1.26 -4.89 105.19 107.56 1ru8 n GLY 13 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1ru8 n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ru8 n GLY 14 N -2.00 -0.31 0.21 -0.02 0.00 -1.24 -2.19 105.19 99.64 1ru8 n GLY 14 Ca 0.00 -1.79 -0.09 0.00 0.00 0.00 0.00 46.02 44.15 1ru8 n GLY 14 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1ru8 h LYS 15 N 0.00 0.66 -0.31 1.61 2.10 -1.93 -2.23 116.57 116.48 1ru8 h LYS 15 Ca 0.00 -0.12 0.02 0.00 -2.00 0.00 0.00 60.65 58.56 1ru8 h LYS 15 Cb 0.00 -0.11 -0.03 0.00 -0.90 0.00 0.00 32.23 31.20 1ru8 h LYS 15 CO 0.00 0.60 0.15 -0.44 -2.00 0.00 0.00 179.45 177.75 1ru8 h ASP 16 N 0.57 0.21 -0.15 7.07 3.45 -1.94 0.20 116.42 125.83 1ru8 h ASP 16 Ca 0.15 0.02 -0.01 0.00 0.43 0.00 0.00 57.03 57.62 1ru8 h ASP 16 Cb 0.18 -0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 38.92 1ru8 h ASP 16 CO -0.01 0.16 0.07 0.28 -1.57 0.00 0.00 179.24 178.17 1ru8 h SER 17 N 0.31 0.20 0.43 6.45 0.02 -1.84 0.70 113.55 119.82 1ru8 h SER 17 Ca 0.13 -0.13 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 1ru8 h SER 17 Cb 0.05 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1ru8 h SER 17 CO -0.09 0.28 -0.28 0.78 -1.14 0.00 0.00 176.83 176.37 1ru8 h ASN 18 N 0.11 0.00 -0.06 3.07 4.21 -1.20 -1.44 115.58 120.26 1ru8 h ASN 18 Ca 0.05 0.00 -0.09 0.00 1.21 0.00 0.00 56.30 57.47 1ru8 h ASN 18 Cb 0.13 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.34 1ru8 h ASN 18 CO -0.01 0.28 -0.31 0.22 -1.29 0.00 0.00 177.43 176.32 1ru8 h TYR 19 N 0.00 0.44 -0.95 1.19 5.03 -0.31 -1.51 116.97 120.86 1ru8 h TYR 19 Ca -0.00 -0.19 0.17 0.00 2.58 0.00 0.00 58.73 61.29 1ru8 h TYR 19 Cb 0.58 -0.07 -0.10 0.00 1.55 0.00 0.00 36.73 38.69 1ru8 h TYR 19 CO 0.00 0.93 0.55 0.00 -1.32 0.00 0.00 178.16 178.32 1ru8 h ALA 20 N 0.42 1.52 -0.01 1.82 0.00 -0.39 0.32 119.26 122.94 1ru8 h ALA 20 Ca -0.02 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1ru8 h ALA 20 Cb 0.97 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 1ru8 h ALA 20 CO 0.07 -0.06 0.00 1.25 0.00 0.00 0.00 179.25 180.51 1ru8 h LEU 21 N 0.72 0.02 -1.26 0.00 5.85 -1.14 -1.16 115.31 118.34 1ru8 h LEU 21 Ca 0.54 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 59.02 1ru8 h LEU 21 Cb 0.80 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.80 1ru8 h LEU 21 CO -0.38 0.23 0.29 0.22 -0.34 0.00 0.00 178.44 178.46 1ru8 h TYR 22 N -0.20 0.79 -0.36 1.25 3.20 -0.16 -1.84 116.97 119.65 1ru8 h TYR 22 Ca 0.00 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.81 1ru8 h TYR 22 Cb 0.22 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 1ru8 h TYR 22 CO 0.00 0.57 0.05 2.35 -1.64 0.00 0.00 178.16 179.49 1ru8 h TRP 23 N 0.80 0.64 0.26 -3.82 7.01 -0.21 -1.91 115.95 118.73 1ru8 h TRP 23 Ca 0.20 -0.09 -0.01 0.00 2.11 0.00 0.00 58.89 61.09 1ru8 h TRP 23 Cb 0.07 -0.17 0.00 0.00 -2.10 0.00 0.00 29.16 26.95 1ru8 h TRP 23 CO 0.01 0.67 -0.12 0.00 -2.79 0.00 0.00 178.44 176.20 1ru8 h ALA 24 N 0.90 -0.35 -0.74 2.65 0.00 -0.81 -1.94 119.26 118.97 1ru8 h ALA 24 Ca 0.11 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1ru8 h ALA 24 Cb 0.38 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1ru8 h ALA 24 CO 0.01 -0.62 0.48 0.82 0.00 0.00 0.00 179.25 179.94 1ru8 h ILE 25 N -0.49 1.06 0.00 0.00 1.08 -1.37 -1.52 117.51 116.27 1ru8 h ILE 25 Ca -0.04 -0.28 0.00 0.00 -0.39 0.00 0.00 64.86 64.15 1ru8 h ILE 25 Cb 0.37 0.16 0.00 0.00 -3.07 0.00 0.00 36.82 34.28 1ru8 h ILE 25 CO 0.06 0.15 0.00 0.11 -0.69 0.00 0.00 178.15 177.78 1ru8 h LYS 26 N 0.82 0.00 -0.79 2.37 1.79 -1.17 -3.16 116.57 116.43 1ru8 h LYS 26 Ca 0.31 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.65 1ru8 h LYS 26 Cb 0.17 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 30.75 1ru8 h LYS 26 CO -0.10 0.00 0.16 0.09 -1.08 0.00 0.00 179.45 178.52 1ru8 n ASN 27 N -2.83 4.27 -0.23 0.86 3.02 -0.61 -4.87 115.26 114.87 1ru8 n ASN 27 Ca 0.03 -2.87 -0.03 0.00 -0.03 0.00 0.00 54.58 51.68 1ru8 n ASN 27 Cb 0.41 -0.68 -0.01 0.00 -0.61 0.00 0.00 39.78 38.89 1ru8 n ASN 27 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1ru8 n ARG 28 N 0.08 -1.19 -1.78 3.52 5.12 -1.19 -4.99 116.66 116.23 1ru8 n ARG 28 Ca 0.29 0.46 -0.32 0.00 -1.93 0.00 0.00 57.85 56.35 1ru8 n ARG 28 Cb 1.11 -4.44 0.04 0.00 -1.16 0.00 0.00 32.46 28.00 1ru8 n ARG 28 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 1ru8 s PHE 29 N -1.62 2.87 -0.41 -1.55 0.08 -0.96 -4.98 117.98 111.41 1ru8 s PHE 29 Ca 0.00 1.51 -0.06 0.00 0.12 0.00 0.00 56.93 58.50 1ru8 s PHE 29 Cb 0.00 -3.03 0.09 0.00 -0.57 0.00 0.00 43.02 39.51 1ru8 s PHE 29 CO 0.00 -1.37 0.22 0.45 -0.10 0.00 0.00 175.22 174.41 1ru8 s SER 30 N -3.01 5.40 -0.60 1.36 0.15 0.48 -4.56 113.70 112.92 1ru8 s SER 30 Ca 0.63 -1.74 -0.28 0.00 0.70 0.00 0.00 55.95 55.26 1ru8 s SER 30 Cb -0.17 -1.89 0.03 0.00 -1.71 0.00 0.00 66.02 62.28 1ru8 s SER 30 CO 0.44 -0.53 1.23 -0.69 1.20 0.00 0.00 173.24 174.90 1ru8 s VAL 31 N 1.28 3.95 -0.04 4.45 1.01 -1.26 -0.81 120.40 128.98 1ru8 s VAL 31 Ca 0.04 0.82 -0.15 0.00 0.00 0.00 0.00 61.98 62.70 1ru8 s VAL 31 Cb -0.23 -4.71 -0.32 0.00 0.00 0.00 0.00 36.38 31.12 1ru8 s VAL 31 CO -0.01 -1.38 0.77 0.11 0.00 0.00 0.00 175.10 174.59 1ru8 h LYS 32 N 9.81 0.40 -3.76 2.72 1.79 -1.48 -3.48 116.57 122.58 1ru8 h LYS 32 Ca -0.26 -0.69 -0.10 0.00 -2.18 0.00 0.00 60.65 57.43 1ru8 h LYS 32 Cb 1.06 0.26 -0.15 0.00 -1.58 0.00 0.00 32.23 31.81 1ru8 h LYS 32 CO 1.20 1.33 -0.41 -0.06 -1.08 0.00 0.00 179.45 180.42 1ru8 s PHE 33 N -2.55 0.15 -0.16 -1.35 0.40 -1.22 -4.35 117.98 108.91 1ru8 s PHE 33 Ca -0.14 -0.51 -0.03 0.00 -0.60 0.00 0.00 56.93 55.65 1ru8 s PHE 33 Cb 0.04 -0.08 -0.02 0.00 0.51 0.00 0.00 43.02 43.47 1ru8 s PHE 33 CO 0.86 -0.48 -0.06 -0.51 0.70 0.00 0.00 175.22 175.73 1ru8 s LEU 34 N -2.54 3.03 -0.20 -0.37 1.02 -0.55 -1.15 118.68 117.92 1ru8 s LEU 34 Ca 0.01 -0.23 -0.04 0.00 0.02 0.00 0.00 54.13 53.89 1ru8 s LEU 34 Cb 0.03 -1.73 -0.02 0.00 0.02 0.00 0.00 46.19 44.49 1ru8 s LEU 34 CO -0.08 0.13 -0.04 -0.69 0.02 0.00 0.00 176.35 175.69 1ru8 s VAL 35 N 0.57 3.56 0.00 -1.59 1.01 0.16 -0.79 120.40 123.31 1ru8 s VAL 35 Ca -0.04 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1ru8 s VAL 35 Cb -0.15 -2.60 0.00 0.00 0.00 0.00 0.00 36.38 33.64 1ru8 s VAL 35 CO 0.03 0.44 0.00 0.41 0.00 0.00 0.00 175.10 175.98 1ru8 n THR 36 N 4.35 0.00 -3.50 3.92 -1.04 -0.79 -0.53 114.28 116.69 1ru8 n THR 36 Ca -0.18 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 61.84 1ru8 n THR 36 Cb 0.52 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.97 1ru8 n THR 36 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1ru8 s VAL 38 N -0.64 -0.14 0.19 12.58 1.01 0.15 -1.03 120.40 132.50 1ru8 s VAL 38 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 61.98 62.02 1ru8 s VAL 38 Cb 0.00 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 1ru8 s VAL 38 CO 0.00 0.00 0.31 -0.44 0.00 0.00 0.00 175.10 174.97 1ru8 s SER 39 N 1.69 6.28 0.00 3.32 0.01 -1.26 -1.38 113.70 122.36 1ru8 s SER 39 Ca -0.05 0.11 0.25 0.00 1.31 0.00 0.00 55.95 57.56 1ru8 s SER 39 Cb -0.03 -1.86 1.31 0.00 0.21 0.00 0.00 66.02 65.64 1ru8 s SER 39 CO -0.15 0.00 1.83 -0.62 0.41 0.00 0.00 173.24 174.71 1ru8 n GLU 40 N -0.91 0.46 -2.35 12.44 1.02 -0.60 -3.62 120.64 127.09 1ru8 n GLU 40 Ca -0.08 0.04 -0.33 0.00 -0.02 0.00 0.00 57.16 56.77 1ru8 n GLU 40 Cb 0.55 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.48 1ru8 n GLU 40 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1ru8 n ASN 41 N -1.21 6.02 0.00 1.62 6.94 -1.23 -4.41 115.26 122.99 1ru8 n ASN 41 Ca 0.14 -3.76 0.00 0.00 -0.02 0.00 0.00 54.58 50.94 1ru8 n ASN 41 Cb 0.17 -0.78 0.00 0.00 -2.36 0.00 0.00 39.78 36.81 1ru8 n ASN 41 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1ru8 n GLU 42 N -0.42 0.72 0.00 -3.83 1.02 -1.24 -5.04 120.64 111.85 1ru8 n GLU 42 Ca 0.44 -0.24 0.00 0.00 -0.02 0.00 0.00 57.16 57.35 1ru8 n GLU 42 Cb 0.42 -0.69 0.00 0.00 -0.02 0.00 0.00 31.44 31.15 1ru8 n GLU 42 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1ru8 n GLU 43 N -0.17 0.00 0.00 3.49 0.00 -1.26 -4.55 120.64 118.15 1ru8 n GLU 43 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 57.16 57.20 1ru8 n GLU 43 Cb 0.07 0.00 0.22 0.00 0.00 0.00 0.00 31.44 31.73 1ru8 n GLU 43 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1ru8 n SER 44 N 4.00 0.00 -0.37 4.31 3.41 -1.26 -4.32 113.62 119.38 1ru8 n SER 44 Ca 0.00 -0.55 0.00 0.00 -0.26 0.00 0.00 58.87 58.06 1ru8 n SER 44 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1ru8 n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ru8 n TYR 45 N -0.80 0.00 0.00 7.33 9.36 -1.26 -4.83 117.16 126.96 1ru8 n TYR 45 Ca 0.06 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.28 1ru8 n TYR 45 Cb 0.03 -0.02 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 1ru8 n TYR 45 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1ru8 n TYR 47 N 0.13 0.00 -0.40 2.98 4.01 -1.26 -5.09 117.16 117.52 1ru8 n TYR 47 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1ru8 n TYR 47 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.09 1ru8 n TYR 47 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 1ru8 n THR 49 N 0.00 0.00 0.96 -0.72 5.66 -1.26 -5.11 114.28 113.81 1ru8 n THR 49 Ca 0.00 0.00 0.11 0.00 -3.05 0.00 0.00 64.05 61.11 1ru8 n THR 49 Cb 0.00 0.00 0.08 0.00 -1.55 0.00 0.00 70.33 68.86 1ru8 n THR 49 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ru8 n ILE 50 N -0.33 0.00 0.24 1.09 0.13 -1.26 -4.36 119.36 114.86 1ru8 n ILE 50 Ca 0.00 -0.45 0.10 0.00 -1.10 0.00 0.00 62.75 61.30 1ru8 n ILE 50 Cb 0.00 1.43 0.58 0.00 -0.84 0.00 0.00 39.64 40.81 1ru8 n ILE 50 CO 0.00 0.00 0.00 -1.13 2.80 0.00 0.00 176.55 178.22 1ru8 h ASN 51 N 4.07 0.00 0.19 9.51 -1.24 -1.90 -2.63 115.58 123.58 1ru8 h ASN 51 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1ru8 h ASN 51 Cb 0.91 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.96 1ru8 h ASN 51 CO 0.00 0.20 -1.58 0.00 -1.29 0.00 0.00 177.43 174.76 1ru8 n ALA 52 N -2.30 3.15 -1.48 1.57 0.00 -1.26 -4.27 120.51 115.93 1ru8 n ALA 52 Ca -0.01 -0.48 -0.17 0.00 0.00 0.00 0.00 53.44 52.78 1ru8 n ALA 52 Cb 0.33 -0.83 0.15 0.00 0.00 0.00 0.00 19.45 19.09 1ru8 n ALA 52 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ru8 n ASN 53 N -2.15 4.02 -0.02 0.00 4.13 -1.03 -4.63 115.26 115.59 1ru8 n ASN 53 Ca -0.01 -3.75 -0.02 0.00 1.68 0.00 0.00 54.58 52.47 1ru8 n ASN 53 Cb 0.51 -0.70 0.24 0.00 -1.54 0.00 0.00 39.78 38.30 1ru8 n ASN 53 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1ru8 h LEU 54 N 1.35 0.54 -1.39 3.41 3.38 -1.66 -1.92 115.31 119.03 1ru8 h LEU 54 Ca 0.40 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 58.18 1ru8 h LEU 54 Cb 1.74 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.34 1ru8 h LEU 54 CO 0.81 0.66 -0.26 0.71 0.09 0.00 0.00 178.44 180.45 1ru8 h THR 55 N 0.53 1.21 -0.26 0.22 1.35 -1.90 -1.90 112.91 112.15 1ru8 h THR 55 Ca 0.10 -0.97 -0.04 0.00 -0.55 0.00 0.00 66.41 64.95 1ru8 h THR 55 Cb 0.44 1.47 -0.01 0.00 -1.73 0.00 0.00 68.15 68.32 1ru8 h THR 55 CO 0.02 0.28 -0.00 0.44 -0.25 0.00 0.00 175.52 176.01 1ru8 h ASP 56 N 0.07 0.46 -0.44 5.36 3.32 -1.71 0.34 116.42 123.82 1ru8 h ASP 56 Ca 0.01 -0.31 0.02 0.00 0.02 0.00 0.00 57.03 56.77 1ru8 h ASP 56 Cb 0.50 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 1ru8 h ASP 56 CO 0.04 0.66 0.25 0.25 -1.72 0.00 0.00 179.24 178.72 1ru8 h LEU 57 N 0.25 0.41 -0.93 1.55 5.85 -1.03 0.17 115.31 121.57 1ru8 h LEU 57 Ca 0.07 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.69 1ru8 h LEU 57 Cb 0.43 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1ru8 h LEU 57 CO 0.01 0.29 -0.48 1.56 -0.34 0.00 0.00 178.44 179.49 1ru8 h GLN 58 N 0.51 0.13 0.84 1.25 4.20 -1.18 -2.65 115.11 118.22 1ru8 h GLN 58 Ca 0.18 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.78 1ru8 h GLN 58 Cb 0.03 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.82 1ru8 h GLN 58 CO -0.09 0.58 -0.40 0.00 -0.67 0.00 0.00 178.83 178.25 1ru8 h ALA 59 N 1.41 -1.12 -0.28 3.87 0.00 0.63 -0.58 119.26 123.19 1ru8 h ALA 59 Ca 0.00 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.73 1ru8 h ALA 59 Cb 0.88 0.43 -0.08 0.00 0.00 0.00 0.00 17.79 19.03 1ru8 h ALA 59 CO 0.07 -1.10 -0.35 0.00 0.00 0.00 0.00 179.25 177.87 1ru8 h ARG 60 N -1.19 -0.33 -0.70 0.00 -0.00 -0.97 0.95 114.38 112.14 1ru8 h ARG 60 Ca -0.11 0.02 0.20 0.00 -0.50 0.00 0.00 59.98 59.59 1ru8 h ARG 60 Cb 0.87 0.08 -0.03 0.00 0.00 0.00 0.00 29.97 30.89 1ru8 h ARG 60 CO 0.19 -0.22 0.59 0.00 0.00 0.00 0.00 179.97 180.53 1ru8 h ALA 61 N 0.51 2.56 0.00 0.04 0.00 -1.37 0.97 119.26 121.98 1ru8 h ALA 61 Ca 0.13 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.79 1ru8 h ALA 61 Cb 0.56 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 1ru8 h ALA 61 CO -0.47 -0.95 -1.63 1.28 0.00 0.00 0.00 179.25 177.49 1ru8 n LEU 62 N -4.00 0.76 -0.63 0.00 4.77 0.16 -0.13 117.00 117.93 1ru8 n LEU 62 Ca 0.14 0.34 -0.08 0.00 -0.03 0.00 0.00 56.01 56.38 1ru8 n LEU 62 Cb 0.85 0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 42.05 1ru8 n LEU 62 CO 0.34 0.26 -0.08 0.61 -1.33 0.00 0.00 177.39 177.18 1ru8 n GLY 63 N 1.48 0.98 3.55 -0.72 0.00 0.28 -4.85 105.19 105.92 1ru8 n GLY 63 Ca -0.14 -0.45 -0.35 0.00 0.00 0.00 0.00 46.02 45.08 1ru8 n GLY 63 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ru8 s ILE 64 N -2.20 4.56 0.39 -0.61 1.01 -1.23 -5.05 121.20 118.07 1ru8 s ILE 64 Ca 0.00 -0.11 -0.25 0.00 0.00 0.00 0.00 60.65 60.30 1ru8 s ILE 64 Cb 0.00 -3.08 -0.12 0.00 0.01 0.00 0.00 42.46 39.27 1ru8 s ILE 64 CO 0.00 0.41 0.90 -2.65 0.00 0.00 0.00 174.94 173.60 1ru8 n PRO 65 N 4.08 1.14 -4.08 2.79 -0.02 -1.26 -4.78 135.00 132.87 1ru8 n PRO 65 Ca -0.16 0.41 -0.32 0.00 -2.02 0.00 0.00 63.50 61.40 1ru8 n PRO 65 Cb 0.52 -1.86 -0.16 0.00 -0.02 0.00 0.00 33.50 31.98 1ru8 n PRO 65 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1ru8 s LEU 66 N 0.25 2.34 -0.07 2.45 2.96 -1.26 -1.48 118.68 123.86 1ru8 s LEU 66 Ca 0.62 -0.80 -0.19 0.00 -0.22 0.00 0.00 54.13 53.54 1ru8 s LEU 66 Cb -0.61 -1.41 -0.05 0.00 0.50 0.00 0.00 46.19 44.62 1ru8 s LEU 66 CO 0.58 -0.06 0.53 -0.69 -1.32 0.00 0.00 176.35 175.38 1ru8 s VAL 67 N 1.30 5.07 -0.25 1.68 1.01 0.03 -4.94 120.40 124.29 1ru8 s VAL 67 Ca 0.01 1.08 0.01 0.00 0.00 0.00 0.00 61.98 63.08 1ru8 s VAL 67 Cb -0.15 -3.86 0.05 0.00 0.00 0.00 0.00 36.38 32.42 1ru8 s VAL 67 CO -0.10 0.37 -0.09 -0.75 0.00 0.00 0.00 175.10 174.52 1ru8 s LYS 68 N 0.23 2.48 0.21 2.72 2.47 -1.26 -1.89 119.74 124.69 1ru8 s LYS 68 Ca 0.28 -1.20 0.04 0.00 -1.56 0.00 0.00 55.97 53.53 1ru8 s LYS 68 Cb -0.16 -2.92 -0.03 0.00 -1.46 0.00 0.00 37.83 33.26 1ru8 s LYS 68 CO 0.13 -0.50 0.34 0.20 0.16 0.00 0.00 175.35 175.68 1ru8 s GLY 69 N 1.19 1.40 -0.01 5.54 0.00 -0.20 -4.99 107.32 110.25 1ru8 s GLY 69 Ca -0.05 -1.14 0.05 0.00 0.00 0.00 0.00 44.72 43.58 1ru8 s GLY 69 CO -0.05 -1.15 -0.17 -1.36 0.00 0.00 0.00 173.10 170.37 1ru8 s PHE 70 N -1.91 1.50 0.22 1.90 0.40 -1.26 -0.68 117.98 118.16 1ru8 s PHE 70 Ca 0.35 -0.29 -0.06 0.00 -0.60 0.00 0.00 56.93 56.33 1ru8 s PHE 70 Cb -0.10 -0.97 -0.03 0.00 0.51 0.00 0.00 43.02 42.44 1ru8 s PHE 70 CO 0.29 -0.03 0.26 -0.08 0.70 0.00 0.00 175.22 176.36 1ru8 s THR 71 N -0.38 0.00 -0.02 0.64 -1.32 -0.48 -4.93 115.64 109.15 1ru8 s THR 71 Ca 0.06 -1.77 -0.03 0.00 -1.21 0.00 0.00 61.69 58.74 1ru8 s THR 71 Cb -0.07 -2.38 -0.02 0.00 -1.51 0.00 0.00 72.50 68.53 1ru8 s THR 71 CO -0.01 -0.00 0.28 1.56 -2.21 0.00 0.00 174.62 174.24 1ru8 h GLN 72 N 2.48 -0.11 0.00 7.08 4.20 -1.94 -2.69 115.11 124.14 1ru8 h GLN 72 Ca -0.32 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.40 1ru8 h GLN 72 Cb 1.25 0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.05 1ru8 h GLN 72 CO 0.46 -0.07 0.00 0.41 -0.67 0.00 0.00 178.83 178.96 1ru8 n GLY 73 N 1.18 0.01 3.67 3.46 0.00 -1.26 -1.56 105.19 110.70 1ru8 n GLY 73 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1ru8 n GLY 73 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ru8 s GLU 74 N 0.00 4.20 0.55 1.61 2.02 -1.26 -4.86 118.70 120.95 1ru8 s GLU 74 Ca 0.00 2.21 0.42 0.00 0.02 0.00 0.00 54.97 57.62 1ru8 s GLU 74 Cb 0.00 -3.81 1.63 0.00 0.10 0.00 0.00 34.13 32.05 1ru8 s GLU 74 CO 0.00 -0.77 1.71 0.87 0.02 0.00 0.00 175.26 177.08 1ru8 h LYS 75 N 8.93 0.00 0.00 1.61 1.57 -2.00 0.07 116.57 126.76 1ru8 h LYS 75 Ca -0.40 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1ru8 h LYS 75 Cb 1.19 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1ru8 h LYS 75 CO 0.94 0.00 -0.04 0.93 -0.57 0.00 0.00 179.45 180.71 1ru8 h GLU 76 N 0.00 0.00 -0.61 3.15 3.07 -2.03 -3.37 114.58 114.79 1ru8 h GLU 76 Ca 0.72 0.00 0.18 0.00 -0.50 0.00 0.00 59.36 59.76 1ru8 h GLU 76 Cb 2.89 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 30.78 1ru8 h GLU 76 CO -0.02 0.00 0.59 -0.22 -1.40 0.00 0.00 179.01 177.97 1ru8 h LYS 77 N -0.23 0.00 -0.99 2.33 3.64 -1.88 -0.91 116.57 118.53 1ru8 h LYS 77 Ca 0.00 0.00 0.21 0.00 -1.27 0.00 0.00 60.65 59.59 1ru8 h LYS 77 Cb 0.04 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 31.77 1ru8 h LYS 77 CO 0.00 0.00 0.62 0.93 -2.27 0.00 0.00 179.45 178.73 1ru8 h GLU 78 N 0.00 0.56 0.00 1.90 5.08 -1.15 0.24 114.58 121.20 1ru8 h GLU 78 Ca 0.29 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.55 1ru8 h GLU 78 Cb 1.47 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.58 1ru8 h GLU 78 CO -0.00 0.37 -0.32 -0.39 -1.00 0.00 0.00 179.01 177.66 1ru8 h VAL 79 N 0.57 0.75 0.08 3.13 -1.51 -1.36 -3.18 116.25 114.73 1ru8 h VAL 79 Ca 0.56 -1.40 -0.00 0.00 -1.23 0.00 0.00 66.70 64.62 1ru8 h VAL 79 Cb 1.13 1.89 0.00 0.00 -2.13 0.00 0.00 31.29 32.18 1ru8 h VAL 79 CO -0.31 0.32 -0.04 -0.33 -1.23 0.00 0.00 177.57 175.98 1ru8 h GLU 80 N 0.00 -0.10 -0.79 5.19 4.39 -0.66 -2.80 114.58 119.81 1ru8 h GLU 80 Ca -0.00 0.01 0.12 0.00 0.34 0.00 0.00 59.36 59.83 1ru8 h GLU 80 Cb 0.87 0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 29.48 1ru8 h GLU 80 CO 0.04 0.38 0.52 -0.44 -1.16 0.00 0.00 179.01 178.35 1ru8 h ASP 81 N -0.65 0.56 -0.24 1.42 5.19 -1.54 -1.41 116.42 119.75 1ru8 h ASP 81 Ca -0.01 0.02 -0.05 0.00 -0.62 0.00 0.00 57.03 56.38 1ru8 h ASP 81 Cb 0.53 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.95 1ru8 h ASP 81 CO 0.02 0.31 -0.03 0.25 -3.12 0.00 0.00 179.24 176.67 1ru8 h LEU 82 N 0.61 0.45 -0.82 1.55 5.85 -1.58 -2.36 115.31 119.01 1ru8 h LEU 82 Ca 0.38 -0.34 0.06 0.00 0.84 0.00 0.00 57.88 58.82 1ru8 h LEU 82 Cb 0.64 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.49 1ru8 h LEU 82 CO -0.15 0.68 0.51 0.50 -0.34 0.00 0.00 178.44 179.64 1ru8 h LYS 83 N 0.20 0.91 -0.59 1.25 3.64 -1.00 0.21 116.57 121.20 1ru8 h LYS 83 Ca 0.07 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.31 1ru8 h LYS 83 Cb 0.47 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 1ru8 h LYS 83 CO 0.02 0.60 0.04 0.00 -2.27 0.00 0.00 179.45 177.84 1ru8 h ARG 84 N 0.94 1.02 -0.08 1.90 3.08 -1.29 0.20 114.38 120.15 1ru8 h ARG 84 Ca 0.35 -0.30 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 1ru8 h ARG 84 Cb 0.14 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 1ru8 h ARG 84 CO -0.16 0.99 -0.02 0.28 -1.07 0.00 0.00 179.97 179.98 1ru8 h VAL 85 N 0.91 1.29 -0.61 2.04 2.07 -0.90 -2.99 116.25 118.07 1ru8 h VAL 85 Ca 0.17 -0.94 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 1ru8 h VAL 85 Cb 0.50 1.77 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 1ru8 h VAL 85 CO 0.02 0.26 0.30 -0.07 0.02 0.00 0.00 177.57 178.10 1ru8 h LEU 86 N -0.18 0.77 -2.11 2.57 4.07 -0.50 -2.18 115.31 117.74 1ru8 h LEU 86 Ca 0.02 -0.07 -0.02 0.00 0.08 0.00 0.00 57.88 57.89 1ru8 h LEU 86 Cb 0.42 -0.20 -0.00 0.00 1.08 0.00 0.00 40.66 41.97 1ru8 h LEU 86 CO 0.01 0.65 -0.08 0.77 -1.08 0.00 0.00 178.44 178.71 1ru8 h SER 87 N 0.85 0.00 -0.47 -0.43 4.64 -0.51 -2.51 113.55 115.13 1ru8 h SER 87 Ca 0.21 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.39 1ru8 h SER 87 Cb 0.08 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.08 1ru8 h SER 87 CO -0.03 0.08 0.19 0.61 -0.87 0.00 0.00 176.83 176.80 1ru8 n GLY 88 N -0.83 2.93 3.07 -0.77 0.00 -0.82 -4.86 105.19 103.91 1ru8 n GLY 88 Ca -0.02 -0.61 -0.25 0.00 0.00 0.00 0.00 46.02 45.14 1ru8 n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ru8 s LEU 89 N -1.85 1.77 -1.26 0.99 1.43 -0.95 -5.06 118.68 113.76 1ru8 s LEU 89 Ca 0.34 -0.32 -0.20 0.00 -1.03 0.00 0.00 54.13 52.92 1ru8 s LEU 89 Cb 0.27 -0.88 0.01 0.00 0.03 0.00 0.00 46.19 45.63 1ru8 s LEU 89 CO 0.08 0.08 1.81 -0.54 0.23 0.00 0.00 176.35 178.01 1ru8 s LYS 90 N 0.41 3.45 0.16 1.70 1.02 -1.26 -4.90 119.74 120.32 1ru8 s LYS 90 Ca -0.11 -1.71 0.03 0.00 0.02 0.00 0.00 55.97 54.21 1ru8 s LYS 90 Cb -0.14 -5.43 -0.05 0.00 -0.52 0.00 0.00 37.83 31.69 1ru8 s LYS 90 CO 0.03 -2.89 -0.06 0.96 -0.92 0.00 0.00 175.35 172.47 1ru8 s ILE 91 N 6.69 1.00 -0.36 2.17 -4.36 -1.26 -4.88 121.20 120.19 1ru8 s ILE 91 Ca 0.59 -2.03 0.16 0.00 -0.26 0.00 0.00 60.65 59.12 1ru8 s ILE 91 Cb 0.02 -1.96 -0.21 0.00 1.25 0.00 0.00 42.46 41.56 1ru8 s ILE 91 CO 0.10 -0.65 0.50 0.00 0.24 0.00 0.00 174.94 175.14 1ru8 n GLN 92 N -0.22 1.10 -3.86 0.37 1.13 0.17 -4.99 117.38 111.09 1ru8 n GLN 92 Ca -0.09 -0.08 -0.04 0.00 -1.94 0.00 0.00 57.00 54.86 1ru8 n GLN 92 Cb 0.62 -1.32 0.01 0.00 0.11 0.00 0.00 30.24 29.66 1ru8 n GLN 92 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1ru8 s GLY 93 N -3.22 0.08 0.01 1.08 0.00 -1.20 -0.84 107.32 103.22 1ru8 s GLY 93 Ca -0.00 -0.29 0.02 0.00 0.00 0.00 0.00 44.72 44.44 1ru8 s GLY 93 CO 0.66 1.83 -0.05 -0.26 0.00 0.00 0.00 173.10 175.28 1ru8 s ILE 94 N -2.35 0.39 -0.13 0.90 -4.36 -0.25 -2.20 121.20 113.20 1ru8 s ILE 94 Ca 0.20 -0.55 -0.01 0.00 -0.26 0.00 0.00 60.65 60.02 1ru8 s ILE 94 Cb -0.03 -0.40 -0.02 0.00 1.25 0.00 0.00 42.46 43.27 1ru8 s ILE 94 CO 0.05 -0.12 -0.10 -0.69 0.24 0.00 0.00 174.94 174.33 1ru8 s VAL 95 N -0.65 3.34 0.37 8.37 1.01 -0.39 -0.97 120.40 131.48 1ru8 s VAL 95 Ca -0.04 -0.56 0.08 0.00 0.00 0.00 0.00 61.98 61.46 1ru8 s VAL 95 Cb -0.05 -2.42 -0.05 0.00 0.00 0.00 0.00 36.38 33.85 1ru8 s VAL 95 CO -0.00 0.52 0.12 0.00 0.00 0.00 0.00 175.10 175.74 1ru8 s ALA 96 N 0.30 3.44 -0.01 5.51 0.00 -0.30 -0.43 121.76 130.28 1ru8 s ALA 96 Ca -0.08 -1.98 0.00 0.00 0.00 0.00 0.00 51.96 49.90 1ru8 s ALA 96 Cb -0.15 -0.48 -0.01 0.00 0.00 0.00 0.00 23.12 22.48 1ru8 s ALA 96 CO 0.05 -0.04 -0.01 0.41 0.00 0.00 0.00 175.76 176.17 1ru8 n GLY 97 N -1.13 -0.01 0.00 0.00 0.00 -1.26 -4.48 105.19 98.30 1ru8 n GLY 97 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1ru8 n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ru8 n ALA 100 N -2.54 0.73 -3.00 4.61 0.00 -1.26 -4.67 120.51 114.38 1ru8 n ALA 100 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1ru8 n ALA 100 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1ru8 n ALA 100 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ru8 n SER 101 N 0.00 0.51 0.00 0.00 2.88 -1.26 -4.48 113.62 111.27 1ru8 n SER 101 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ru8 n SER 101 Cb 0.37 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.83 1ru8 n SER 101 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1ru8 n LYS 102 N 0.00 0.00 0.09 -1.46 4.76 -1.26 -4.77 118.16 115.52 1ru8 n LYS 102 Ca 0.00 0.00 0.08 0.00 -2.87 0.00 0.00 58.31 55.52 1ru8 n LYS 102 Cb 0.00 -0.65 -0.02 0.00 -1.84 0.00 0.00 35.03 32.52 1ru8 n LYS 102 CO 0.00 0.00 0.00 0.10 -1.37 0.00 0.00 177.40 176.13 1ru8 h TYR 103 N 0.00 0.00 0.00 2.13 -0.00 -2.01 -3.32 116.97 113.77 1ru8 h TYR 103 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 58.69 1ru8 h TYR 103 Cb 0.87 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.60 1ru8 h TYR 103 CO 0.00 0.16 -0.17 1.96 -0.00 0.00 0.00 178.16 180.11 1ru8 h GLN 104 N 0.00 0.00 -0.65 0.10 1.08 -1.99 -1.94 115.11 111.72 1ru8 h GLN 104 Ca -0.04 0.00 0.07 0.00 -1.45 0.00 0.00 58.65 57.22 1ru8 h GLN 104 Cb 1.16 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.53 1ru8 h GLN 104 CO 0.01 0.17 0.34 -0.09 -0.95 0.00 0.00 178.83 178.31 1ru8 h ARG 105 N 0.00 0.60 0.00 1.46 1.12 -1.86 0.17 114.38 115.87 1ru8 h ARG 105 Ca -0.00 -0.04 -0.07 0.00 -1.11 0.00 0.00 59.98 58.76 1ru8 h ARG 105 Cb 0.34 -0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 30.15 1ru8 h ARG 105 CO 0.02 0.40 -0.36 -0.22 -3.11 0.00 0.00 179.97 176.70 1ru8 h LYS 106 N 0.62 0.00 -0.42 0.20 1.63 -1.58 -2.59 116.57 114.42 1ru8 h LYS 106 Ca 0.30 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 60.02 1ru8 h LYS 106 Cb 0.23 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.85 1ru8 h LYS 106 CO -0.21 0.36 -0.05 -0.09 -3.45 0.00 0.00 179.45 176.01 1ru8 h ARG 107 N 0.00 0.78 -0.41 1.90 9.65 -0.29 -2.00 114.38 124.02 1ru8 h ARG 107 Ca -0.00 -0.28 -0.10 0.00 -1.10 0.00 0.00 59.98 58.50 1ru8 h ARG 107 Cb 0.98 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.49 1ru8 h ARG 107 CO 0.05 0.88 -0.13 0.82 2.80 0.00 0.00 179.97 184.39 1ru8 h ILE 108 N 0.61 1.28 0.00 1.20 5.03 -0.76 -2.76 117.51 122.11 1ru8 h ILE 108 Ca 0.11 -1.24 -0.02 0.00 -0.12 0.00 0.00 64.86 63.60 1ru8 h ILE 108 Cb 0.56 1.23 -0.00 0.00 -3.03 0.00 0.00 36.82 35.58 1ru8 h ILE 108 CO 0.03 0.42 -0.08 -0.33 -0.68 0.00 0.00 178.15 177.51 1ru8 h GLU 109 N 0.62 0.00 0.62 2.37 5.08 -1.37 -0.99 114.58 120.92 1ru8 h GLU 109 Ca 0.10 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1ru8 h GLU 109 Cb 0.67 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.92 1ru8 h GLU 109 CO 0.05 0.08 -0.30 -0.22 -1.00 0.00 0.00 179.01 177.62 1ru8 h LYS 110 N 0.00 -0.80 -0.73 2.33 1.63 -1.06 -0.39 116.57 117.54 1ru8 h LYS 110 Ca -0.00 0.05 -0.04 0.00 -0.85 0.00 0.00 60.65 59.82 1ru8 h LYS 110 Cb 0.24 0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 32.02 1ru8 h LYS 110 CO 0.01 -0.54 0.32 -0.39 -3.45 0.00 0.00 179.45 175.40 1ru8 h VAL 111 N -1.16 1.24 -0.96 2.00 -1.51 -1.46 0.95 116.25 115.36 1ru8 h VAL 111 Ca -0.09 -0.72 0.02 0.00 -1.23 0.00 0.00 66.70 64.68 1ru8 h VAL 111 Cb 0.64 0.34 -0.05 0.00 -2.13 0.00 0.00 31.29 30.09 1ru8 h VAL 111 CO 0.14 0.30 0.63 0.00 -1.23 0.00 0.00 177.57 177.41 1ru8 h ALA 112 N 1.30 1.23 0.04 5.19 0.00 -1.21 0.63 119.26 126.43 1ru8 h ALA 112 Ca 0.25 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1ru8 h ALA 112 Cb 0.16 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1ru8 h ALA 112 CO -0.03 0.58 -0.02 -0.22 0.00 0.00 0.00 179.25 179.56 1ru8 h LYS 113 N 1.27 -0.05 0.00 0.00 3.64 -0.31 0.37 116.57 121.49 1ru8 h LYS 113 Ca 0.36 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 1ru8 h LYS 113 Cb -0.10 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 1ru8 h LYS 113 CO -0.09 0.40 0.00 0.39 -2.27 0.00 0.00 179.45 177.88 1ru8 n GLU 114 N -4.90 0.05 -0.13 1.90 1.02 0.26 -1.38 120.64 117.46 1ru8 n GLU 114 Ca -0.08 0.40 0.05 0.00 -0.02 0.00 0.00 57.16 57.51 1ru8 n GLU 114 Cb 0.24 -1.62 0.13 0.00 -0.02 0.00 0.00 31.44 30.17 1ru8 n GLU 114 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1ru8 n LEU 115 N -1.72 2.69 -2.87 -4.62 4.77 0.19 -4.99 117.00 110.45 1ru8 n LEU 115 Ca 0.02 -1.80 -0.22 0.00 -0.03 0.00 0.00 56.01 53.98 1ru8 n LEU 115 Cb 0.12 -0.18 0.02 0.00 -2.33 0.00 0.00 43.42 41.05 1ru8 n LEU 115 CO 0.10 0.65 -0.07 0.61 -1.33 0.00 0.00 177.39 177.35 1ru8 n GLY 116 N 0.50 -0.52 3.56 -0.72 0.00 -0.48 -5.00 105.19 102.54 1ru8 n GLY 116 Ca 0.10 0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 1ru8 n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ru8 s LEU 117 N -6.52 2.98 0.60 0.99 1.43 0.12 -4.96 118.68 113.32 1ru8 s LEU 117 Ca 0.23 -0.47 -0.15 0.00 -1.03 0.00 0.00 54.13 52.71 1ru8 s LEU 117 Cb -0.10 -1.75 -0.03 0.00 0.03 0.00 0.00 46.19 44.34 1ru8 s LEU 117 CO 0.28 0.15 1.06 -1.61 0.23 0.00 0.00 176.35 176.46 1ru8 s GLU 118 N -2.41 3.29 -0.08 1.70 0.41 -0.02 -4.30 118.70 117.29 1ru8 s GLU 118 Ca 0.22 1.19 0.01 0.00 -0.41 0.00 0.00 54.97 55.98 1ru8 s GLU 118 Cb -0.10 -2.03 0.02 0.00 -1.78 0.00 0.00 34.13 30.24 1ru8 s GLU 118 CO 0.14 -0.83 -0.08 0.54 -0.49 0.00 0.00 175.26 174.53 1ru8 s VAL 119 N -2.49 0.96 -0.20 2.63 0.11 -1.26 -1.09 120.40 119.06 1ru8 s VAL 119 Ca 0.63 -0.31 -0.01 0.00 -2.93 0.00 0.00 61.98 59.36 1ru8 s VAL 119 Cb -0.16 -0.95 0.01 0.00 -1.53 0.00 0.00 36.38 33.75 1ru8 s VAL 119 CO 0.38 0.34 -0.13 -0.31 -3.33 0.00 0.00 175.10 172.05 1ru8 s TYR 120 N 1.22 2.87 -0.59 1.54 2.02 -0.14 -4.98 117.35 119.30 1ru8 s TYR 120 Ca -0.05 -1.40 0.06 0.00 -0.37 0.00 0.00 57.07 55.32 1ru8 s TYR 120 Cb -0.14 -2.00 0.26 0.00 -0.40 0.00 0.00 41.96 39.68 1ru8 s TYR 120 CO -0.02 -0.71 0.72 -2.37 -1.57 0.00 0.00 175.55 171.60 1ru8 n THR 121 N 4.68 1.83 0.15 -0.71 5.66 -1.26 -1.15 114.28 123.49 1ru8 n THR 121 Ca -0.20 -5.02 0.05 0.00 -3.05 0.00 0.00 64.05 55.83 1ru8 n THR 121 Cb 0.50 -1.99 0.24 0.00 -1.55 0.00 0.00 70.33 67.53 1ru8 n THR 121 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 1ru8 n PRO 122 N 0.85 0.05 -3.38 1.09 -0.04 -1.26 -3.45 135.00 128.86 1ru8 n PRO 122 Ca 0.28 0.49 -0.32 0.00 -0.04 0.00 0.00 63.50 63.91 1ru8 n PRO 122 Cb 0.43 -1.65 -0.06 0.00 -0.04 0.00 0.00 33.50 32.19 1ru8 n PRO 122 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ru8 n ALA 123 N -1.59 4.27 -1.36 0.55 0.00 -1.26 -4.86 120.51 116.25 1ru8 n ALA 123 Ca 0.00 -4.75 0.00 0.00 0.00 0.00 0.00 53.44 48.69 1ru8 n ALA 123 Cb 0.05 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.15 1ru8 n ALA 123 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1ru8 n TRP 124 N 1.20 0.00 -0.78 0.00 -0.00 -1.22 -4.84 117.44 111.78 1ru8 n TRP 124 Ca 0.27 0.00 -0.09 0.00 -0.00 0.00 0.00 57.50 57.68 1ru8 n TRP 124 Cb 0.38 0.00 -0.02 0.00 -0.00 0.00 0.00 31.31 31.67 1ru8 n TRP 124 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1ru8 n GLY 125 N 3.00 3.23 3.88 5.87 0.00 -1.26 -4.90 105.19 115.00 1ru8 n GLY 125 Ca 0.00 -0.69 -0.36 0.00 0.00 0.00 0.00 46.02 44.97 1ru8 n GLY 125 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ru8 s ARG 126 N -0.54 3.53 0.00 1.61 0.52 -1.26 -5.04 118.95 117.77 1ru8 s ARG 126 Ca 0.25 -0.07 -0.30 0.00 -0.52 0.00 0.00 55.73 55.09 1ru8 s ARG 126 Cb 0.16 -3.16 -0.07 0.00 0.52 0.00 0.00 34.95 32.40 1ru8 s ARG 126 CO -0.02 0.73 1.80 0.34 0.02 0.00 0.00 175.30 178.17 1ru8 s ASP 127 N -1.30 6.56 0.06 0.23 3.68 -1.26 -4.87 116.67 119.77 1ru8 s ASP 127 Ca 0.20 2.47 -0.14 0.00 2.13 0.00 0.00 52.55 57.22 1ru8 s ASP 127 Cb -0.13 -2.54 -0.04 0.00 -1.45 0.00 0.00 42.92 38.76 1ru8 s ASP 127 CO 0.10 -0.98 1.23 0.00 0.13 0.00 0.00 175.17 175.64 1ru8 h ALA 128 N 9.90 -0.41 -0.62 3.66 0.00 -1.97 0.38 119.26 130.20 1ru8 h ALA 128 Ca -0.44 0.02 0.12 0.00 0.00 0.00 0.00 54.91 54.60 1ru8 h ALA 128 Cb 1.21 0.98 -0.12 0.00 0.00 0.00 0.00 17.79 19.85 1ru8 h ALA 128 CO 0.95 -0.54 -0.24 0.87 0.00 0.00 0.00 179.25 180.28 1ru8 h LYS 129 N -0.11 -0.08 -0.37 0.00 1.57 -1.94 -0.90 116.57 114.74 1ru8 h LYS 129 Ca 0.04 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1ru8 h LYS 129 Cb 0.22 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 1ru8 h LYS 129 CO -0.30 -0.05 0.22 1.49 -0.57 0.00 0.00 179.45 180.24 1ru8 h GLU 130 N -0.08 0.43 0.00 3.15 4.81 -1.70 -2.00 114.58 119.19 1ru8 h GLU 130 Ca 0.28 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 1ru8 h GLU 130 Cb 0.52 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1ru8 h GLU 130 CO -0.67 0.28 0.00 0.98 -0.73 0.00 0.00 179.01 178.87 1ru8 n TYR 131 N -4.88 0.00 0.00 0.92 -0.00 0.12 -1.53 117.16 111.79 1ru8 n TYR 131 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.91 1ru8 n TYR 131 Cb 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.40 1ru8 n TYR 131 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 1ru8 n ARG 133 N 0.11 0.00 -0.11 2.98 1.74 -0.75 -2.00 116.66 118.63 1ru8 n ARG 133 Ca 0.00 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.97 1ru8 n ARG 133 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.41 1ru8 n ARG 133 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 1ru8 h GLU 134 N 0.00 0.62 -0.82 5.56 4.81 -1.55 -2.26 114.58 120.94 1ru8 h GLU 134 Ca 0.00 -0.24 0.02 0.00 -0.13 0.00 0.00 59.36 59.02 1ru8 h GLU 134 Cb 0.00 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.30 1ru8 h GLU 134 CO 0.00 0.80 0.53 -0.07 -0.73 0.00 0.00 179.01 179.54 1ru8 h LEU 135 N 0.40 0.89 -0.94 1.64 3.38 -1.69 -1.42 115.31 117.57 1ru8 h LEU 135 Ca 0.08 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 1ru8 h LEU 135 Cb 0.57 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1ru8 h LEU 135 CO 0.03 0.62 0.08 -0.07 0.09 0.00 0.00 178.44 179.19 1ru8 h LEU 136 N 1.05 0.81 -0.38 1.67 3.38 -1.82 -1.71 115.31 118.31 1ru8 h LEU 136 Ca 0.32 -0.17 -0.14 0.00 0.09 0.00 0.00 57.88 57.98 1ru8 h LEU 136 Cb -0.03 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1ru8 h LEU 136 CO -0.10 0.83 -0.29 0.78 0.09 0.00 0.00 178.44 179.75 1ru8 h ASN 137 N 0.81 0.92 0.09 -0.43 2.35 -0.91 -1.86 115.58 116.55 1ru8 h ASN 137 Ca 0.17 -0.44 0.00 0.00 -0.55 0.00 0.00 56.30 55.48 1ru8 h ASN 137 Cb 0.37 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.49 1ru8 h ASN 137 CO 0.01 1.17 0.00 0.18 -1.65 0.00 0.00 177.43 177.13 1ru8 n LEU 138 N -4.16 0.00 -1.32 1.61 4.77 -0.58 -4.83 117.00 112.49 1ru8 n LEU 138 Ca -0.02 0.15 -0.06 0.00 -0.03 0.00 0.00 56.01 56.05 1ru8 n LEU 138 Cb 0.49 -0.15 0.02 0.00 -2.33 0.00 0.00 43.42 41.45 1ru8 n LEU 138 CO 0.47 -0.10 0.06 0.61 -1.33 0.00 0.00 177.39 177.09 1ru8 n GLY 139 N -0.48 0.54 3.76 -0.72 0.00 -0.70 -4.38 105.19 103.23 1ru8 n GLY 139 Ca 0.06 -0.43 -0.40 0.00 0.00 0.00 0.00 46.02 45.25 1ru8 n GLY 139 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ru8 s PHE 140 N -3.08 3.87 -0.44 1.61 2.99 -0.68 -4.42 117.98 117.83 1ru8 s PHE 140 Ca 0.13 1.63 -0.08 0.00 0.00 0.00 0.00 56.93 58.61 1ru8 s PHE 140 Cb -0.06 -2.81 0.10 0.00 0.00 0.00 0.00 43.02 40.25 1ru8 s PHE 140 CO 0.19 0.43 0.28 0.15 -0.00 0.00 0.00 175.22 176.27 1ru8 s LYS 141 N -0.81 2.43 0.16 0.44 -0.14 -0.64 -4.74 119.74 116.44 1ru8 s LYS 141 Ca 0.38 -1.67 0.02 0.00 -1.36 0.00 0.00 55.97 53.33 1ru8 s LYS 141 Cb -0.23 -3.80 0.02 0.00 -1.68 0.00 0.00 37.83 32.14 1ru8 s LYS 141 CO 0.26 -1.08 0.14 -0.89 -0.76 0.00 0.00 175.35 173.01 1ru8 n ILE 142 N 4.85 0.00 -3.93 2.17 5.41 -1.26 -0.49 119.36 126.10 1ru8 n ILE 142 Ca -0.08 -0.64 -0.29 0.00 1.00 0.00 0.00 62.75 62.75 1ru8 n ILE 142 Cb 0.42 -0.43 -0.16 0.00 -0.71 0.00 0.00 39.64 38.76 1ru8 n ILE 142 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1ru8 s VAL 144 N -0.70 1.32 -1.10 1.39 1.01 -0.99 0.09 120.40 121.42 1ru8 s VAL 144 Ca 0.10 -0.76 0.12 0.00 0.00 0.00 0.00 61.98 61.44 1ru8 s VAL 144 Cb -0.01 -1.45 0.28 0.00 0.00 0.00 0.00 36.38 35.21 1ru8 s VAL 144 CO 0.07 0.16 1.20 1.33 0.00 0.00 0.00 175.10 177.86 1ru8 n VAL 145 N 4.80 0.80 -3.64 2.92 0.24 -0.54 -0.58 118.33 122.33 1ru8 n VAL 145 Ca -0.13 -0.90 -0.03 0.00 -2.04 0.00 0.00 64.34 61.24 1ru8 n VAL 145 Cb 0.47 0.65 -0.07 0.00 -1.47 0.00 0.00 33.84 33.43 1ru8 n VAL 145 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1ru8 s GLY 146 N -1.00 0.14 0.32 7.63 0.00 -1.22 -2.15 107.32 111.03 1ru8 s GLY 146 Ca 0.23 3.22 0.10 0.00 0.00 0.00 0.00 44.72 48.27 1ru8 s GLY 146 CO 0.17 2.33 -0.13 -1.34 0.00 0.00 0.00 173.10 174.13 1ru8 s VAL 147 N 0.80 2.34 -0.30 1.40 -7.23 -1.17 0.37 120.40 116.60 1ru8 s VAL 147 Ca -0.03 -2.27 0.01 0.00 -1.81 0.00 0.00 61.98 57.88 1ru8 s VAL 147 Cb -0.04 -2.53 0.05 0.00 0.56 0.00 0.00 36.38 34.42 1ru8 s VAL 147 CO -0.12 -0.27 1.07 -0.24 -0.31 0.00 0.00 175.10 175.23 1ru8 n SER 148 N -0.74 -1.03 -3.69 4.85 2.88 -0.17 -2.22 113.62 113.51 1ru8 n SER 148 Ca -0.05 -1.53 -0.10 0.00 -1.33 0.00 0.00 58.87 55.86 1ru8 n SER 148 Cb 0.62 1.00 -0.11 0.00 -0.75 0.00 0.00 64.21 64.98 1ru8 n SER 148 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ru8 s ALA 149 N 0.01 -1.06 -1.70 -1.46 0.00 -1.25 -4.40 121.76 111.90 1ru8 s ALA 149 Ca 0.03 1.51 0.01 0.00 0.00 0.00 0.00 51.96 53.51 1ru8 s ALA 149 Cb 0.05 -1.02 0.06 0.00 0.00 0.00 0.00 23.12 22.20 1ru8 s ALA 149 CO -0.03 -0.39 0.70 0.66 0.00 0.00 0.00 175.76 176.70 1ru8 n TYR 150 N 4.55 0.00 1.04 0.00 4.01 -1.26 -0.41 117.16 125.09 1ru8 n TYR 150 Ca -0.20 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.66 1ru8 n TYR 150 Cb 0.54 -0.15 0.20 0.00 -0.31 0.00 0.00 39.34 39.62 1ru8 n TYR 150 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ru8 n GLY 151 N -1.07 -1.07 3.04 2.72 0.00 -1.26 -4.92 105.19 102.64 1ru8 n GLY 151 Ca 0.01 -0.41 -0.27 0.00 0.00 0.00 0.00 46.02 45.35 1ru8 n GLY 151 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ru8 n LEU 152 N -1.32 0.00 0.00 0.99 4.77 0.45 -4.98 117.00 116.91 1ru8 n LEU 152 Ca 0.06 -2.70 0.00 0.00 -0.03 0.00 0.00 56.01 53.35 1ru8 n LEU 152 Cb 0.34 0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.84 1ru8 n LEU 152 CO 0.35 -0.39 0.00 -0.90 -1.33 0.00 0.00 177.39 175.12 1ru8 n ASP 153 N -1.33 0.00 0.24 -1.43 5.75 -1.26 -4.83 116.55 113.70 1ru8 n ASP 153 Ca -0.15 -0.75 0.11 0.00 -0.01 0.00 0.00 54.79 53.98 1ru8 n ASP 153 Cb 0.54 0.00 0.62 0.00 -1.03 0.00 0.00 41.12 41.25 1ru8 n ASP 153 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 1ru8 h GLU 154 N 0.00 0.00 -0.70 0.11 -0.00 -1.96 -2.93 114.58 109.09 1ru8 h GLU 154 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 1ru8 h GLU 154 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 28.72 1ru8 h GLU 154 CO 0.00 0.17 0.46 0.66 -0.00 0.00 0.00 179.01 180.30 1ru8 h SER 155 N 0.00 0.81 0.01 3.06 4.64 -2.03 -2.47 113.55 117.58 1ru8 h SER 155 Ca -0.00 -0.03 -0.06 0.00 -0.47 0.00 0.00 61.79 61.24 1ru8 h SER 155 Cb 0.49 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 1ru8 h SER 155 CO 0.02 0.60 -0.14 -0.50 -0.87 0.00 0.00 176.83 175.94 1ru8 h TRP 156 N 0.96 0.29 -1.71 4.77 4.06 -1.94 -3.42 115.95 118.95 1ru8 h TRP 156 Ca 0.26 -0.04 -0.57 0.00 2.06 0.00 0.00 58.89 60.60 1ru8 h TRP 156 Cb -0.10 -0.08 -0.00 0.00 -1.00 0.00 0.00 29.16 27.98 1ru8 h TRP 156 CO 0.00 0.41 1.52 1.28 -3.56 0.00 0.00 178.44 178.10 1ru8 n LEU 157 N -4.25 2.81 0.00 -4.49 4.77 -0.93 -1.65 117.00 113.26 1ru8 n LEU 157 Ca -0.01 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1ru8 n LEU 157 Cb 0.29 -1.51 0.00 0.00 -2.33 0.00 0.00 43.42 39.87 1ru8 n LEU 157 CO 0.38 -0.90 0.00 0.61 -1.33 0.00 0.00 177.39 176.16 1ru8 n GLY 158 N 5.97 0.62 3.84 -0.72 0.00 0.26 -4.99 105.19 110.17 1ru8 n GLY 158 Ca 0.34 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.00 1ru8 n GLY 158 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ru8 s ARG 159 N -0.82 3.95 0.14 1.61 3.52 -0.66 -4.81 118.95 121.88 1ru8 s ARG 159 Ca 0.00 0.44 -0.30 0.00 -0.13 0.00 0.00 55.73 55.74 1ru8 s ARG 159 Cb 0.00 -3.08 -0.07 0.00 -1.56 0.00 0.00 34.95 30.25 1ru8 s ARG 159 CO 0.00 0.58 1.03 0.42 -0.81 0.00 0.00 175.30 176.52 1ru8 s ILE 160 N -1.28 4.18 -0.77 4.11 -1.09 -1.26 -2.35 121.20 122.73 1ru8 s ILE 160 Ca 0.31 1.84 -0.22 0.00 -2.23 0.00 0.00 60.65 60.36 1ru8 s ILE 160 Cb -0.16 -4.18 0.08 0.00 -1.58 0.00 0.00 42.46 36.62 1ru8 s ILE 160 CO 0.17 0.30 1.08 -0.76 -1.23 0.00 0.00 174.94 174.50 1ru8 s LEU 161 N -0.17 4.37 0.00 2.97 1.43 0.11 -4.83 118.68 122.56 1ru8 s LEU 161 Ca 0.48 -1.26 0.00 0.00 -1.03 0.00 0.00 54.13 52.32 1ru8 s LEU 161 Cb -0.26 -2.44 0.00 0.00 0.03 0.00 0.00 46.19 43.52 1ru8 s LEU 161 CO 0.32 -1.39 0.00 -0.90 0.23 0.00 0.00 176.35 174.62 1ru8 n ASP 162 N 7.66 0.63 0.09 2.29 5.68 -1.26 -4.57 116.55 127.07 1ru8 n ASP 162 Ca 0.07 -0.42 -0.12 0.00 -0.50 0.00 0.00 54.79 53.83 1ru8 n ASP 162 Cb 0.47 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.40 1ru8 n ASP 162 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1ru8 h GLU 163 N 0.00 -0.34 -0.77 0.11 4.39 -1.99 -1.89 114.58 114.09 1ru8 h GLU 163 Ca 0.00 0.02 0.13 0.00 0.34 0.00 0.00 59.36 59.86 1ru8 h GLU 163 Cb 0.00 0.08 -0.09 0.00 -0.10 0.00 0.00 28.75 28.64 1ru8 h GLU 163 CO 0.00 -0.22 0.35 1.03 -1.16 0.00 0.00 179.01 179.00 1ru8 h SER 164 N -0.35 0.38 -0.43 1.42 0.87 -1.97 -1.67 113.55 111.79 1ru8 h SER 164 Ca 0.03 0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.65 1ru8 h SER 164 Cb 0.38 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.37 1ru8 h SER 164 CO -0.12 0.16 0.13 0.00 -0.53 0.00 0.00 176.83 176.47 1ru8 h ALA 165 N 1.53 1.30 -0.14 6.23 0.00 -1.73 -2.83 119.26 123.62 1ru8 h ALA 165 Ca 0.42 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1ru8 h ALA 165 Cb 0.59 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1ru8 h ALA 165 CO -0.37 0.50 0.04 1.25 0.00 0.00 0.00 179.25 180.67 1ru8 h LEU 166 N 0.73 0.20 -0.16 0.00 6.46 -0.54 -2.32 115.31 119.68 1ru8 h LEU 166 Ca 0.16 -0.20 0.05 0.00 -0.12 0.00 0.00 57.88 57.77 1ru8 h LEU 166 Cb 0.25 -0.05 -0.07 0.00 -0.73 0.00 0.00 40.66 40.06 1ru8 h LEU 166 CO -0.00 0.35 -0.36 -0.33 -0.62 0.00 0.00 178.44 177.47 1ru8 h GLU 167 N 0.05 -0.41 -0.49 1.25 3.07 -1.31 0.13 114.58 116.87 1ru8 h GLU 167 Ca 0.05 0.03 0.10 0.00 -0.50 0.00 0.00 59.36 59.03 1ru8 h GLU 167 Cb 0.22 0.09 -0.08 0.00 -0.84 0.00 0.00 28.75 28.14 1ru8 h GLU 167 CO -0.00 -0.27 -0.03 0.93 -1.40 0.00 0.00 179.01 178.24 1ru8 h GLU 168 N -0.42 0.08 -0.04 2.33 5.08 -1.43 0.19 114.58 120.37 1ru8 h GLU 168 Ca 0.09 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1ru8 h GLU 168 Cb 0.58 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 1ru8 h GLU 168 CO -0.39 0.05 0.03 -0.07 -1.00 0.00 0.00 179.01 177.63 1ru8 h LEU 169 N 0.08 0.02 -0.21 1.33 3.38 -0.68 0.34 115.31 119.57 1ru8 h LEU 169 Ca 0.24 -0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.03 1ru8 h LEU 169 Cb 0.37 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1ru8 h LEU 169 CO -0.43 0.02 -0.59 0.40 0.09 0.00 0.00 178.44 177.92 1ru8 h ILE 170 N 0.03 1.29 0.02 1.22 2.04 0.19 -2.15 117.51 120.15 1ru8 h ILE 170 Ca 0.02 -1.80 -0.00 0.00 1.00 0.00 0.00 64.86 64.08 1ru8 h ILE 170 Cb 0.03 1.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.96 1ru8 h ILE 170 CO -0.00 0.57 -0.01 0.74 0.00 0.00 0.00 178.15 179.45 1ru8 h THR 171 N 0.50 1.29 -0.09 -0.27 2.02 0.16 -1.01 112.91 115.51 1ru8 h THR 171 Ca -0.01 -0.96 0.03 0.00 0.77 0.00 0.00 66.41 66.24 1ru8 h THR 171 Cb 1.21 1.93 -0.00 0.00 -1.74 0.00 0.00 68.15 69.55 1ru8 h THR 171 CO 0.13 0.24 0.16 -0.07 0.37 0.00 0.00 175.52 176.36 1ru8 h LEU 172 N -0.44 0.00 0.20 2.58 3.38 -0.42 0.21 115.31 120.82 1ru8 h LEU 172 Ca -0.00 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.65 1ru8 h LEU 172 Cb 0.42 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.20 1ru8 h LEU 172 CO 0.00 0.00 -1.40 -1.13 0.09 0.00 0.00 178.44 176.01 1ru8 h ASN 173 N 0.00 0.67 0.04 -0.43 -0.73 -1.04 -0.68 115.58 113.41 1ru8 h ASN 173 Ca 0.04 -0.73 0.00 0.00 1.87 0.00 0.00 56.30 57.49 1ru8 h ASN 173 Cb 0.37 -0.22 0.00 0.00 0.27 0.00 0.00 38.32 38.74 1ru8 h ASN 173 CO -0.00 1.57 0.00 -0.62 -0.37 0.00 0.00 177.43 178.01 1ru8 n GLU 174 N -3.64 0.69 0.00 6.67 1.02 0.65 -1.18 120.64 124.85 1ru8 n GLU 174 Ca -0.14 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.01 1ru8 n GLU 174 Cb 1.07 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.99 1ru8 n GLU 174 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1ru8 n LYS 175 N -1.02 0.00 -0.00 3.49 5.02 -0.74 -4.81 118.16 120.09 1ru8 n LYS 175 Ca 0.17 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.60 1ru8 n LYS 175 Cb 0.09 -0.01 0.64 0.00 -0.02 0.00 0.00 35.03 35.73 1ru8 n LYS 175 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1ru8 n TYR 176 N -2.51 0.01 -3.41 2.13 4.02 -0.29 -4.94 117.16 112.16 1ru8 n TYR 176 Ca 0.00 -0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.72 1ru8 n TYR 176 Cb 0.00 0.00 0.09 0.00 -0.02 0.00 0.00 39.34 39.41 1ru8 n TYR 176 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 1ru8 n LYS 177 N -0.16 -6.03 -3.30 -0.72 3.00 -0.32 -4.94 118.16 105.69 1ru8 n LYS 177 Ca 0.20 0.85 -0.40 0.00 -0.00 0.00 0.00 58.31 58.96 1ru8 n LYS 177 Cb 0.28 -5.85 -0.08 0.00 0.00 0.00 0.00 35.03 29.38 1ru8 n LYS 177 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1ru8 s VAL 178 N -3.37 5.11 -0.20 3.15 -7.23 -1.21 -4.94 120.40 111.72 1ru8 s VAL 178 Ca 0.06 0.73 -0.36 0.00 -1.81 0.00 0.00 61.98 60.60 1ru8 s VAL 178 Cb -0.01 -3.77 -0.12 0.00 0.56 0.00 0.00 36.38 33.03 1ru8 s VAL 178 CO 0.73 0.11 1.92 1.57 -0.31 0.00 0.00 175.10 179.12 1ru8 n HIS 179 N 5.45 2.11 0.30 2.82 -0.00 -1.26 -4.15 115.22 120.49 1ru8 n HIS 179 Ca -0.06 0.19 0.16 0.00 0.46 0.00 0.00 57.72 58.47 1ru8 n HIS 179 Cb 0.50 -2.59 0.95 0.00 -0.12 0.00 0.00 29.99 28.73 1ru8 n HIS 179 CO 0.00 0.00 0.00 -0.24 0.46 0.00 0.00 176.34 176.56 1ru8 h VAL 180 N 5.78 0.40 -0.46 3.57 3.04 -1.94 -1.44 116.25 125.22 1ru8 h VAL 180 Ca -0.44 -0.11 0.00 0.00 -1.01 0.00 0.00 66.70 65.14 1ru8 h VAL 180 Cb 1.29 1.08 0.00 0.00 -2.01 0.00 0.00 31.29 31.65 1ru8 h VAL 180 CO 0.97 0.02 0.00 0.00 -1.01 0.00 0.00 177.57 177.55 1ru8 n ALA 181 N -2.26 2.43 -0.82 3.17 0.00 -1.26 -4.92 120.51 116.85 1ru8 n ALA 181 Ca -0.03 -0.96 0.00 0.00 0.00 0.00 0.00 53.44 52.45 1ru8 n ALA 181 Cb 0.11 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.62 1ru8 n ALA 181 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ru8 n GLY 182 N 1.44 1.18 3.66 0.00 0.00 -0.54 -4.98 105.19 105.96 1ru8 n GLY 182 Ca 0.19 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.76 1ru8 n GLY 182 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ru8 n GLU 183 N -2.00 1.95 -0.27 1.61 4.71 -1.26 -2.51 120.64 122.87 1ru8 n GLU 183 Ca 0.00 0.70 0.00 0.00 -0.01 0.00 0.00 57.16 57.85 1ru8 n GLU 183 Cb 0.00 -2.36 0.00 0.00 -1.01 0.00 0.00 31.44 28.07 1ru8 n GLU 183 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1ru8 n GLY 184 N 2.40 1.05 3.01 0.62 0.00 -1.26 -4.21 105.19 106.81 1ru8 n GLY 184 Ca 0.13 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1ru8 n GLY 184 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ru8 n GLY 185 N -1.93 0.71 0.33 -0.02 0.00 -1.13 -4.89 105.19 98.26 1ru8 n GLY 185 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 1ru8 n GLY 185 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ru8 h GLU 186 N 2.04 0.00 -2.52 1.61 4.39 -1.66 -3.36 114.58 115.09 1ru8 h GLU 186 Ca 0.00 -0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.76 1ru8 h GLU 186 Cb 0.04 -0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 28.55 1ru8 h GLU 186 CO 0.00 0.00 0.39 -0.59 -1.16 0.00 0.00 179.01 177.65 1ru8 s PHE 187 N -6.24 -0.42 0.28 4.33 -0.71 -1.25 -1.00 117.98 112.97 1ru8 s PHE 187 Ca -0.15 0.28 0.08 0.00 -1.04 0.00 0.00 56.93 56.10 1ru8 s PHE 187 Cb 0.25 0.54 -0.04 0.00 -1.21 0.00 0.00 43.02 42.57 1ru8 s PHE 187 CO 0.77 -0.65 0.12 -2.00 -1.34 0.00 0.00 175.22 172.12 1ru8 s GLU 188 N -3.28 2.57 0.14 1.99 2.12 0.16 -4.79 118.70 117.61 1ru8 s GLU 188 Ca 0.03 -1.30 0.00 0.00 0.36 0.00 0.00 54.97 54.06 1ru8 s GLU 188 Cb -0.01 -2.34 -0.04 0.00 0.26 0.00 0.00 34.13 32.00 1ru8 s GLU 188 CO -0.10 0.31 0.03 0.95 -0.54 0.00 0.00 175.26 175.90 1ru8 s THR 189 N -2.27 0.38 -0.12 -1.70 -4.23 -1.26 -1.47 115.64 104.96 1ru8 s THR 189 Ca 0.34 -1.94 -0.04 0.00 -1.18 0.00 0.00 61.69 58.88 1ru8 s THR 189 Cb -0.06 -2.05 0.06 0.00 1.34 0.00 0.00 72.50 71.79 1ru8 s THR 189 CO 0.23 -0.50 0.16 0.12 -0.54 0.00 0.00 174.62 174.08 1ru8 s PHE 190 N -3.86 -0.15 -0.35 3.99 5.36 -1.26 -3.63 117.98 118.08 1ru8 s PHE 190 Ca 0.23 0.41 -0.29 0.00 -0.96 0.00 0.00 56.93 56.32 1ru8 s PHE 190 Cb 0.07 -0.34 0.01 0.00 -0.34 0.00 0.00 43.02 42.42 1ru8 s PHE 190 CO 0.02 -0.36 1.16 0.08 -1.46 0.00 0.00 175.22 174.66 1ru8 s VAL 191 N 2.28 4.32 -0.02 3.12 1.01 -0.93 -4.53 120.40 125.65 1ru8 s VAL 191 Ca 0.04 1.48 -0.05 0.00 0.00 0.00 0.00 61.98 63.45 1ru8 s VAL 191 Cb -0.13 -4.37 -0.28 0.00 0.00 0.00 0.00 36.38 31.59 1ru8 s VAL 191 CO -0.07 -0.59 0.79 -0.07 0.00 0.00 0.00 175.10 175.15 1ru8 h LEU 192 N 10.61 0.44 -8.58 3.92 3.38 -1.13 -3.48 115.31 120.46 1ru8 h LEU 192 Ca -0.23 -0.64 -0.27 0.00 0.09 0.00 0.00 57.88 56.84 1ru8 h LEU 192 Cb 1.07 -0.14 -0.12 0.00 0.09 0.00 0.00 40.66 41.56 1ru8 h LEU 192 CO 1.05 1.54 -0.40 -0.62 0.09 0.00 0.00 178.44 180.10 1ru8 s ASP 193 N -7.04 0.62 0.29 -0.43 3.68 -1.20 -1.73 116.67 110.87 1ru8 s ASP 193 Ca -0.11 -1.41 0.02 0.00 2.13 0.00 0.00 52.55 53.18 1ru8 s ASP 193 Cb 0.06 0.52 0.44 0.00 -1.45 0.00 0.00 42.92 42.49 1ru8 s ASP 193 CO 0.85 -1.05 1.75 1.55 0.13 0.00 0.00 175.17 178.40 1ru8 h PRO 195 N 2.33 0.51 0.00 4.34 0.13 -1.77 -1.71 132.00 135.83 1ru8 h PRO 195 Ca -0.30 -0.17 -0.17 0.00 -0.87 0.00 0.00 66.00 64.49 1ru8 h PRO 195 Cb 1.24 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 1ru8 h PRO 195 CO 0.43 0.68 -0.81 -0.07 -0.23 0.00 0.00 178.00 178.00 1ru8 h LEU 196 N 0.46 0.00 -9.45 1.56 3.38 -1.98 -3.45 115.31 105.83 1ru8 h LEU 196 Ca 0.08 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.47 1ru8 h LEU 196 Cb 0.59 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.38 1ru8 h LEU 196 CO 0.04 0.81 0.97 0.49 0.09 0.00 0.00 178.44 180.84 1ru8 n PHE 197 N -3.33 2.41 0.48 1.13 0.99 -1.26 -4.82 117.46 113.06 1ru8 n PHE 197 Ca 0.01 0.07 0.12 0.00 -0.00 0.00 0.00 57.45 57.65 1ru8 n PHE 197 Cb 0.85 -2.63 0.22 0.00 -1.00 0.00 0.00 39.48 36.92 1ru8 n PHE 197 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.76 177.63 1ru8 h LYS 198 N 7.52 0.00 -4.86 -1.08 1.57 -0.84 -3.45 116.57 115.43 1ru8 h LYS 198 Ca -0.46 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 57.99 1ru8 h LYS 198 Cb 1.25 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.34 1ru8 h LYS 198 CO 0.92 0.00 -0.75 0.71 -0.57 0.00 0.00 179.45 179.76 1ru8 s TYR 199 N -3.18 0.88 -0.06 -1.35 1.51 -1.22 -3.69 117.35 110.24 1ru8 s TYR 199 Ca 0.07 -0.49 -0.11 0.00 -1.01 0.00 0.00 57.07 55.53 1ru8 s TYR 199 Cb 0.11 -0.51 -0.05 0.00 -0.11 0.00 0.00 41.96 41.41 1ru8 s TYR 199 CO 0.68 -0.03 0.28 0.21 -1.11 0.00 0.00 175.55 175.59 1ru8 s LYS 200 N -1.65 3.73 -0.04 -0.62 2.20 -0.50 -4.85 119.74 118.00 1ru8 s LYS 200 Ca -0.07 0.16 -0.12 0.00 -0.36 0.00 0.00 55.97 55.58 1ru8 s LYS 200 Cb -0.10 -3.22 -0.05 0.00 -1.51 0.00 0.00 37.83 32.95 1ru8 s LYS 200 CO 0.01 0.71 0.32 0.42 -0.36 0.00 0.00 175.35 176.45 1ru8 s ILE 201 N -0.97 5.19 -0.09 5.43 1.01 -0.70 -0.63 121.20 130.43 1ru8 s ILE 201 Ca 0.19 0.63 -0.01 0.00 0.00 0.00 0.00 60.65 61.47 1ru8 s ILE 201 Cb -0.14 -3.61 0.03 0.00 0.01 0.00 0.00 42.46 38.74 1ru8 s ILE 201 CO 0.09 0.58 -0.04 -0.69 0.00 0.00 0.00 174.94 174.88 1ru8 s VAL 202 N -1.00 0.74 -0.11 2.92 1.01 0.37 -4.76 120.40 119.57 1ru8 s VAL 202 Ca 0.21 -0.12 -0.27 0.00 0.00 0.00 0.00 61.98 61.80 1ru8 s VAL 202 Cb -0.15 -0.81 -0.02 0.00 0.00 0.00 0.00 36.38 35.40 1ru8 s VAL 202 CO 0.10 0.32 0.89 -0.69 0.00 0.00 0.00 175.10 175.71 1ru8 s VAL 203 N 1.74 4.87 -0.25 2.92 1.01 -1.26 -0.92 120.40 128.51 1ru8 s VAL 203 Ca 0.03 1.79 -0.05 0.00 0.00 0.00 0.00 61.98 63.75 1ru8 s VAL 203 Cb -0.13 -4.20 -0.16 0.00 0.00 0.00 0.00 36.38 31.89 1ru8 s VAL 203 CO -0.06 0.07 -0.19 0.47 0.00 0.00 0.00 175.10 175.39 1ru8 n ASP 204 N 4.76 1.98 -4.00 3.32 8.00 0.57 -4.93 116.55 126.26 1ru8 n ASP 204 Ca 0.05 0.08 -0.26 0.00 0.71 0.00 0.00 54.79 55.37 1ru8 n ASP 204 Cb 0.49 -0.62 -0.17 0.00 -0.02 0.00 0.00 41.12 40.81 1ru8 n ASP 204 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1ru8 s LYS 205 N -2.51 1.73 -0.06 -1.24 2.20 -0.21 -4.93 119.74 114.72 1ru8 s LYS 205 Ca -0.35 -0.40 0.02 0.00 -0.36 0.00 0.00 55.97 54.88 1ru8 s LYS 205 Cb 0.11 -1.51 0.02 0.00 -1.51 0.00 0.00 37.83 34.93 1ru8 s LYS 205 CO 0.58 -0.05 -0.09 0.00 -0.36 0.00 0.00 175.35 175.43 1ru8 s ALA 206 N 0.93 1.02 -0.21 3.13 0.00 -1.26 -0.50 121.76 124.88 1ru8 s ALA 206 Ca -0.09 -0.27 0.01 0.00 0.00 0.00 0.00 51.96 51.61 1ru8 s ALA 206 Cb -0.15 -0.51 0.04 0.00 0.00 0.00 0.00 23.12 22.50 1ru8 s ALA 206 CO 0.00 0.05 -0.11 0.21 0.00 0.00 0.00 175.76 175.91 1ru8 s LYS 207 N 0.79 2.14 -0.15 0.00 2.20 -0.25 -4.96 119.74 119.51 1ru8 s LYS 207 Ca -0.13 -0.91 -0.03 0.00 -0.36 0.00 0.00 55.97 54.54 1ru8 s LYS 207 Cb -0.15 -2.49 -0.03 0.00 -1.51 0.00 0.00 37.83 33.65 1ru8 s LYS 207 CO 0.02 -0.43 -0.04 -1.59 -0.36 0.00 0.00 175.35 172.95 1ru8 s LYS 208 N 1.35 3.57 -0.41 4.03 -2.85 -1.26 0.43 119.74 124.60 1ru8 s LYS 208 Ca -0.02 -0.52 -0.05 0.00 -1.00 0.00 0.00 55.97 54.38 1ru8 s LYS 208 Cb -0.16 -2.88 0.10 0.00 -2.06 0.00 0.00 37.83 32.83 1ru8 s LYS 208 CO -0.08 0.29 0.22 0.54 0.10 0.00 0.00 175.35 176.42 1ru8 s VAL 209 N 0.22 3.62 0.29 1.79 0.11 0.47 -4.96 120.40 121.95 1ru8 s VAL 209 Ca -0.03 -1.79 0.06 0.00 -2.93 0.00 0.00 61.98 57.30 1ru8 s VAL 209 Cb -0.14 -3.36 -0.02 0.00 -1.53 0.00 0.00 36.38 31.33 1ru8 s VAL 209 CO 0.03 -0.60 0.35 0.86 -3.33 0.00 0.00 175.10 172.41 1ru8 s TRP 210 N 1.25 3.18 -0.18 1.54 -0.00 -1.26 -2.55 118.94 120.91 1ru8 s TRP 210 Ca 0.05 -0.15 0.01 0.00 -0.00 0.00 0.00 56.10 56.01 1ru8 s TRP 210 Cb -0.23 -1.72 0.03 0.00 -0.00 0.00 0.00 33.47 31.55 1ru8 s TRP 210 CO -0.02 0.26 -0.15 -2.00 -0.00 0.00 0.00 176.95 175.04 1ru8 s GLU 211 N -4.02 2.53 0.03 5.86 2.56 0.10 -4.96 118.70 120.80 1ru8 s GLU 211 Ca 0.39 -0.82 -0.29 0.00 0.00 0.00 0.00 54.97 54.24 1ru8 s GLU 211 Cb -0.08 -2.46 -0.17 0.00 2.00 0.00 0.00 34.13 33.42 1ru8 s GLU 211 CO 0.28 -0.30 1.33 -1.00 -0.56 0.00 0.00 175.26 175.01 1ru8 h PRO 212 N 7.96 -0.84 -0.95 4.30 0.13 -1.96 -3.30 132.00 137.34 1ru8 h PRO 212 Ca -0.37 0.06 0.19 0.00 -0.87 0.00 0.00 66.00 65.00 1ru8 h PRO 212 Cb 1.12 0.19 -0.18 0.00 0.13 0.00 0.00 31.00 32.26 1ru8 h PRO 212 CO 0.56 -0.52 -0.24 0.00 -0.23 0.00 0.00 178.00 177.57 1ru8 n THR 214 N -5.60 0.00 -0.09 0.00 -2.24 -1.24 -5.04 114.28 100.07 1ru8 n THR 214 Ca 0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 1ru8 n THR 214 Cb 0.47 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 1ru8 n THR 214 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1ru8 n SER 215 N 0.00 0.53 -4.56 3.42 2.88 -1.26 -4.86 113.62 109.77 1ru8 n SER 215 Ca 0.00 -0.78 -0.53 0.00 -1.33 0.00 0.00 58.87 56.23 1ru8 n SER 215 Cb 0.00 0.32 -0.07 0.00 -0.75 0.00 0.00 64.21 63.71 1ru8 n SER 215 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ru8 n SER 216 N -0.32 2.37 -4.15 -3.46 7.64 -1.26 -3.70 113.62 110.74 1ru8 n SER 216 Ca 0.00 0.72 -0.11 0.00 1.01 0.00 0.00 58.87 60.49 1ru8 n SER 216 Cb 0.02 -1.23 -0.09 0.00 -1.01 0.00 0.00 64.21 61.90 1ru8 n SER 216 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1ru8 s GLY 217 N 5.59 1.11 -0.29 0.23 0.00 -0.94 0.01 107.32 113.02 1ru8 s GLY 217 Ca 1.04 -1.49 -0.19 0.00 0.00 0.00 0.00 44.72 44.08 1ru8 s GLY 217 CO 0.55 -1.29 1.00 1.25 0.00 0.00 0.00 173.10 174.61 1ru8 s LYS 218 N -4.09 0.42 -0.24 2.90 2.20 -1.06 -3.06 119.74 116.82 1ru8 s LYS 218 Ca 0.30 0.63 -0.09 0.00 -0.36 0.00 0.00 55.97 56.45 1ru8 s LYS 218 Cb 0.06 0.13 -0.04 0.00 -1.51 0.00 0.00 37.83 36.48 1ru8 s LYS 218 CO 0.06 -0.07 0.11 -1.17 -0.36 0.00 0.00 175.35 173.92 1ru8 s LEU 219 N 0.93 3.82 -0.31 5.43 2.96 -0.92 -0.39 118.68 130.19 1ru8 s LEU 219 Ca -0.04 -0.02 -0.09 0.00 -0.22 0.00 0.00 54.13 53.76 1ru8 s LEU 219 Cb -0.04 -2.02 -0.01 0.00 0.50 0.00 0.00 46.19 44.62 1ru8 s LEU 219 CO -0.12 0.04 0.15 -0.63 -1.32 0.00 0.00 176.35 174.47 1ru8 s ILE 220 N 1.19 4.56 -0.37 6.68 1.01 0.17 -4.88 121.20 129.56 1ru8 s ILE 220 Ca 0.06 -0.44 -0.29 0.00 0.00 0.00 0.00 60.65 59.98 1ru8 s ILE 220 Cb -0.14 -3.33 0.01 0.00 0.01 0.00 0.00 42.46 39.01 1ru8 s ILE 220 CO 0.05 0.07 1.28 -0.63 0.00 0.00 0.00 174.94 175.71 1ru8 s ILE 221 N 1.61 4.12 -0.08 2.92 -1.09 -1.26 -1.09 121.20 126.32 1ru8 s ILE 221 Ca 0.04 1.21 0.04 0.00 -2.23 0.00 0.00 60.65 59.71 1ru8 s ILE 221 Cb -0.17 -4.28 -0.25 0.00 -1.58 0.00 0.00 42.46 36.18 1ru8 s ILE 221 CO 0.06 -0.66 0.53 -0.62 -1.23 0.00 0.00 174.94 173.02 1ru8 n GLU 222 N 7.60 0.69 -3.75 2.79 1.02 0.34 -3.62 120.64 125.71 1ru8 n GLU 222 Ca 0.14 0.28 -0.13 0.00 -0.02 0.00 0.00 57.16 57.43 1ru8 n GLU 222 Cb 0.47 -1.76 -0.14 0.00 -0.02 0.00 0.00 31.44 30.00 1ru8 n GLU 222 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1ru8 s GLU 223 N -2.58 0.13 0.08 3.49 2.02 -1.00 -4.56 118.70 116.28 1ru8 s GLU 223 Ca -0.13 0.39 -0.19 0.00 0.02 0.00 0.00 54.97 55.06 1ru8 s GLU 223 Cb 0.07 -0.14 0.04 0.00 0.10 0.00 0.00 34.13 34.21 1ru8 s GLU 223 CO 0.80 -0.15 0.45 0.00 0.02 0.00 0.00 175.26 176.38 1ru8 s ALA 224 N 1.07 -1.11 0.20 5.21 0.00 -1.26 0.21 121.76 126.07 1ru8 s ALA 224 Ca -0.08 0.28 -0.09 0.00 0.00 0.00 0.00 51.96 52.07 1ru8 s ALA 224 Cb -0.10 0.51 -0.01 0.00 0.00 0.00 0.00 23.12 23.52 1ru8 s ALA 224 CO -0.06 -0.55 0.34 -3.38 0.00 0.00 0.00 175.76 172.10 1ru8 s HIS 225 N -3.00 0.47 -0.10 0.00 -3.43 -0.09 -4.91 115.29 104.22 1ru8 s HIS 225 Ca -0.02 -0.81 -0.06 0.00 -0.80 0.00 0.00 55.06 53.37 1ru8 s HIS 225 Cb 0.00 -0.02 -0.04 0.00 -1.43 0.00 0.00 32.58 31.09 1ru8 s HIS 225 CO -0.06 -0.81 0.14 -0.51 -2.00 0.00 0.00 174.74 171.50 1ru8 s LEU 226 N -3.01 4.34 -0.09 5.38 1.43 -1.26 -0.48 118.68 125.00 1ru8 s LEU 226 Ca 0.22 0.43 0.03 0.00 -1.03 0.00 0.00 54.13 53.78 1ru8 s LEU 226 Cb 0.02 -2.13 0.01 0.00 0.03 0.00 0.00 46.19 44.13 1ru8 s LEU 226 CO 0.04 0.39 -0.17 -1.61 0.23 0.00 0.00 176.35 175.23 1ru8 s GLU 227 N -1.14 2.32 0.80 1.70 2.02 0.20 -4.95 118.70 119.65 1ru8 s GLU 227 Ca 0.17 -0.62 -0.14 0.00 0.02 0.00 0.00 54.97 54.40 1ru8 s GLU 227 Cb -0.12 -1.86 0.05 0.00 0.10 0.00 0.00 34.13 32.29 1ru8 s GLU 227 CO 0.06 0.05 0.96 0.43 0.02 0.00 0.00 175.26 176.77 1ru8 n SER 228 N 3.84 0.19 -3.88 -0.19 7.64 -1.26 -1.41 113.62 118.54 1ru8 n SER 228 Ca -0.20 0.57 -0.30 0.00 1.01 0.00 0.00 58.87 59.94 1ru8 n SER 228 Cb 0.52 -1.41 -0.15 0.00 -1.01 0.00 0.00 64.21 62.16 1ru8 n SER 228 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1ru8 s LYS 229 N -3.72 1.21 0.00 1.43 1.02 -1.24 -4.77 119.74 113.66 1ru8 s LYS 229 Ca 0.70 -1.28 0.12 0.00 0.02 0.00 0.00 55.97 55.53 1ru8 s LYS 229 Cb -0.30 -2.54 0.55 0.00 -0.52 0.00 0.00 37.83 35.02 1ru8 s LYS 229 CO 0.54 -0.85 1.38 -0.11 -0.92 0.00 0.00 175.35 175.39 1ru8 n LEU 230 N 4.62 0.71 0.23 3.17 -0.00 -1.26 -3.72 117.00 120.74 1ru8 n LEU 230 Ca -0.03 -0.33 0.06 0.00 -0.00 0.00 0.00 56.01 55.71 1ru8 n LEU 230 Cb 0.43 -0.07 0.52 0.00 -0.00 0.00 0.00 43.42 44.30 1ru8 n LEU 230 CO 0.17 0.16 0.91 1.05 -0.00 0.00 0.00 177.39 179.68 1ru8 h GLU 231 N 0.85 0.00 0.00 1.96 9.09 -1.98 -3.56 114.58 120.94 1ru8 h GLU 231 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1ru8 h GLU 231 Cb 0.19 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.29 1ru8 h GLU 231 CO 0.00 0.17 0.00 -2.39 0.05 0.00 0.00 179.01 176.84