#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oo4 n MET 2 N 0.00 0.00 -3.48 1.61 0.00 -1.26 -4.75 117.12 109.23 1oo4 n MET 2 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 57.70 57.47 1oo4 n MET 2 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 33.22 33.25 1oo4 n MET 2 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 175.97 177.18 1oo4 s ASN 3 N -0.84 4.85 -1.21 6.12 3.84 -1.26 -5.04 114.94 121.40 1oo4 s ASN 3 Ca 0.00 -1.07 -0.18 0.00 0.21 0.00 0.00 52.86 51.82 1oo4 s ASN 3 Cb 0.00 0.38 -0.02 0.00 -0.55 0.00 0.00 41.25 41.06 1oo4 s ASN 3 CO 0.00 -1.23 2.01 -3.20 -2.79 0.00 0.00 177.10 171.89 1oo4 n ASN 4 N -2.00 3.62 0.00 -4.21 5.15 -1.26 -4.01 115.26 112.55 1oo4 n ASN 4 Ca 0.07 -2.80 0.00 0.00 -0.60 0.00 0.00 54.58 51.25 1oo4 n ASN 4 Cb 0.63 -1.54 0.00 0.00 -0.53 0.00 0.00 39.78 38.34 1oo4 n ASN 4 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1oo4 n ASN 5 N 7.98 0.00 -2.31 1.20 2.85 -1.26 -5.15 115.26 118.57 1oo4 n ASN 5 Ca 0.50 0.00 -0.02 0.00 -0.11 0.00 0.00 54.58 54.95 1oo4 n ASN 5 Cb 0.42 0.13 0.00 0.00 1.24 0.00 0.00 39.78 41.57 1oo4 n ASN 5 CO 0.00 0.00 0.00 0.23 -2.11 0.00 0.00 177.26 175.38 1oo4 n MET 6 N -2.14 -0.99 -3.00 1.20 2.81 -1.26 -4.97 117.12 108.77 1oo4 n MET 6 Ca 0.00 1.21 0.01 0.00 -1.81 0.00 0.00 57.70 57.10 1oo4 n MET 6 Cb 0.00 -3.83 -0.00 0.00 -0.71 0.00 0.00 33.22 28.68 1oo4 n MET 6 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1oo4 s SER 7 N -2.25 -1.07 0.00 7.83 0.01 -1.24 -4.74 113.70 112.24 1oo4 s SER 7 Ca 0.06 -0.64 0.00 0.00 1.31 0.00 0.00 55.95 56.69 1oo4 s SER 7 Cb -0.02 1.37 0.00 0.00 0.21 0.00 0.00 66.02 67.58 1oo4 s SER 7 CO 0.42 -0.11 0.00 -0.11 0.41 0.00 0.00 173.24 173.85 1oo4 n LEU 8 N 3.96 0.00 -0.22 2.44 -0.00 -1.26 -4.86 117.00 117.06 1oo4 n LEU 8 Ca 0.10 0.00 0.09 0.00 -0.00 0.00 0.00 56.01 56.20 1oo4 n LEU 8 Cb 0.59 0.19 0.36 0.00 -0.00 0.00 0.00 43.42 44.57 1oo4 n LEU 8 CO -0.04 -0.19 1.22 0.06 -0.00 0.00 0.00 177.39 178.44 1oo4 h GLN 9 N 0.00 0.71 -2.69 1.96 -0.00 -1.95 -3.29 115.11 109.85 1oo4 h GLN 9 Ca 0.00 -0.04 -0.62 0.00 -0.00 0.00 0.00 58.65 57.99 1oo4 h GLN 9 Cb 0.00 -0.16 -0.42 0.00 -0.00 0.00 0.00 27.48 26.90 1oo4 h GLN 9 CO 0.00 0.47 -0.54 -0.40 -0.00 0.00 0.00 178.83 178.36 1oo4 n ASP 10 N -4.51 3.47 0.00 0.06 3.85 -1.26 -4.68 116.55 113.48 1oo4 n ASP 10 Ca 0.14 -3.32 0.00 0.00 -0.71 0.00 0.00 54.79 50.89 1oo4 n ASP 10 Cb 0.33 -0.74 0.00 0.00 -1.35 0.00 0.00 41.12 39.36 1oo4 n ASP 10 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1oo4 n ALA 11 N 1.45 0.00 -0.65 2.12 0.00 -1.24 -3.67 120.51 118.51 1oo4 n ALA 11 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1oo4 n ALA 11 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 1oo4 n ALA 11 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1oo4 n GLU 12 N 0.00 0.00 0.00 0.00 4.71 -1.26 -4.60 120.64 119.49 1oo4 n GLU 12 Ca 0.00 0.04 0.06 0.00 -0.01 0.00 0.00 57.16 57.25 1oo4 n GLU 12 Cb 0.00 -0.30 0.35 0.00 -1.01 0.00 0.00 31.44 30.48 1oo4 n GLU 12 CO 0.00 0.00 0.00 -2.67 0.09 0.00 0.00 177.13 174.55 1oo4 n TRP 13 N -1.64 0.00 -2.83 -0.32 2.14 -1.26 -4.86 117.44 108.67 1oo4 n TRP 13 Ca 0.00 0.00 -0.44 0.00 2.07 0.00 0.00 57.50 59.13 1oo4 n TRP 13 Cb 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 31.31 30.50 1oo4 n TRP 13 CO 0.00 0.00 0.00 0.71 2.07 0.00 0.00 177.69 180.47 1oo4 s TYR 14 N -2.00 3.26 -0.11 -2.67 1.51 -1.26 -4.66 117.35 111.42 1oo4 s TYR 14 Ca 0.18 -1.94 -0.07 0.00 -1.01 0.00 0.00 57.07 54.23 1oo4 s TYR 14 Cb 0.08 -4.45 -0.02 0.00 -0.11 0.00 0.00 41.96 37.46 1oo4 s TYR 14 CO 0.14 -1.53 -0.13 0.11 -1.11 0.00 0.00 175.55 173.02 1oo4 h TRP 15 N 7.38 0.00 -3.60 2.71 5.08 -1.83 -3.38 115.95 122.31 1oo4 h TRP 15 Ca 0.35 0.00 -0.15 0.00 1.08 0.00 0.00 58.89 60.17 1oo4 h TRP 15 Cb 0.88 0.00 0.07 0.00 -3.00 0.00 0.00 29.16 27.11 1oo4 h TRP 15 CO 1.20 0.00 -0.34 0.41 -1.28 0.00 0.00 178.44 178.43 1oo4 n GLY 16 N 1.65 0.10 2.43 11.11 0.00 -0.90 -4.94 105.19 114.63 1oo4 n GLY 16 Ca -0.05 -0.22 -0.21 0.00 0.00 0.00 0.00 46.02 45.53 1oo4 n GLY 16 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1oo4 n ASP 17 N -1.88 1.99 -3.65 1.61 2.03 -1.26 -4.23 116.55 111.17 1oo4 n ASP 17 Ca -0.12 -3.21 -0.09 0.00 0.52 0.00 0.00 54.79 51.88 1oo4 n ASP 17 Cb 0.57 -0.60 -0.10 0.00 -0.72 0.00 0.00 41.12 40.27 1oo4 n ASP 17 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1oo4 s ILE 18 N -3.01 -0.62 0.09 5.18 -4.36 -1.26 -4.94 121.20 112.28 1oo4 s ILE 18 Ca 0.43 0.17 0.01 0.00 -0.26 0.00 0.00 60.65 61.00 1oo4 s ILE 18 Cb 0.32 -0.65 0.01 0.00 1.25 0.00 0.00 42.46 43.39 1oo4 s ILE 18 CO -0.10 0.07 0.08 -0.24 0.24 0.00 0.00 174.94 174.99 1oo4 n SER 19 N 5.39 0.98 0.22 4.36 2.88 -1.26 -1.33 113.62 124.85 1oo4 n SER 19 Ca -0.08 -1.28 -0.15 0.00 -1.33 0.00 0.00 58.87 56.02 1oo4 n SER 19 Cb 0.49 -0.03 -0.08 0.00 -0.75 0.00 0.00 64.21 63.85 1oo4 n SER 19 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1oo4 h ARG 20 N 0.00 -0.47 -0.33 -1.46 3.08 -2.00 0.97 114.38 114.17 1oo4 h ARG 20 Ca -0.05 0.03 -0.12 0.00 0.07 0.00 0.00 59.98 59.91 1oo4 h ARG 20 Cb 0.20 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1oo4 h ARG 20 CO 0.08 -0.31 -0.28 1.05 -1.07 0.00 0.00 179.97 179.44 1oo4 h GLU 21 N -0.49 0.76 -0.13 0.04 4.11 -1.99 -2.87 114.58 114.00 1oo4 h GLU 21 Ca -0.05 -0.38 -0.13 0.00 0.07 0.00 0.00 59.36 58.87 1oo4 h GLU 21 Cb 0.38 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1oo4 h GLU 21 CO 0.08 1.01 -0.48 1.05 0.07 0.00 0.00 179.01 180.73 1oo4 h GLU 22 N 0.53 0.35 0.53 1.06 9.09 -1.95 -2.10 114.58 122.09 1oo4 h GLU 22 Ca 0.06 -0.19 -0.03 0.00 0.05 0.00 0.00 59.36 59.25 1oo4 h GLU 22 Cb 0.84 0.01 0.01 0.00 -1.65 0.00 0.00 28.75 27.96 1oo4 h GLU 22 CO 0.07 0.76 -0.25 -0.24 0.05 0.00 0.00 179.01 179.39 1oo4 h VAL 23 N 0.28 0.47 -0.97 -1.06 3.04 -0.93 -3.31 116.25 113.77 1oo4 h VAL 23 Ca 0.01 -0.10 0.28 0.00 -1.01 0.00 0.00 66.70 65.88 1oo4 h VAL 23 Cb 0.95 0.51 -0.14 0.00 -2.01 0.00 0.00 31.29 30.61 1oo4 h VAL 23 CO 0.08 0.02 0.51 0.78 -1.01 0.00 0.00 177.57 177.95 1oo4 h ASN 24 N -0.77 0.47 0.00 3.17 2.35 -1.43 -2.55 115.58 116.82 1oo4 h ASN 24 Ca -0.07 0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1oo4 h ASN 24 Cb 0.57 0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.07 1oo4 h ASN 24 CO 0.12 -0.05 0.37 -0.33 -1.65 0.00 0.00 177.43 175.89 1oo4 h GLU 25 N 0.39 0.00 -1.92 0.81 4.39 -1.47 -3.19 114.58 113.60 1oo4 h GLU 25 Ca 0.66 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.82 1oo4 h GLU 25 Cb 1.39 0.00 -0.38 0.00 -0.10 0.00 0.00 28.75 29.66 1oo4 h GLU 25 CO -0.57 0.00 -1.09 1.17 -1.16 0.00 0.00 179.01 177.36 1oo4 n LYS 26 N -2.80 0.73 0.00 2.33 0.00 -0.96 -5.06 118.16 112.40 1oo4 n LYS 26 Ca -0.02 -3.17 0.00 0.00 0.00 0.00 0.00 58.31 55.12 1oo4 n LYS 26 Cb 0.41 -1.25 0.00 0.00 0.00 0.00 0.00 35.03 34.19 1oo4 n LYS 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1oo4 n LEU 27 N 1.34 0.00 0.03 3.14 7.94 -1.20 -5.02 117.00 123.23 1oo4 n LEU 27 Ca 0.21 0.00 0.05 0.00 -1.11 0.00 0.00 56.01 55.16 1oo4 n LEU 27 Cb 0.54 0.00 0.24 0.00 0.53 0.00 0.00 43.42 44.73 1oo4 n LEU 27 CO 0.18 0.00 0.66 -2.11 -1.11 0.00 0.00 177.39 175.01 1oo4 n ARG 28 N 0.00 0.04 -0.04 1.96 -4.01 -1.26 -1.01 116.66 112.34 1oo4 n ARG 28 Ca 0.00 0.41 -0.13 0.00 -1.04 0.00 0.00 57.85 57.09 1oo4 n ARG 28 Cb 0.00 -1.59 -0.11 0.00 -3.04 0.00 0.00 32.46 27.72 1oo4 n ARG 28 CO 0.00 0.00 0.00 -0.44 -3.04 0.00 0.00 177.63 174.15 1oo4 h ASP 29 N 0.00 -0.02 0.61 2.89 5.19 -1.98 -3.37 116.42 119.75 1oo4 h ASP 29 Ca 0.00 -0.72 -0.24 0.00 -0.62 0.00 0.00 57.03 55.45 1oo4 h ASP 29 Cb 0.14 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.65 1oo4 h ASP 29 CO 0.00 0.74 -1.05 0.00 -3.12 0.00 0.00 179.24 175.80 1oo4 h THR 30 N -0.80 1.51 -2.59 0.35 1.03 -1.94 -3.49 112.91 106.99 1oo4 h THR 30 Ca -0.00 -2.87 -0.55 0.00 -0.01 0.00 0.00 66.41 62.97 1oo4 h THR 30 Cb 0.74 2.70 -0.01 0.00 -1.07 0.00 0.00 68.15 70.51 1oo4 h THR 30 CO 0.00 0.84 1.13 0.00 -0.01 0.00 0.00 175.52 177.49 1oo4 s ALA 31 N -2.93 3.49 -0.29 0.00 0.00 -0.18 -4.93 121.76 116.92 1oo4 s ALA 31 Ca -0.03 0.86 0.15 0.00 0.00 0.00 0.00 51.96 52.94 1oo4 s ALA 31 Cb 0.09 -3.80 0.48 0.00 0.00 0.00 0.00 23.12 19.89 1oo4 s ALA 31 CO 0.86 -1.61 1.13 -0.40 0.00 0.00 0.00 175.76 175.74 1oo4 n ASP 32 N 7.72 3.17 0.00 0.00 5.68 -1.20 -0.63 116.55 131.27 1oo4 n ASP 32 Ca 0.19 -2.90 0.00 0.00 -0.50 0.00 0.00 54.79 51.58 1oo4 n ASP 32 Cb 0.43 -0.42 0.00 0.00 -1.14 0.00 0.00 41.12 39.99 1oo4 n ASP 32 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1oo4 n GLY 33 N -0.60 0.97 3.68 6.12 0.00 -0.94 -4.75 105.19 109.67 1oo4 n GLY 33 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 1oo4 n GLY 33 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1oo4 s THR 34 N -1.92 2.65 -0.15 2.61 -1.32 -1.26 -3.65 115.64 112.59 1oo4 s THR 34 Ca 0.00 0.06 -0.00 0.00 -1.21 0.00 0.00 61.69 60.54 1oo4 s THR 34 Cb 0.00 -3.04 -0.01 0.00 -1.51 0.00 0.00 72.50 67.94 1oo4 s THR 34 CO 0.00 -0.00 -0.14 0.72 -2.21 0.00 0.00 174.62 172.99 1oo4 s PHE 35 N 3.09 2.80 -0.02 9.09 -0.12 -1.25 -3.32 117.98 128.25 1oo4 s PHE 35 Ca 0.82 -0.93 -0.19 0.00 -0.05 0.00 0.00 56.93 56.58 1oo4 s PHE 35 Cb -0.45 -1.89 0.04 0.00 -0.63 0.00 0.00 43.02 40.08 1oo4 s PHE 35 CO 0.37 -0.41 0.41 -0.48 -0.05 0.00 0.00 175.22 175.06 1oo4 s LEU 36 N 0.74 0.46 -0.43 -1.99 2.34 -0.53 -4.14 118.68 115.13 1oo4 s LEU 36 Ca -0.06 0.23 -0.13 0.00 0.06 0.00 0.00 54.13 54.23 1oo4 s LEU 36 Cb -0.15 1.60 0.05 0.00 -0.56 0.00 0.00 46.19 47.13 1oo4 s LEU 36 CO 0.01 -0.50 0.32 -0.69 -1.06 0.00 0.00 176.35 174.43 1oo4 s VAL 37 N -1.35 4.95 -0.15 1.48 1.01 -1.26 -0.13 120.40 124.95 1oo4 s VAL 37 Ca -0.13 -0.99 -0.07 0.00 0.00 0.00 0.00 61.98 60.79 1oo4 s VAL 37 Cb -0.04 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 1oo4 s VAL 37 CO 0.05 -0.44 0.11 -0.60 0.00 0.00 0.00 175.10 174.22 1oo4 s ARG 38 N 1.60 3.70 0.04 2.72 3.00 -0.39 -2.12 118.95 127.50 1oo4 s ARG 38 Ca 0.04 -0.23 -0.31 0.00 -1.00 0.00 0.00 55.73 54.23 1oo4 s ARG 38 Cb -0.22 -3.21 -0.07 0.00 0.00 0.00 0.00 34.95 31.46 1oo4 s ARG 38 CO 0.07 0.54 1.45 0.34 0.00 0.00 0.00 175.30 177.70 1oo4 s ASP 39 N -0.36 6.79 0.32 -2.12 2.15 -0.45 -3.39 116.67 119.63 1oo4 s ASP 39 Ca 0.10 2.24 0.07 0.00 0.43 0.00 0.00 52.55 55.39 1oo4 s ASP 39 Cb -0.12 -2.57 -0.02 0.00 -0.30 0.00 0.00 42.92 39.91 1oo4 s ASP 39 CO 0.01 -0.74 0.34 0.00 -0.17 0.00 0.00 175.17 174.61 1oo4 s ALA 40 N 2.14 3.94 -0.23 3.66 0.00 -0.12 -4.61 121.76 126.55 1oo4 s ALA 40 Ca 0.66 -1.54 -0.03 0.00 0.00 0.00 0.00 51.96 51.04 1oo4 s ALA 40 Cb -0.34 -1.37 0.12 0.00 0.00 0.00 0.00 23.12 21.53 1oo4 s ALA 40 CO 0.28 0.04 0.33 0.45 0.00 0.00 0.00 175.76 176.87 1oo4 s SER 41 N -4.03 0.52 0.08 0.00 0.15 -1.26 -0.90 113.70 108.26 1oo4 s SER 41 Ca 0.41 0.15 0.00 0.00 0.70 0.00 0.00 55.95 57.21 1oo4 s SER 41 Cb -0.07 0.92 0.00 0.00 -1.71 0.00 0.00 66.02 65.16 1oo4 s SER 41 CO 0.28 -0.30 0.00 0.41 1.20 0.00 0.00 173.24 174.83 1oo4 n THR 42 N 5.35 0.00 -2.45 6.45 -1.04 -1.26 -4.90 114.28 116.44 1oo4 n THR 42 Ca -0.04 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.54 1oo4 n THR 42 Cb 0.50 -0.02 0.00 0.00 -1.82 0.00 0.00 70.33 68.98 1oo4 n THR 42 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1oo4 n LYS 43 N -2.67 3.15 0.00 -2.82 4.81 -1.26 -4.85 118.16 114.52 1oo4 n LYS 43 Ca 0.00 -3.17 0.00 0.00 -0.87 0.00 0.00 58.31 54.27 1oo4 n LYS 43 Cb 0.00 -3.46 0.00 0.00 0.02 0.00 0.00 35.03 31.59 1oo4 n LYS 43 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45 1oo4 n MET 44 N 8.01 0.00 -3.88 1.64 0.00 -1.26 -4.59 117.12 117.04 1oo4 n MET 44 Ca 0.49 0.00 -0.28 0.00 0.00 0.00 0.00 57.70 57.91 1oo4 n MET 44 Cb 0.45 0.00 -0.16 0.00 0.00 0.00 0.00 33.22 33.50 1oo4 n MET 44 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 175.97 174.39 1oo4 s HIS 45 N 0.00 1.65 -0.96 1.12 5.65 -1.26 -4.60 115.29 116.89 1oo4 s HIS 45 Ca 0.00 -1.05 -0.02 0.00 0.25 0.00 0.00 55.06 54.23 1oo4 s HIS 45 Cb 0.00 -1.29 0.28 0.00 -1.18 0.00 0.00 32.58 30.39 1oo4 s HIS 45 CO 0.00 -0.61 1.16 0.41 -0.65 0.00 0.00 174.74 175.05 1oo4 n GLY 46 N 4.89 4.78 0.37 1.59 0.00 -0.08 -4.94 105.19 111.80 1oo4 n GLY 46 Ca -0.12 -2.67 0.07 0.00 0.00 0.00 0.00 46.02 43.31 1oo4 n GLY 46 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1oo4 h ASP 47 N 5.45 0.87 -2.37 1.61 5.19 -1.91 -0.28 116.42 124.98 1oo4 h ASP 47 Ca 0.19 0.04 -0.70 0.00 -0.62 0.00 0.00 57.03 55.94 1oo4 h ASP 47 Cb 0.69 -0.14 -0.35 0.00 0.18 0.00 0.00 39.33 39.71 1oo4 h ASP 47 CO 1.11 0.49 0.15 0.00 -3.12 0.00 0.00 179.24 177.86 1oo4 n TYR 48 N -4.57 3.27 -3.45 4.55 4.11 -1.26 -4.12 117.16 115.68 1oo4 n TYR 48 Ca 0.17 -3.33 -0.33 0.00 -0.00 0.00 0.00 57.90 54.42 1oo4 n TYR 48 Cb 0.34 -0.86 -0.05 0.00 -0.00 0.00 0.00 39.34 38.77 1oo4 n TYR 48 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.86 176.78 1oo4 s THR 49 N -3.79 4.96 0.03 -3.48 -1.32 -1.22 -4.21 115.64 106.62 1oo4 s THR 49 Ca 0.41 0.49 -0.04 0.00 -1.21 0.00 0.00 61.69 61.34 1oo4 s THR 49 Cb 0.19 -3.64 -0.05 0.00 -1.51 0.00 0.00 72.50 67.49 1oo4 s THR 49 CO -0.07 0.03 0.25 -0.22 -2.21 0.00 0.00 174.62 172.39 1oo4 s LEU 50 N -2.57 4.35 -0.13 9.08 0.20 -0.37 -1.26 118.68 127.98 1oo4 s LEU 50 Ca 0.44 0.45 0.00 0.00 0.69 0.00 0.00 54.13 55.71 1oo4 s LEU 50 Cb -0.12 -2.78 0.02 0.00 -0.43 0.00 0.00 46.19 42.88 1oo4 s LEU 50 CO 0.21 0.22 -0.12 -0.89 -0.29 0.00 0.00 176.35 175.48 1oo4 s THR 51 N -1.39 1.37 -0.04 3.68 2.01 0.82 -0.61 115.64 121.48 1oo4 s THR 51 Ca 0.30 -0.51 -0.01 0.00 0.31 0.00 0.00 61.69 61.79 1oo4 s THR 51 Cb -0.13 -1.31 -0.04 0.00 0.01 0.00 0.00 72.50 71.03 1oo4 s THR 51 CO 0.20 0.43 0.02 -1.48 -0.69 0.00 0.00 174.62 173.09 1oo4 s LEU 52 N 1.54 3.64 -0.13 4.42 -0.00 -1.26 -1.45 118.68 125.44 1oo4 s LEU 52 Ca 0.04 0.10 0.01 0.00 -0.00 0.00 0.00 54.13 54.29 1oo4 s LEU 52 Cb -0.13 -1.97 -0.01 0.00 -0.00 0.00 0.00 46.19 44.08 1oo4 s LEU 52 CO -0.09 0.33 -0.17 -0.13 -0.00 0.00 0.00 176.35 176.29 1oo4 s ARG 53 N -1.27 3.24 -0.21 1.48 1.81 -1.21 -3.60 118.95 119.19 1oo4 s ARG 53 Ca 0.17 -0.76 -0.08 0.00 -1.72 0.00 0.00 55.73 53.34 1oo4 s ARG 53 Cb -0.12 -2.54 -0.04 0.00 -0.45 0.00 0.00 34.95 31.81 1oo4 s ARG 53 CO 0.07 0.14 0.09 0.21 -0.68 0.00 0.00 175.30 175.13 1oo4 s LYS 54 N 0.50 3.95 -1.11 3.54 2.47 -1.21 -2.20 119.74 125.66 1oo4 s LYS 54 Ca -0.11 -0.35 -0.24 0.00 -1.56 0.00 0.00 55.97 53.71 1oo4 s LYS 54 Cb -0.16 -3.32 -0.12 0.00 -1.46 0.00 0.00 37.83 32.76 1oo4 s LYS 54 CO 0.05 0.14 2.01 0.20 0.16 0.00 0.00 175.35 177.90 1oo4 s GLY 55 N 0.77 -0.23 0.00 5.54 0.00 0.19 -3.00 107.32 110.59 1oo4 s GLY 55 Ca 0.05 -1.85 0.00 0.00 0.00 0.00 0.00 44.72 42.91 1oo4 s GLY 55 CO 0.02 3.78 0.00 0.61 0.00 0.00 0.00 173.10 177.51 1oo4 n GLY 56 N 6.04 -1.25 3.39 0.20 0.00 -1.26 -5.02 105.19 107.29 1oo4 n GLY 56 Ca 0.43 0.43 -0.44 0.00 0.00 0.00 0.00 46.02 46.44 1oo4 n GLY 56 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1oo4 s ASN 57 N -4.00 6.23 -0.41 1.61 0.01 -1.17 -5.04 114.94 112.17 1oo4 s ASN 57 Ca 0.00 -1.45 -0.17 0.00 -0.71 0.00 0.00 52.86 50.54 1oo4 s ASN 57 Cb 0.00 -2.33 0.02 0.00 0.41 0.00 0.00 41.25 39.35 1oo4 s ASN 57 CO 0.00 -1.15 0.41 0.20 -1.51 0.00 0.00 177.10 175.05 1oo4 s ASN 58 N 3.59 6.18 -0.27 -1.22 0.01 -1.16 -3.33 114.94 118.74 1oo4 s ASN 58 Ca 0.15 -0.68 -0.04 0.00 -0.71 0.00 0.00 52.86 51.58 1oo4 s ASN 58 Cb -0.21 -2.21 0.15 0.00 0.41 0.00 0.00 41.25 39.38 1oo4 s ASN 58 CO 0.05 -0.55 0.51 -0.75 -1.51 0.00 0.00 177.10 174.85 1oo4 s LYS 59 N 2.06 0.46 1.23 -0.60 2.20 -1.24 -4.98 119.74 118.88 1oo4 s LYS 59 Ca 0.11 0.93 -0.17 0.00 -0.36 0.00 0.00 55.97 56.48 1oo4 s LYS 59 Cb -0.17 0.24 0.30 0.00 -1.51 0.00 0.00 37.83 36.69 1oo4 s LYS 59 CO 0.13 -0.51 1.02 -1.12 -0.36 0.00 0.00 175.35 174.51 1oo4 s SER 60 N 2.73 0.57 -0.22 1.43 0.01 -1.26 -4.30 113.70 112.66 1oo4 s SER 60 Ca 0.11 1.11 -0.07 0.00 1.31 0.00 0.00 55.95 58.41 1oo4 s SER 60 Cb -0.14 -1.68 0.10 0.00 0.21 0.00 0.00 66.02 64.51 1oo4 s SER 60 CO -0.18 -4.39 0.47 -0.51 0.41 0.00 0.00 173.24 169.04 1oo4 s ILE 61 N -2.57 -0.73 0.54 1.44 2.07 0.21 -4.90 121.20 117.26 1oo4 s ILE 61 Ca 0.68 0.12 -0.20 0.00 -1.41 0.00 0.00 60.65 59.84 1oo4 s ILE 61 Cb -0.18 -0.75 -0.06 0.00 0.13 0.00 0.00 42.46 41.60 1oo4 s ILE 61 CO 0.60 0.04 1.15 -0.75 -1.91 0.00 0.00 174.94 174.08 1oo4 s LYS 62 N 2.67 3.33 0.00 3.50 2.20 -1.26 -1.24 119.74 128.94 1oo4 s LYS 62 Ca -0.01 1.68 0.00 0.00 -0.36 0.00 0.00 55.97 57.28 1oo4 s LYS 62 Cb -0.12 -2.04 0.00 0.00 -1.51 0.00 0.00 37.83 34.16 1oo4 s LYS 62 CO -0.14 -0.88 0.00 -0.89 -0.36 0.00 0.00 175.35 173.07 1oo4 n ILE 63 N -1.25 0.00 -0.02 5.43 2.08 -1.26 -4.82 119.36 119.52 1oo4 n ILE 63 Ca 0.11 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.42 1oo4 n ILE 63 Cb 0.50 -0.04 0.00 0.00 -0.75 0.00 0.00 39.64 39.35 1oo4 n ILE 63 CO 0.00 0.00 0.00 0.33 0.56 0.00 0.00 176.55 177.44 1oo4 n PHE 64 N 0.00 0.00 -1.95 1.39 -0.00 -1.26 -4.93 117.46 110.71 1oo4 n PHE 64 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.45 57.13 1oo4 n PHE 64 Cb 0.00 -0.23 -0.04 0.00 -0.00 0.00 0.00 39.48 39.21 1oo4 n PHE 64 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.76 175.18 1oo4 s HIS 65 N -0.11 1.61 -0.59 -5.13 5.65 -1.26 -4.33 115.29 111.13 1oo4 s HIS 65 Ca 0.00 0.91 -0.03 0.00 0.25 0.00 0.00 55.06 56.19 1oo4 s HIS 65 Cb 0.00 -3.97 -0.03 0.00 -1.18 0.00 0.00 32.58 27.40 1oo4 s HIS 65 CO 0.00 -2.07 0.51 0.54 -0.65 0.00 0.00 174.74 173.07 1oo4 n ARG 66 N 9.02 -1.51 -3.34 2.88 1.74 -1.26 -5.00 116.66 119.19 1oo4 n ARG 66 Ca 0.31 0.48 -0.19 0.00 -0.77 0.00 0.00 57.85 57.68 1oo4 n ARG 66 Cb 0.50 -3.94 -0.08 0.00 -1.02 0.00 0.00 32.46 27.92 1oo4 n ARG 66 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1oo4 s ASP 67 N -3.27 1.25 0.00 0.55 -1.08 -1.26 -4.53 116.67 108.33 1oo4 s ASP 67 Ca 0.22 -1.83 0.00 0.00 -0.52 0.00 0.00 52.55 50.43 1oo4 s ASP 67 Cb -0.03 0.42 0.00 0.00 -1.46 0.00 0.00 42.92 41.85 1oo4 s ASP 67 CO 0.41 -0.24 0.00 0.61 0.52 0.00 0.00 175.17 176.46 1oo4 n GLY 68 N 3.99 -0.06 1.89 2.66 0.00 -1.26 -3.78 105.19 108.62 1oo4 n GLY 68 Ca 0.14 -0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.14 1oo4 n GLY 68 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1oo4 n LYS 69 N -1.60 -0.66 -3.63 1.61 4.81 -1.23 -4.79 118.16 112.68 1oo4 n LYS 69 Ca 0.00 0.95 -0.29 0.00 -0.87 0.00 0.00 58.31 58.10 1oo4 n LYS 69 Cb 0.00 -2.69 -0.15 0.00 0.02 0.00 0.00 35.03 32.22 1oo4 n LYS 69 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 1oo4 s TYR 70 N -1.56 1.03 0.00 5.64 5.04 -1.26 -4.93 117.35 121.32 1oo4 s TYR 70 Ca 0.07 -1.37 0.00 0.00 -2.44 0.00 0.00 57.07 53.33 1oo4 s TYR 70 Cb -0.02 -1.31 0.00 0.00 0.35 0.00 0.00 41.96 40.98 1oo4 s TYR 70 CO 0.22 -0.85 0.00 0.41 -1.34 0.00 0.00 175.55 173.99 1oo4 n GLY 71 N 4.93 0.73 3.56 8.97 0.00 -1.26 -4.80 105.19 117.32 1oo4 n GLY 71 Ca -0.03 -1.38 -0.27 0.00 0.00 0.00 0.00 46.02 44.35 1oo4 n GLY 71 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1oo4 s PHE 72 N -1.87 1.81 -1.06 1.61 0.08 -1.26 -4.79 117.98 112.51 1oo4 s PHE 72 Ca 0.00 0.63 -0.06 0.00 0.12 0.00 0.00 56.93 57.63 1oo4 s PHE 72 Cb 0.00 -4.04 0.28 0.00 -0.57 0.00 0.00 43.02 38.69 1oo4 s PHE 72 CO 0.00 -1.72 1.19 0.43 -0.10 0.00 0.00 175.22 175.02 1oo4 n SER 73 N 14.02 5.61 0.00 1.36 7.64 -1.26 -4.71 113.62 136.27 1oo4 n SER 73 Ca 0.40 -3.21 0.00 0.00 1.01 0.00 0.00 58.87 57.08 1oo4 n SER 73 Cb 0.47 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.40 1oo4 n SER 73 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1oo4 n ASP 74 N 2.05 0.00 -0.06 6.43 2.03 -1.26 -4.83 116.55 120.91 1oo4 n ASP 74 Ca 0.25 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.51 1oo4 n ASP 74 Cb 0.37 -0.01 -0.05 0.00 -0.72 0.00 0.00 41.12 40.71 1oo4 n ASP 74 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1oo4 h SER 75 N 0.00 0.00 -3.10 1.67 0.02 -2.04 -3.41 113.55 106.70 1oo4 h SER 75 Ca 0.00 -0.34 -0.68 0.00 -0.84 0.00 0.00 61.79 59.93 1oo4 h SER 75 Cb 0.00 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 62.36 1oo4 h SER 75 CO 0.00 0.68 0.17 -0.76 -1.14 0.00 0.00 176.83 175.78 1oo4 s LEU 76 N -8.43 4.93 0.19 5.07 2.01 -1.26 -5.07 118.68 116.12 1oo4 s LEU 76 Ca -0.07 -1.00 -0.27 0.00 0.01 0.00 0.00 54.13 52.80 1oo4 s LEU 76 Cb -0.01 -2.45 -0.08 0.00 0.01 0.00 0.00 46.19 43.66 1oo4 s LEU 76 CO 0.24 -1.04 0.85 0.42 1.01 0.00 0.00 176.35 177.83 1oo4 s THR 77 N 2.92 4.27 -0.11 5.49 -4.23 -1.26 -4.46 115.64 118.26 1oo4 s THR 77 Ca 0.16 1.87 -0.13 0.00 -1.18 0.00 0.00 61.69 62.41 1oo4 s THR 77 Cb -0.20 -4.22 -0.05 0.00 1.34 0.00 0.00 72.50 69.37 1oo4 s THR 77 CO 0.11 0.50 0.31 -0.36 -0.54 0.00 0.00 174.62 174.64 1oo4 s PHE 78 N -1.07 3.55 -0.37 3.99 0.40 -1.26 -5.05 117.98 118.17 1oo4 s PHE 78 Ca 0.38 0.70 0.02 0.00 -0.60 0.00 0.00 56.93 57.43 1oo4 s PHE 78 Cb -0.24 -2.29 0.15 0.00 0.51 0.00 0.00 43.02 41.15 1oo4 s PHE 78 CO 0.29 0.40 0.30 0.54 0.70 0.00 0.00 175.22 177.44 1oo4 s ASN 79 N -0.10 2.03 -0.21 1.36 4.22 -1.26 -4.25 114.94 116.73 1oo4 s ASN 79 Ca 0.19 -1.99 -0.04 0.00 -2.14 0.00 0.00 52.86 48.87 1oo4 s ASN 79 Cb -0.14 0.04 0.11 0.00 1.28 0.00 0.00 41.25 42.54 1oo4 s ASN 79 CO 0.06 -0.27 0.34 -0.44 -2.04 0.00 0.00 177.10 174.75 1oo4 s SER 80 N 1.14 0.37 0.30 3.54 0.01 -1.26 -4.10 113.70 113.70 1oo4 s SER 80 Ca 0.19 0.35 0.05 0.00 1.31 0.00 0.00 55.95 57.84 1oo4 s SER 80 Cb -0.18 0.96 0.68 0.00 0.21 0.00 0.00 66.02 67.69 1oo4 s SER 80 CO -0.02 -0.28 1.82 1.62 0.41 0.00 0.00 173.24 176.79 1oo4 h VAL 81 N 6.22 0.82 0.00 3.43 3.04 -1.85 -2.47 116.25 125.44 1oo4 h VAL 81 Ca -0.17 -0.29 -0.06 0.00 -1.01 0.00 0.00 66.70 65.16 1oo4 h VAL 81 Cb 1.14 -0.11 -0.01 0.00 -2.01 0.00 0.00 31.29 30.30 1oo4 h VAL 81 CO 0.22 0.16 -0.29 -0.37 -1.01 0.00 0.00 177.57 176.27 1oo4 h VAL 82 N 0.85 1.07 -0.44 1.51 -1.51 -1.92 -3.26 116.25 112.56 1oo4 h VAL 82 Ca 0.52 -1.06 -0.04 0.00 -1.23 0.00 0.00 66.70 64.89 1oo4 h VAL 82 Cb 0.70 1.59 -0.02 0.00 -2.13 0.00 0.00 31.29 31.44 1oo4 h VAL 82 CO -0.30 0.29 0.11 -0.33 -1.23 0.00 0.00 177.57 176.11 1oo4 h GLU 83 N 0.00 0.70 -0.67 5.19 5.08 -1.81 0.60 114.58 123.67 1oo4 h GLU 83 Ca -0.00 -0.17 0.10 0.00 -1.00 0.00 0.00 59.36 58.29 1oo4 h GLU 83 Cb 0.57 -0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.66 1oo4 h GLU 83 CO 0.04 0.70 0.29 1.37 -1.00 0.00 0.00 179.01 180.41 1oo4 h LEU 84 N 0.57 0.34 0.03 1.33 8.10 -1.70 -2.75 115.31 121.23 1oo4 h LEU 84 Ca 0.14 0.07 -0.00 0.00 0.11 0.00 0.00 57.88 58.20 1oo4 h LEU 84 Cb 0.31 0.02 0.00 0.00 -0.44 0.00 0.00 40.66 40.56 1oo4 h LEU 84 CO 0.00 0.19 -0.02 0.40 -4.11 0.00 0.00 178.44 174.91 1oo4 h ILE 85 N 0.50 1.32 -0.99 0.15 2.04 -1.48 -3.31 117.51 115.74 1oo4 h ILE 85 Ca 0.34 -1.17 0.16 0.00 1.00 0.00 0.00 64.86 65.18 1oo4 h ILE 85 Cb 0.39 2.10 -0.10 0.00 -0.74 0.00 0.00 36.82 38.47 1oo4 h ILE 85 CO -0.29 0.29 0.61 0.78 0.00 0.00 0.00 178.15 179.54 1oo4 h ASN 86 N -0.56 0.83 -0.81 1.72 2.35 0.12 0.43 115.58 119.66 1oo4 h ASN 86 Ca -0.00 0.08 0.19 0.00 -0.55 0.00 0.00 56.30 56.01 1oo4 h ASN 86 Cb 0.52 -0.08 -0.12 0.00 0.05 0.00 0.00 38.32 38.68 1oo4 h ASN 86 CO 0.01 0.37 0.20 -0.74 -1.65 0.00 0.00 177.43 175.62 1oo4 h HIS 87 N 0.86 0.31 0.00 1.19 2.76 -1.58 -0.88 115.15 117.80 1oo4 h HIS 87 Ca 0.53 0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.75 1oo4 h HIS 87 Cb 0.70 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.65 1oo4 h HIS 87 CO -0.01 -0.14 -0.77 1.88 -1.30 0.00 0.00 177.93 177.59 1oo4 h TYR 88 N 0.25 0.00 0.00 5.26 0.05 -1.41 -3.22 116.97 117.90 1oo4 h TYR 88 Ca 0.48 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 59.23 1oo4 h TYR 88 Cb 0.89 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.62 1oo4 h TYR 88 CO -0.27 0.00 -0.12 0.00 -1.05 0.00 0.00 178.16 176.72 1oo4 h ARG 89 N 0.00 0.00 0.00 4.88 3.08 -0.82 -1.99 114.38 119.54 1oo4 h ARG 89 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1oo4 h ARG 89 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.98 1oo4 h ARG 89 CO 0.00 0.12 0.00 -1.71 -1.07 0.00 0.00 179.97 177.31 1oo4 n ASN 90 N -3.38 0.17 0.00 7.04 5.15 -0.35 -1.17 115.26 122.73 1oo4 n ASN 90 Ca -0.01 0.57 0.00 0.00 -0.60 0.00 0.00 54.58 54.55 1oo4 n ASN 90 Cb 0.31 -0.60 0.00 0.00 -0.53 0.00 0.00 39.78 38.96 1oo4 n ASN 90 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 1oo4 n GLU 91 N -1.72 0.00 -3.31 1.20 0.28 -1.11 -4.96 120.64 111.01 1oo4 n GLU 91 Ca 0.00 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 56.93 1oo4 n GLU 91 Cb 0.05 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 32.85 1oo4 n GLU 91 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1oo4 s SER 92 N 1.53 0.11 0.55 -1.84 1.04 -0.76 -3.25 113.70 111.08 1oo4 s SER 92 Ca 0.00 0.10 0.37 0.00 0.48 0.00 0.00 55.95 56.90 1oo4 s SER 92 Cb 0.00 1.22 1.82 0.00 0.10 0.00 0.00 66.02 69.17 1oo4 s SER 92 CO 0.00 -0.31 2.11 -0.07 0.98 0.00 0.00 173.24 175.94 1oo4 h LEU 93 N 8.16 0.00 -1.88 2.42 4.07 -1.62 -2.04 115.31 124.43 1oo4 h LEU 93 Ca -0.16 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.77 1oo4 h LEU 93 Cb 1.15 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.88 1oo4 h LEU 93 CO 0.27 0.00 -0.13 0.00 -1.08 0.00 0.00 178.44 177.50 1oo4 h ALA 94 N 2.02 1.37 0.00 1.53 0.00 -1.80 -2.32 119.26 120.06 1oo4 h ALA 94 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1oo4 h ALA 94 Cb 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1oo4 h ALA 94 CO 0.00 0.16 0.00 0.37 0.00 0.00 0.00 179.25 179.78 1oo4 h GLN 95 N 0.00 0.00 0.22 0.00 5.75 -1.68 -3.31 115.11 116.09 1oo4 h GLN 95 Ca -0.00 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 1oo4 h GLN 95 Cb 0.32 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.88 1oo4 h GLN 95 CO 0.02 0.00 -0.11 -0.92 -2.65 0.00 0.00 178.83 175.17 1oo4 h TYR 96 N 0.00 -0.28 0.00 3.99 3.20 -1.50 -3.50 116.97 118.88 1oo4 h TYR 96 Ca 0.00 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1oo4 h TYR 96 Cb 0.59 0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.95 1oo4 h TYR 96 CO 0.00 -0.17 0.00 -1.71 -1.64 0.00 0.00 178.16 174.64 1oo4 n ASN 97 N -3.25 0.00 -4.66 -2.11 5.15 -1.05 -5.14 115.26 104.21 1oo4 n ASN 97 Ca -0.04 0.00 -0.45 0.00 -0.60 0.00 0.00 54.58 53.50 1oo4 n ASN 97 Cb 0.12 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.33 1oo4 n ASN 97 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1oo4 n PRO 98 N 0.00 2.51 -1.48 1.20 -0.04 -1.23 -4.82 135.00 131.13 1oo4 n PRO 98 Ca 0.00 0.90 -0.41 0.00 -0.04 0.00 0.00 63.50 63.95 1oo4 n PRO 98 Cb 0.00 -2.89 -0.04 0.00 -0.04 0.00 0.00 33.50 30.53 1oo4 n PRO 98 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1oo4 n LYS 99 N 7.37 1.94 -0.13 0.54 3.00 -1.26 -2.45 118.16 127.17 1oo4 n LYS 99 Ca 0.22 -2.19 -0.28 0.00 -0.00 0.00 0.00 58.31 56.07 1oo4 n LYS 99 Cb 0.37 -3.14 -0.09 0.00 0.00 0.00 0.00 35.03 32.17 1oo4 n LYS 99 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1oo4 n LEU 100 N 8.00 1.81 -3.23 3.14 4.77 -1.26 -4.87 117.00 125.36 1oo4 n LEU 100 Ca 0.50 0.31 -0.12 0.00 -0.03 0.00 0.00 56.01 56.67 1oo4 n LEU 100 Cb 0.41 -0.76 0.04 0.00 -2.33 0.00 0.00 43.42 40.79 1oo4 n LEU 100 CO 0.95 0.53 0.12 -0.67 -1.33 0.00 0.00 177.39 176.98 1oo4 n ASP 101 N -4.16 -6.88 -3.92 -1.43 2.03 -1.26 -4.87 116.55 96.06 1oo4 n ASP 101 Ca -0.50 -0.54 -0.10 0.00 0.52 0.00 0.00 54.79 54.16 1oo4 n ASP 101 Cb 0.86 -5.04 -0.11 0.00 -0.72 0.00 0.00 41.12 36.11 1oo4 n ASP 101 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1oo4 s VAL 102 N -3.26 0.08 0.33 5.18 -7.23 -1.26 -4.88 120.40 109.35 1oo4 s VAL 102 Ca 0.31 -0.62 0.07 0.00 -1.81 0.00 0.00 61.98 59.92 1oo4 s VAL 102 Cb -0.05 -0.27 -0.01 0.00 0.56 0.00 0.00 36.38 36.61 1oo4 s VAL 102 CO 0.76 -0.34 0.44 -0.75 -0.31 0.00 0.00 175.10 174.89 1oo4 s LYS 103 N -1.07 3.07 -0.10 4.82 2.20 -1.20 -3.69 119.74 123.77 1oo4 s LYS 103 Ca -0.12 -1.05 -0.29 0.00 -0.36 0.00 0.00 55.97 54.15 1oo4 s LYS 103 Cb -0.07 -2.77 -0.07 0.00 -1.51 0.00 0.00 37.83 33.41 1oo4 s LYS 103 CO -0.00 0.08 2.11 -0.11 -0.36 0.00 0.00 175.35 177.07 1oo4 n LEU 104 N -1.59 3.67 0.00 5.43 -0.00 -0.31 -4.70 117.00 119.50 1oo4 n LEU 104 Ca -0.01 0.52 0.00 0.00 -0.00 0.00 0.00 56.01 56.52 1oo4 n LEU 104 Cb 0.58 -1.54 0.00 0.00 -0.00 0.00 0.00 43.42 42.46 1oo4 n LEU 104 CO 0.42 -0.29 0.00 0.18 -0.00 0.00 0.00 177.39 177.71 1oo4 n LEU 105 N 9.82 0.71 -3.65 -1.96 4.32 -1.24 -5.04 117.00 119.96 1oo4 n LEU 105 Ca 0.26 0.02 -0.10 0.00 -0.02 0.00 0.00 56.01 56.17 1oo4 n LEU 105 Cb 0.43 -0.08 -0.08 0.00 -1.62 0.00 0.00 43.42 42.08 1oo4 n LEU 105 CO 0.67 -0.08 0.32 -0.47 -1.22 0.00 0.00 177.39 176.61 1oo4 s TYR 106 N -0.15 -0.88 0.18 -1.77 5.04 -1.26 -5.02 117.35 113.49 1oo4 s TYR 106 Ca 0.00 1.90 -0.28 0.00 -2.44 0.00 0.00 57.07 56.25 1oo4 s TYR 106 Cb 0.00 0.44 -0.08 0.00 0.35 0.00 0.00 41.96 42.67 1oo4 s TYR 106 CO 0.00 -0.44 0.87 -1.25 -1.34 0.00 0.00 175.55 173.39 1oo4 s PRO 107 N 1.11 4.70 -1.10 4.97 0.04 -1.26 -3.75 135.00 139.70 1oo4 s PRO 107 Ca -0.06 1.33 -0.21 0.00 0.04 0.00 0.00 61.00 62.10 1oo4 s PRO 107 Cb -0.05 -3.29 0.06 0.00 0.04 0.00 0.00 34.50 31.26 1oo4 s PRO 107 CO -0.11 0.48 1.52 0.08 0.04 0.00 0.00 177.00 179.01 1oo4 s VAL 108 N -0.94 4.06 -0.46 -0.36 1.01 -1.26 -4.98 120.40 117.47 1oo4 s VAL 108 Ca 0.39 -1.20 -0.22 0.00 0.00 0.00 0.00 61.98 60.95 1oo4 s VAL 108 Cb -0.24 -5.08 0.03 0.00 0.00 0.00 0.00 36.38 31.09 1oo4 s VAL 108 CO 0.29 -1.93 0.76 -0.94 0.00 0.00 0.00 175.10 173.28 1oo4 s SER 109 N 4.62 6.37 -1.25 3.32 1.04 -1.26 -3.99 113.70 122.55 1oo4 s SER 109 Ca 0.47 -0.24 -0.07 0.00 0.48 0.00 0.00 55.95 56.59 1oo4 s SER 109 Cb 0.01 -2.37 0.01 0.00 0.10 0.00 0.00 66.02 63.77 1oo4 s SER 109 CO -0.04 -0.92 0.98 1.17 0.98 0.00 0.00 173.24 175.41 1oo4 n LYS 110 N 6.67 -6.75 -0.48 4.02 4.81 -1.26 -5.14 118.16 120.02 1oo4 n LYS 110 Ca 0.01 0.76 0.00 0.00 -0.87 0.00 0.00 58.31 58.21 1oo4 n LYS 110 Cb 0.48 -5.54 0.00 0.00 0.02 0.00 0.00 35.03 29.99 1oo4 n LYS 110 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55