#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oo3 s MET 2 N 0.00 3.56 -0.54 1.61 -1.94 -1.26 -4.96 119.30 115.78 1oo3 s MET 2 Ca 0.00 -1.22 -0.14 0.00 -1.71 0.00 0.00 55.69 52.61 1oo3 s MET 2 Cb 0.00 -5.37 0.13 0.00 2.01 0.00 0.00 34.83 31.60 1oo3 s MET 2 CO 0.00 -2.35 0.48 0.54 -0.01 0.00 0.00 175.02 173.68 1oo3 s ASN 3 N 5.11 6.10 -0.93 3.03 2.20 -1.26 -5.04 114.94 124.16 1oo3 s ASN 3 Ca 0.50 -1.85 -0.24 0.00 -0.94 0.00 0.00 52.86 50.32 1oo3 s ASN 3 Cb 0.00 -2.17 0.04 0.00 -2.00 0.00 0.00 41.25 37.12 1oo3 s ASN 3 CO -0.05 -0.81 1.45 0.54 -2.94 0.00 0.00 177.10 175.28 1oo3 s ASN 4 N 3.35 6.28 -0.82 3.54 4.22 -1.26 -4.97 114.94 125.27 1oo3 s ASN 4 Ca 0.04 -1.08 -0.22 0.00 -2.14 0.00 0.00 52.86 49.46 1oo3 s ASN 4 Cb -0.29 -2.57 0.08 0.00 1.28 0.00 0.00 41.25 39.76 1oo3 s ASN 4 CO 0.02 -1.70 1.13 0.20 -2.04 0.00 0.00 177.10 174.71 1oo3 s ASN 5 N 4.95 6.39 -1.01 3.54 0.01 -1.26 -4.97 114.94 122.58 1oo3 s ASN 5 Ca 0.45 -1.39 -0.22 0.00 -0.71 0.00 0.00 52.86 51.00 1oo3 s ASN 5 Cb -0.03 -2.45 0.07 0.00 0.41 0.00 0.00 41.25 39.25 1oo3 s ASN 5 CO -0.02 -1.36 1.39 -0.04 -1.51 0.00 0.00 177.10 175.56 1oo3 s MET 6 N 3.90 3.62 -0.11 -0.60 -1.94 -1.26 -4.94 119.30 117.96 1oo3 s MET 6 Ca 0.31 -1.32 -0.04 0.00 -1.71 0.00 0.00 55.69 52.93 1oo3 s MET 6 Cb -0.09 -5.26 -0.11 0.00 2.01 0.00 0.00 34.83 31.38 1oo3 s MET 6 CO 0.00 -2.11 2.98 0.45 -0.01 0.00 0.00 175.02 176.34 1oo3 n SER 7 N 8.29 5.60 -4.23 3.03 2.88 -1.26 -4.84 113.62 123.08 1oo3 n SER 7 Ca 0.32 -2.65 -0.13 0.00 -1.33 0.00 0.00 58.87 55.07 1oo3 n SER 7 Cb 0.50 -1.29 -0.10 0.00 -0.75 0.00 0.00 64.21 62.57 1oo3 n SER 7 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1oo3 s LEU 8 N -0.56 1.72 -1.22 2.46 1.43 -1.26 -4.75 118.68 116.50 1oo3 s LEU 8 Ca 0.48 -1.28 -0.03 0.00 -1.03 0.00 0.00 54.13 52.27 1oo3 s LEU 8 Cb 0.26 0.13 -0.01 0.00 0.03 0.00 0.00 46.19 46.59 1oo3 s LEU 8 CO -0.04 -0.70 0.84 1.67 0.23 0.00 0.00 176.35 178.35 1oo3 n GLN 9 N -0.28 -4.81 -0.11 1.70 7.27 -1.26 -5.02 117.38 114.87 1oo3 n GLN 9 Ca -0.03 0.72 -0.23 0.00 0.07 0.00 0.00 57.00 57.53 1oo3 n GLN 9 Cb 0.65 -5.43 -0.10 0.00 2.41 0.00 0.00 30.24 27.77 1oo3 n GLN 9 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1oo3 n ASP 10 N -3.08 1.89 -4.77 1.69 8.00 -1.26 -4.96 116.55 114.06 1oo3 n ASP 10 Ca -0.25 0.40 -0.41 0.00 0.71 0.00 0.00 54.79 55.25 1oo3 n ASP 10 Cb 0.66 -0.91 -0.01 0.00 -0.02 0.00 0.00 41.12 40.84 1oo3 n ASP 10 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1oo3 s ALA 11 N -2.45 3.55 -0.02 2.24 0.00 -1.26 -5.00 121.76 118.83 1oo3 s ALA 11 Ca -0.31 1.45 -0.23 0.00 0.00 0.00 0.00 51.96 52.87 1oo3 s ALA 11 Cb 0.09 -3.56 -0.21 0.00 0.00 0.00 0.00 23.12 19.44 1oo3 s ALA 11 CO 0.53 -0.89 1.13 0.93 0.00 0.00 0.00 175.76 177.46 1oo3 h GLU 12 N 3.28 0.23 0.00 0.00 4.39 -1.91 -3.13 114.58 117.44 1oo3 h GLU 12 Ca -0.50 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.01 1oo3 h GLU 12 Cb 1.23 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 1oo3 h GLU 12 CO 0.66 0.86 0.00 -2.67 -1.16 0.00 0.00 179.01 176.70 1oo3 n TRP 13 N -4.52 0.00 -2.50 4.33 2.14 -1.10 -0.37 117.44 115.43 1oo3 n TRP 13 Ca -0.09 0.00 -0.41 0.00 2.07 0.00 0.00 57.50 59.08 1oo3 n TRP 13 Cb 0.46 -0.13 -0.01 0.00 -0.81 0.00 0.00 31.31 30.82 1oo3 n TRP 13 CO 0.00 0.00 0.00 -0.47 2.07 0.00 0.00 177.69 179.29 1oo3 s TYR 14 N -2.25 2.64 0.06 -2.67 5.04 -1.19 -4.53 117.35 114.46 1oo3 s TYR 14 Ca 0.00 -1.28 0.09 0.00 -2.44 0.00 0.00 57.07 53.44 1oo3 s TYR 14 Cb 0.00 -4.64 -0.15 0.00 0.35 0.00 0.00 41.96 37.52 1oo3 s TYR 14 CO 0.00 -1.73 1.32 -1.49 -1.34 0.00 0.00 175.55 172.31 1oo3 h TRP 15 N 8.02 0.00 0.00 4.97 4.06 -1.92 -3.48 115.95 127.59 1oo3 h TRP 15 Ca 0.40 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.35 1oo3 h TRP 15 Cb 0.89 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.05 1oo3 h TRP 15 CO 1.39 0.89 0.00 0.41 -3.56 0.00 0.00 178.44 177.57 1oo3 n GLY 16 N 1.32 2.18 3.18 1.49 0.00 -1.26 -5.00 105.19 107.10 1oo3 n GLY 16 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 1oo3 n GLY 16 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1oo3 s ASP 17 N -3.56 -1.49 -0.31 1.61 2.15 -1.26 -4.81 116.67 109.00 1oo3 s ASP 17 Ca 0.00 -0.77 -0.01 0.00 0.43 0.00 0.00 52.55 52.20 1oo3 s ASP 17 Cb 0.00 1.90 0.10 0.00 -0.30 0.00 0.00 42.92 44.62 1oo3 s ASP 17 CO 0.00 -0.16 0.11 0.27 -0.17 0.00 0.00 175.17 175.22 1oo3 s ILE 18 N 1.84 0.69 -0.00 4.11 -4.36 -1.26 -4.96 121.20 117.26 1oo3 s ILE 18 Ca 0.16 -1.31 -0.01 0.00 -0.26 0.00 0.00 60.65 59.23 1oo3 s ILE 18 Cb -0.04 -1.53 -0.00 0.00 1.25 0.00 0.00 42.46 42.14 1oo3 s ILE 18 CO -0.07 -0.70 0.01 -0.94 0.24 0.00 0.00 174.94 173.48 1oo3 s SER 19 N 1.67 0.01 0.00 4.36 1.04 -1.26 -2.62 113.70 116.89 1oo3 s SER 19 Ca 0.10 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.51 1oo3 s SER 19 Cb -0.17 0.04 0.00 0.00 0.10 0.00 0.00 66.02 65.98 1oo3 s SER 19 CO -0.26 -0.03 0.00 -1.14 0.98 0.00 0.00 173.24 172.78 1oo3 n ARG 20 N 2.94 0.00 0.00 4.02 0.63 -1.26 -4.77 116.66 118.22 1oo3 n ARG 20 Ca -0.13 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.80 1oo3 n ARG 20 Cb 0.59 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.50 1oo3 n ARG 20 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1oo3 n GLU 21 N 0.00 0.17 0.00 -0.14 -0.58 -1.26 -2.24 120.64 116.58 1oo3 n GLU 21 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1oo3 n GLU 21 Cb 0.00 -1.15 0.00 0.00 -0.57 0.00 0.00 31.44 29.72 1oo3 n GLU 21 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1oo3 n GLU 22 N 0.51 0.00 -0.01 3.49 0.00 -1.26 -4.64 120.64 118.74 1oo3 n GLU 22 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 57.16 57.07 1oo3 n GLU 22 Cb 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 31.46 1oo3 n GLU 22 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1oo3 h VAL 23 N 0.00 0.72 0.04 3.84 2.07 -1.90 -2.10 116.25 118.92 1oo3 h VAL 23 Ca 0.00 0.00 -0.30 0.00 0.82 0.00 0.00 66.70 67.22 1oo3 h VAL 23 Cb 0.00 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 1oo3 h VAL 23 CO 0.00 0.00 -1.67 0.59 0.02 0.00 0.00 177.57 176.51 1oo3 n ASN 24 N -5.24 1.96 -0.05 0.57 4.13 -1.01 -4.17 115.26 111.45 1oo3 n ASN 24 Ca -0.03 0.32 -0.15 0.00 1.68 0.00 0.00 54.58 56.40 1oo3 n ASN 24 Cb 0.16 -0.90 -0.07 0.00 -1.54 0.00 0.00 39.78 37.44 1oo3 n ASN 24 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 1oo3 h GLU 25 N -0.62 0.63 0.00 3.52 4.57 -1.56 -3.07 114.58 118.04 1oo3 h GLU 25 Ca -0.42 -0.43 -0.20 0.00 -1.18 0.00 0.00 59.36 57.14 1oo3 h GLU 25 Cb 1.59 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 30.22 1oo3 h GLU 25 CO -0.13 1.05 -0.99 0.87 -1.18 0.00 0.00 179.01 178.62 1oo3 h LYS 26 N 0.30 0.00 -0.88 1.92 1.79 -1.65 0.06 116.57 118.12 1oo3 h LYS 26 Ca -0.00 0.00 0.36 0.00 -2.18 0.00 0.00 60.65 58.83 1oo3 h LYS 26 Cb 1.06 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 31.56 1oo3 h LYS 26 CO 0.10 0.84 0.48 -0.11 -1.08 0.00 0.00 179.45 179.68 1oo3 n LEU 27 N -3.29 0.29 -0.05 2.94 0.00 -1.06 -1.38 117.00 114.46 1oo3 n LEU 27 Ca -0.02 1.39 -0.22 0.00 0.00 0.00 0.00 56.01 57.17 1oo3 n LEU 27 Cb 0.91 -0.68 -0.13 0.00 0.00 0.00 0.00 43.42 43.53 1oo3 n LEU 27 CO 0.46 -1.55 -0.75 -1.14 0.00 0.00 0.00 177.39 174.40 1oo3 n ARG 28 N -4.87 0.67 0.11 1.96 0.63 -1.09 -3.74 116.66 110.33 1oo3 n ARG 28 Ca 0.32 0.38 -0.24 0.00 -0.92 0.00 0.00 57.85 57.40 1oo3 n ARG 28 Cb 1.12 -1.71 -0.15 0.00 0.45 0.00 0.00 32.46 32.16 1oo3 n ARG 28 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1oo3 h ASP 29 N -0.40 0.74 0.01 6.15 3.32 -0.88 -3.36 116.42 122.00 1oo3 h ASP 29 Ca -0.42 -0.93 0.00 0.00 0.02 0.00 0.00 57.03 55.71 1oo3 h ASP 29 Cb 1.72 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 41.03 1oo3 h ASP 29 CO -0.06 1.72 -0.35 1.07 -1.72 0.00 0.00 179.24 179.90 1oo3 n THR 30 N -3.72 0.00 0.00 0.35 5.66 -0.48 -5.05 114.28 111.04 1oo3 n THR 30 Ca -0.20 -0.29 0.00 0.00 -3.05 0.00 0.00 64.05 60.52 1oo3 n THR 30 Cb 1.07 1.18 0.00 0.00 -1.55 0.00 0.00 70.33 71.03 1oo3 n THR 30 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1oo3 n ALA 31 N 0.18 0.00 -2.44 1.79 0.00 -1.11 -4.82 120.51 114.10 1oo3 n ALA 31 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.28 1oo3 n ALA 31 Cb 0.48 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.79 1oo3 n ALA 31 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1oo3 s ASP 32 N -4.00 2.74 0.00 0.00 3.84 -1.26 -4.51 116.67 113.48 1oo3 s ASP 32 Ca 0.00 -0.58 0.00 0.00 -0.00 0.00 0.00 52.55 51.97 1oo3 s ASP 32 Cb 0.00 -0.22 0.00 0.00 -1.38 0.00 0.00 42.92 41.32 1oo3 s ASP 32 CO 0.00 0.18 0.00 0.61 -0.00 0.00 0.00 175.17 175.96 1oo3 n GLY 33 N 1.67 0.74 3.05 2.12 0.00 0.03 -4.69 105.19 108.10 1oo3 n GLY 33 Ca -0.17 -0.70 -0.08 0.00 0.00 0.00 0.00 46.02 45.07 1oo3 n GLY 33 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1oo3 s THR 34 N -2.12 -0.65 -0.06 2.61 -1.32 -1.22 -0.40 115.64 112.49 1oo3 s THR 34 Ca 0.00 0.01 -0.24 0.00 -1.21 0.00 0.00 61.69 60.25 1oo3 s THR 34 Cb 0.00 -0.78 -0.04 0.00 -1.51 0.00 0.00 72.50 70.18 1oo3 s THR 34 CO 0.00 -0.05 0.73 -0.36 -2.21 0.00 0.00 174.62 172.73 1oo3 s PHE 35 N 2.59 3.59 -0.30 9.09 0.08 -1.26 -3.77 117.98 128.00 1oo3 s PHE 35 Ca 0.09 1.30 -0.07 0.00 0.12 0.00 0.00 56.93 58.36 1oo3 s PHE 35 Cb -0.14 -2.84 0.17 0.00 -0.57 0.00 0.00 43.02 39.64 1oo3 s PHE 35 CO -0.15 0.08 0.77 -0.48 -0.10 0.00 0.00 175.22 175.34 1oo3 s LEU 36 N 0.81 -1.01 -0.32 -0.37 0.05 -0.69 -3.43 118.68 113.71 1oo3 s LEU 36 Ca 0.39 0.83 -0.23 0.00 0.05 0.00 0.00 54.13 55.17 1oo3 s LEU 36 Cb -0.18 1.93 0.00 0.00 -2.05 0.00 0.00 46.19 45.89 1oo3 s LEU 36 CO 0.19 -0.19 0.79 -0.69 -0.55 0.00 0.00 176.35 175.90 1oo3 s VAL 37 N 2.83 4.77 -0.39 1.48 1.01 -1.26 -1.85 120.40 126.99 1oo3 s VAL 37 Ca 0.08 1.11 -0.15 0.00 0.00 0.00 0.00 61.98 63.01 1oo3 s VAL 37 Cb -0.12 -4.17 0.01 0.00 0.00 0.00 0.00 36.38 32.10 1oo3 s VAL 37 CO -0.18 -0.31 0.35 0.00 0.00 0.00 0.00 175.10 174.96 1oo3 s ARG 38 N 3.01 3.17 -1.23 2.72 1.04 -0.30 -4.48 118.95 122.89 1oo3 s ARG 38 Ca 0.32 -0.79 -0.20 0.00 -1.04 0.00 0.00 55.73 54.03 1oo3 s ARG 38 Cb -0.14 -3.93 0.03 0.00 -2.04 0.00 0.00 34.95 28.88 1oo3 s ARG 38 CO 0.14 -0.71 1.75 0.34 -0.04 0.00 0.00 175.30 176.78 1oo3 s ASP 39 N 1.74 6.38 0.52 -2.89 -1.08 -1.08 -1.76 116.67 118.50 1oo3 s ASP 39 Ca 0.09 -2.10 -0.08 0.00 -0.52 0.00 0.00 52.55 49.93 1oo3 s ASP 39 Cb -0.18 -2.58 -0.04 0.00 -1.46 0.00 0.00 42.92 38.66 1oo3 s ASP 39 CO 0.12 -1.65 0.88 0.00 0.52 0.00 0.00 175.17 175.04 1oo3 s ALA 40 N 5.87 3.28 0.73 3.66 0.00 -1.26 -4.59 121.76 129.45 1oo3 s ALA 40 Ca 0.56 -0.31 -0.11 0.00 0.00 0.00 0.00 51.96 52.10 1oo3 s ALA 40 Cb 0.02 -2.79 0.03 0.00 0.00 0.00 0.00 23.12 20.38 1oo3 s ALA 40 CO 0.06 -0.43 1.08 -1.12 0.00 0.00 0.00 175.76 175.35 1oo3 s SER 41 N -4.01 4.88 0.05 0.00 0.01 -1.26 -4.06 113.70 109.31 1oo3 s SER 41 Ca 0.51 1.79 -0.26 0.00 1.31 0.00 0.00 55.95 59.30 1oo3 s SER 41 Cb -0.11 -2.52 -0.17 0.00 0.21 0.00 0.00 66.02 63.44 1oo3 s SER 41 CO 0.46 -1.78 1.55 0.74 0.41 0.00 0.00 173.24 174.62 1oo3 h THR 42 N -0.78 0.80 -1.16 1.44 2.02 -1.97 -3.05 112.91 110.21 1oo3 h THR 42 Ca -0.44 -0.26 -0.75 0.00 0.77 0.00 0.00 66.41 65.73 1oo3 h THR 42 Cb 1.23 0.95 -0.13 0.00 -1.74 0.00 0.00 68.15 68.45 1oo3 h THR 42 CO 0.53 0.06 2.22 1.17 0.37 0.00 0.00 175.52 179.87 1oo3 n LYS 43 N -5.17 3.56 0.00 6.66 4.81 -1.26 -4.55 118.16 122.21 1oo3 n LYS 43 Ca -0.09 -3.38 0.00 0.00 -0.87 0.00 0.00 58.31 53.96 1oo3 n LYS 43 Cb 0.19 -2.96 0.00 0.00 0.02 0.00 0.00 35.03 32.28 1oo3 n LYS 43 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45 1oo3 n MET 44 N 4.07 0.00 0.00 1.64 1.56 -1.15 -5.18 117.12 118.05 1oo3 n MET 44 Ca 0.43 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.86 1oo3 n MET 44 Cb 0.36 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.73 1oo3 n MET 44 CO 0.00 0.00 0.00 1.58 -0.73 0.00 0.00 175.97 176.82 1oo3 n HIS 45 N -1.16 0.00 -2.36 1.12 -0.00 -1.24 -5.05 115.22 106.53 1oo3 n HIS 45 Ca 0.00 0.00 -0.37 0.00 0.46 0.00 0.00 57.72 57.81 1oo3 n HIS 45 Cb 0.00 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 29.84 1oo3 n HIS 45 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 1oo3 s GLY 46 N 0.00 0.76 -0.80 1.57 0.00 -1.26 -4.84 107.32 102.75 1oo3 s GLY 46 Ca 0.00 -1.61 -0.25 0.00 0.00 0.00 0.00 44.72 42.85 1oo3 s GLY 46 CO 0.00 2.97 1.62 -0.35 0.00 0.00 0.00 173.10 177.34 1oo3 s ASP 47 N 5.82 5.77 -1.32 1.64 3.68 -1.26 -2.88 116.67 128.12 1oo3 s ASP 47 Ca 0.52 -0.49 -0.03 0.00 2.13 0.00 0.00 52.55 54.68 1oo3 s ASP 47 Cb -0.05 -2.55 0.01 0.00 -1.45 0.00 0.00 42.92 38.87 1oo3 s ASP 47 CO 0.03 -2.11 0.85 0.00 0.13 0.00 0.00 175.17 174.07 1oo3 n TYR 48 N 11.18 -2.11 -3.21 -5.34 9.36 -0.72 -2.57 117.16 123.75 1oo3 n TYR 48 Ca 0.22 0.89 -0.27 0.00 3.32 0.00 0.00 57.90 62.06 1oo3 n TYR 48 Cb 0.50 -4.56 -0.02 0.00 -0.63 0.00 0.00 39.34 34.63 1oo3 n TYR 48 CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 1oo3 s THR 49 N -3.52 5.03 -0.05 2.97 -1.32 -1.14 -4.66 115.64 112.96 1oo3 s THR 49 Ca 0.14 -0.10 -0.30 0.00 -1.21 0.00 0.00 61.69 60.22 1oo3 s THR 49 Cb -0.07 -3.81 -0.05 0.00 -1.51 0.00 0.00 72.50 67.07 1oo3 s THR 49 CO 0.79 -0.51 1.46 -0.22 -2.21 0.00 0.00 174.62 173.92 1oo3 s LEU 50 N -4.07 4.29 -0.02 9.08 1.98 -1.26 -1.15 118.68 127.53 1oo3 s LEU 50 Ca 0.43 2.08 0.05 0.00 -2.89 0.00 0.00 54.13 53.80 1oo3 s LEU 50 Cb -0.10 -3.55 -0.01 0.00 0.66 0.00 0.00 46.19 43.19 1oo3 s LEU 50 CO 0.35 -0.79 -0.16 0.42 -1.89 0.00 0.00 176.35 174.28 1oo3 s THR 51 N 3.09 1.30 -0.00 3.68 -4.23 -0.77 -3.70 115.64 115.00 1oo3 s THR 51 Ca 0.65 -0.67 -0.14 0.00 -1.18 0.00 0.00 61.69 60.35 1oo3 s THR 51 Cb -0.30 -1.10 0.02 0.00 1.34 0.00 0.00 72.50 72.46 1oo3 s THR 51 CO 0.25 0.37 0.29 -1.48 -0.54 0.00 0.00 174.62 173.51 1oo3 s LEU 52 N -0.18 0.93 0.05 4.79 2.34 -1.26 -1.70 118.68 123.65 1oo3 s LEU 52 Ca 0.02 0.01 -0.23 0.00 0.06 0.00 0.00 54.13 53.99 1oo3 s LEU 52 Cb -0.08 1.22 -0.06 0.00 -0.56 0.00 0.00 46.19 46.71 1oo3 s LEU 52 CO 0.00 -0.47 0.68 -0.13 -1.06 0.00 0.00 176.35 175.37 1oo3 s ARG 53 N -1.53 4.40 -0.34 1.48 0.52 -1.25 -1.04 118.95 121.19 1oo3 s ARG 53 Ca -0.12 0.91 0.01 0.00 -0.52 0.00 0.00 55.73 56.01 1oo3 s ARG 53 Cb -0.05 -3.32 0.14 0.00 0.52 0.00 0.00 34.95 32.24 1oo3 s ARG 53 CO 0.03 0.41 0.28 0.21 0.02 0.00 0.00 175.30 176.26 1oo3 s LYS 54 N -0.44 0.50 -0.95 3.54 2.20 0.04 -0.79 119.74 123.84 1oo3 s LYS 54 Ca 0.34 -0.82 -0.00 0.00 -0.36 0.00 0.00 55.97 55.13 1oo3 s LYS 54 Cb -0.20 -0.92 0.00 0.00 -1.51 0.00 0.00 37.83 35.20 1oo3 s LYS 54 CO 0.21 -1.15 0.79 0.41 -0.36 0.00 0.00 175.35 175.25 1oo3 n GLY 55 N 4.51 -0.19 1.18 5.54 0.00 -1.26 -4.17 105.19 110.80 1oo3 n GLY 55 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1oo3 n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oo3 n GLY 56 N -1.12 1.95 3.92 -0.02 0.00 -1.26 -5.03 105.19 103.63 1oo3 n GLY 56 Ca -0.22 -0.48 -0.28 0.00 0.00 0.00 0.00 46.02 45.04 1oo3 n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1oo3 s ASN 57 N -0.74 4.13 -0.43 1.61 2.47 -1.26 -4.90 114.94 115.82 1oo3 s ASN 57 Ca 0.00 0.47 -0.15 0.00 0.42 0.00 0.00 52.86 53.60 1oo3 s ASN 57 Cb 0.00 -0.85 0.03 0.00 -1.45 0.00 0.00 41.25 38.98 1oo3 s ASN 57 CO 0.00 -2.09 0.34 0.20 -3.72 0.00 0.00 177.10 171.82 1oo3 s ASN 58 N -4.67 6.13 -1.17 -4.21 0.01 -1.26 -0.78 114.94 108.98 1oo3 s ASN 58 Ca 0.66 -0.97 -0.13 0.00 -0.71 0.00 0.00 52.86 51.71 1oo3 s ASN 58 Cb -0.08 -2.17 0.20 0.00 0.41 0.00 0.00 41.25 39.60 1oo3 s ASN 58 CO 0.49 -0.51 1.34 -0.75 -1.51 0.00 0.00 177.10 176.16 1oo3 s LYS 59 N 1.73 4.10 -0.54 -0.60 2.47 -0.21 -4.93 119.74 121.75 1oo3 s LYS 59 Ca 0.06 -2.71 -0.21 0.00 -1.56 0.00 0.00 55.97 51.55 1oo3 s LYS 59 Cb -0.20 -4.93 0.06 0.00 -1.46 0.00 0.00 37.83 31.30 1oo3 s LYS 59 CO 0.10 -1.63 0.76 0.45 0.16 0.00 0.00 175.35 175.18 1oo3 s SER 60 N 2.48 6.25 -0.11 1.43 0.15 -1.26 -4.07 113.70 118.57 1oo3 s SER 60 Ca 0.39 -0.81 -0.13 0.00 0.70 0.00 0.00 55.95 56.10 1oo3 s SER 60 Cb -0.05 -2.35 -0.26 0.00 -1.71 0.00 0.00 66.02 61.65 1oo3 s SER 60 CO -0.02 -1.07 0.48 0.16 1.20 0.00 0.00 173.24 173.99 1oo3 h ILE 61 N 5.92 0.89 -4.06 6.45 -2.65 -1.95 -3.45 117.51 118.67 1oo3 h ILE 61 Ca -0.27 -2.37 -0.47 0.00 1.03 0.00 0.00 64.86 62.78 1oo3 h ILE 61 Cb 1.09 2.61 0.02 0.00 -2.05 0.00 0.00 36.82 38.48 1oo3 h ILE 61 CO 1.04 0.73 0.38 -0.75 0.03 0.00 0.00 178.15 179.58 1oo3 s LYS 62 N -2.50 3.86 -0.13 0.16 2.20 -1.26 -4.83 119.74 117.25 1oo3 s LYS 62 Ca -0.21 1.35 0.00 0.00 -0.36 0.00 0.00 55.97 56.75 1oo3 s LYS 62 Cb 0.05 -2.13 0.02 0.00 -1.51 0.00 0.00 37.83 34.26 1oo3 s LYS 62 CO 0.76 -0.38 -0.13 0.42 -0.36 0.00 0.00 175.35 175.66 1oo3 s ILE 63 N -1.98 1.43 0.15 5.43 1.01 -1.26 -4.18 121.20 121.81 1oo3 s ILE 63 Ca 0.66 -0.56 0.00 0.00 0.00 0.00 0.00 60.65 60.75 1oo3 s ILE 63 Cb -0.16 -1.35 0.00 0.00 0.01 0.00 0.00 42.46 40.96 1oo3 s ILE 63 CO 0.20 0.43 0.00 0.33 0.00 0.00 0.00 174.94 175.90 1oo3 n PHE 64 N 4.67 -2.74 0.05 3.97 7.35 -1.26 -4.68 117.46 124.82 1oo3 n PHE 64 Ca -0.17 0.83 -0.12 0.00 -0.76 0.00 0.00 57.45 57.23 1oo3 n PHE 64 Cb 0.50 -1.53 -0.09 0.00 0.35 0.00 0.00 39.48 38.71 1oo3 n PHE 64 CO 0.00 0.00 0.00 1.12 -0.76 0.00 0.00 176.76 177.12 1oo3 h HIS 65 N -0.62 -0.17 -6.59 -5.13 2.07 -1.81 -3.39 115.15 99.51 1oo3 h HIS 65 Ca 0.01 -0.00 -0.16 0.00 -2.85 0.00 0.00 60.37 57.37 1oo3 h HIS 65 Cb 0.61 0.06 -0.03 0.00 2.57 0.00 0.00 27.41 30.62 1oo3 h HIS 65 CO 0.00 0.28 -0.26 -2.13 -3.07 0.00 0.00 177.93 172.75 1oo3 n ARG 66 N -4.94 -0.90 0.00 5.12 0.63 -1.26 -1.60 116.66 113.71 1oo3 n ARG 66 Ca -0.08 -0.21 0.00 0.00 -0.92 0.00 0.00 57.85 56.63 1oo3 n ARG 66 Cb 0.26 -0.35 0.00 0.00 0.45 0.00 0.00 32.46 32.83 1oo3 n ARG 66 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1oo3 n ASP 67 N -0.14 0.00 0.00 6.15 8.00 -1.26 -4.07 116.55 125.23 1oo3 n ASP 67 Ca -0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.45 1oo3 n ASP 67 Cb 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 1oo3 n ASP 67 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1oo3 n GLY 68 N 0.00 0.61 3.06 0.44 0.00 -0.63 -4.77 105.19 103.91 1oo3 n GLY 68 Ca 0.00 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 45.05 1oo3 n GLY 68 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1oo3 s LYS 69 N -0.44 2.56 -0.02 1.61 0.00 -1.26 -0.69 119.74 121.50 1oo3 s LYS 69 Ca 0.00 -0.78 -0.19 0.00 0.00 0.00 0.00 55.97 55.00 1oo3 s LYS 69 Cb 0.00 -2.41 -0.05 0.00 0.00 0.00 0.00 37.83 35.36 1oo3 s LYS 69 CO 0.00 -0.28 0.53 -0.47 0.00 0.00 0.00 175.35 175.13 1oo3 s TYR 70 N 1.36 3.66 0.00 1.78 5.04 -1.26 -4.68 117.35 123.25 1oo3 s TYR 70 Ca 0.03 1.09 0.00 0.00 -2.44 0.00 0.00 57.07 55.75 1oo3 s TYR 70 Cb -0.14 -2.53 0.00 0.00 0.35 0.00 0.00 41.96 39.65 1oo3 s TYR 70 CO -0.11 0.38 0.00 0.41 -1.34 0.00 0.00 175.55 174.90 1oo3 n GLY 71 N 2.46 1.40 3.37 8.97 0.00 -1.26 -5.02 105.19 115.11 1oo3 n GLY 71 Ca -0.09 -0.57 -0.11 0.00 0.00 0.00 0.00 46.02 45.26 1oo3 n GLY 71 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1oo3 s PHE 72 N 0.00 -0.26 -1.21 1.61 -0.71 -1.26 -4.99 117.98 111.16 1oo3 s PHE 72 Ca 0.00 -0.04 -0.21 0.00 -1.04 0.00 0.00 56.93 55.64 1oo3 s PHE 72 Cb 0.00 0.34 -0.02 0.00 -1.21 0.00 0.00 43.02 42.13 1oo3 s PHE 72 CO 0.00 -0.76 1.84 -1.54 -1.34 0.00 0.00 175.22 173.42 1oo3 s SER 73 N -2.80 5.78 0.00 1.98 1.04 -1.26 -4.73 113.70 113.70 1oo3 s SER 73 Ca 0.03 -1.90 0.00 0.00 0.48 0.00 0.00 55.95 54.57 1oo3 s SER 73 Cb 0.01 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.55 1oo3 s SER 73 CO -0.11 -2.28 0.00 -0.67 0.98 0.00 0.00 173.24 171.16 1oo3 n ASP 74 N 11.87 0.00 -0.60 7.02 -0.08 -1.26 -5.08 116.55 128.43 1oo3 n ASP 74 Ca 0.46 0.00 0.07 0.00 -1.51 0.00 0.00 54.79 53.80 1oo3 n ASP 74 Cb 0.47 0.00 0.18 0.00 2.34 0.00 0.00 41.12 44.11 1oo3 n ASP 74 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1oo3 n SER 75 N 0.00 3.17 0.07 1.67 2.88 -1.26 -4.79 113.62 115.36 1oo3 n SER 75 Ca 0.00 -2.61 -0.18 0.00 -1.33 0.00 0.00 58.87 54.75 1oo3 n SER 75 Cb 0.00 -0.37 -0.10 0.00 -0.75 0.00 0.00 64.21 62.99 1oo3 n SER 75 CO 0.00 0.00 0.00 0.17 -1.23 0.00 0.00 175.04 173.98 1oo3 h LEU 76 N 1.41 0.74 0.00 2.46 -0.00 -1.98 -3.49 115.31 114.46 1oo3 h LEU 76 Ca 0.00 -0.64 0.00 0.00 -0.00 0.00 0.00 57.88 57.24 1oo3 h LEU 76 Cb 1.06 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 41.49 1oo3 h LEU 76 CO 0.10 1.45 0.00 0.35 -0.00 0.00 0.00 178.44 180.34 1oo3 n THR 77 N -3.77 0.00 -3.66 0.15 -2.24 -1.26 -4.95 114.28 98.55 1oo3 n THR 77 Ca -0.10 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.55 1oo3 n THR 77 Cb 0.92 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 69.08 1oo3 n THR 77 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1oo3 s PHE 78 N 0.00 -0.26 0.10 4.78 -0.12 -1.26 -4.40 117.98 116.82 1oo3 s PHE 78 Ca 0.00 0.18 0.00 0.00 -0.05 0.00 0.00 56.93 57.06 1oo3 s PHE 78 Cb 0.00 0.22 0.00 0.00 -0.63 0.00 0.00 43.02 42.61 1oo3 s PHE 78 CO 0.00 -0.59 0.00 -1.71 -0.05 0.00 0.00 175.22 172.87 1oo3 n ASN 79 N 0.41 -0.70 -3.74 1.98 2.85 0.10 -4.71 115.26 111.44 1oo3 n ASN 79 Ca -0.18 0.18 -0.06 0.00 -0.11 0.00 0.00 54.58 54.41 1oo3 n ASN 79 Cb 0.60 0.94 -0.02 0.00 1.24 0.00 0.00 39.78 42.55 1oo3 n ASN 79 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1oo3 s SER 80 N -2.12 -0.26 -0.29 1.20 0.15 0.13 -5.01 113.70 107.51 1oo3 s SER 80 Ca 0.00 -0.41 0.09 0.00 0.70 0.00 0.00 55.95 56.33 1oo3 s SER 80 Cb 0.00 0.58 0.47 0.00 -1.71 0.00 0.00 66.02 65.35 1oo3 s SER 80 CO 0.00 -1.04 1.18 1.33 1.20 0.00 0.00 173.24 175.90 1oo3 n VAL 81 N -0.44 2.36 0.00 4.45 0.24 -1.26 -4.52 118.33 119.16 1oo3 n VAL 81 Ca -0.06 -4.05 0.00 0.00 -2.04 0.00 0.00 64.34 58.19 1oo3 n VAL 81 Cb 0.61 -0.81 0.00 0.00 -1.47 0.00 0.00 33.84 32.16 1oo3 n VAL 81 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 1oo3 n VAL 82 N -0.69 0.00 -0.10 3.34 3.14 -1.26 -4.75 118.33 118.01 1oo3 n VAL 82 Ca 0.39 0.00 -0.06 0.00 -2.96 0.00 0.00 64.34 61.71 1oo3 n VAL 82 Cb 0.95 -0.22 0.00 0.00 -1.06 0.00 0.00 33.84 33.51 1oo3 n VAL 82 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 1oo3 h GLU 83 N 0.00 0.02 -0.93 1.45 3.07 -1.87 -1.02 114.58 115.30 1oo3 h GLU 83 Ca 0.00 -0.00 0.10 0.00 -0.50 0.00 0.00 59.36 58.96 1oo3 h GLU 83 Cb 0.00 -0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 27.84 1oo3 h GLU 83 CO 0.00 0.01 0.60 -0.07 -1.40 0.00 0.00 179.01 178.15 1oo3 h LEU 84 N 0.02 0.85 0.02 1.33 -0.00 -1.92 -3.32 115.31 112.29 1oo3 h LEU 84 Ca 0.16 0.03 -0.00 0.00 -0.00 0.00 0.00 57.88 58.07 1oo3 h LEU 84 Cb 0.24 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 40.75 1oo3 h LEU 84 CO -0.33 0.50 -0.01 0.40 -0.00 0.00 0.00 178.44 179.00 1oo3 h ILE 85 N 0.94 1.51 -0.52 1.22 1.08 -1.72 -3.46 117.51 116.55 1oo3 h ILE 85 Ca 0.43 -1.74 0.13 0.00 -0.39 0.00 0.00 64.86 63.29 1oo3 h ILE 85 Cb 0.40 2.65 -0.19 0.00 -3.07 0.00 0.00 36.82 36.61 1oo3 h ILE 85 CO -0.19 0.44 -0.17 0.54 -0.69 0.00 0.00 178.15 178.07 1oo3 s ASN 86 N -5.93 -0.84 -0.34 1.72 6.03 -0.44 -4.38 114.94 110.76 1oo3 s ASN 86 Ca -0.17 -0.02 0.05 0.00 -1.03 0.00 0.00 52.86 51.69 1oo3 s ASN 86 Cb -0.01 1.42 0.17 0.00 -3.03 0.00 0.00 41.25 39.81 1oo3 s ASN 86 CO 0.65 -0.14 0.50 -2.28 -2.03 0.00 0.00 177.10 173.80 1oo3 s HIS 87 N 2.68 -1.27 0.00 1.54 2.46 -1.25 -4.71 115.29 114.74 1oo3 s HIS 87 Ca 0.20 0.25 0.00 0.00 0.47 0.00 0.00 55.06 55.98 1oo3 s HIS 87 Cb -0.04 0.03 0.00 0.00 -0.13 0.00 0.00 32.58 32.45 1oo3 s HIS 87 CO -0.21 -1.06 0.00 0.98 -2.47 0.00 0.00 174.74 171.98 1oo3 n TYR 88 N 4.89 0.00 -0.12 3.88 9.36 -1.26 -4.08 117.16 129.83 1oo3 n TYR 88 Ca 0.07 0.00 -0.25 0.00 3.32 0.00 0.00 57.90 61.04 1oo3 n TYR 88 Cb 0.52 0.00 -0.09 0.00 -0.63 0.00 0.00 39.34 39.14 1oo3 n TYR 88 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 1oo3 n ARG 89 N 0.00 0.50 0.00 2.98 0.00 -1.26 -4.54 116.66 114.34 1oo3 n ARG 89 Ca 0.00 0.21 0.08 0.00 -0.00 0.00 0.00 57.85 58.14 1oo3 n ARG 89 Cb 0.00 -1.34 0.39 0.00 0.00 0.00 0.00 32.46 31.51 1oo3 n ARG 89 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1oo3 n ASN 90 N -3.99 0.00 -3.13 6.15 3.02 -1.26 -3.15 115.26 112.91 1oo3 n ASN 90 Ca -0.46 0.25 -0.19 0.00 -0.03 0.00 0.00 54.58 54.15 1oo3 n ASN 90 Cb 0.84 -0.38 -0.03 0.00 -0.61 0.00 0.00 39.78 39.59 1oo3 n ASN 90 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1oo3 n GLU 91 N -1.38 0.84 -3.73 3.52 2.13 -1.26 -4.58 120.64 116.18 1oo3 n GLU 91 Ca 0.06 -3.09 -0.10 0.00 0.66 0.00 0.00 57.16 54.69 1oo3 n GLU 91 Cb 0.16 -1.42 -0.05 0.00 0.27 0.00 0.00 31.44 30.40 1oo3 n GLU 91 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1oo3 s SER 92 N -1.74 -0.20 0.40 4.31 0.15 -1.22 -4.96 113.70 110.44 1oo3 s SER 92 Ca 0.36 -0.48 0.15 0.00 0.70 0.00 0.00 55.95 56.68 1oo3 s SER 92 Cb 0.26 0.52 1.00 0.00 -1.71 0.00 0.00 66.02 66.09 1oo3 s SER 92 CO -0.10 -0.96 1.86 -0.07 1.20 0.00 0.00 173.24 175.17 1oo3 h LEU 93 N 2.31 0.48 0.00 3.45 4.07 -1.89 -2.52 115.31 121.21 1oo3 h LEU 93 Ca -0.31 0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.69 1oo3 h LEU 93 Cb 1.25 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.95 1oo3 h LEU 93 CO 0.42 0.21 0.00 0.00 -1.08 0.00 0.00 178.44 177.99 1oo3 n ALA 94 N -2.49 1.62 0.14 1.53 0.00 -1.26 -3.07 120.51 116.98 1oo3 n ALA 94 Ca 0.19 -0.01 -0.13 0.00 0.00 0.00 0.00 53.44 53.48 1oo3 n ALA 94 Cb 0.63 -1.03 -0.06 0.00 0.00 0.00 0.00 19.45 18.99 1oo3 n ALA 94 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1oo3 h GLN 95 N 0.00 -0.47 0.00 0.00 -0.00 -1.39 -3.41 115.11 109.84 1oo3 h GLN 95 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.68 1oo3 h GLN 95 Cb 0.00 0.11 0.00 0.00 0.00 0.00 0.00 27.48 27.59 1oo3 h GLN 95 CO 0.00 -0.32 -0.85 0.98 0.00 0.00 0.00 178.83 178.65 1oo3 n TYR 96 N -5.37 0.12 -3.57 3.99 9.36 -1.25 -5.01 117.16 115.44 1oo3 n TYR 96 Ca -0.08 0.05 -0.01 0.00 3.32 0.00 0.00 57.90 61.18 1oo3 n TYR 96 Cb 0.28 -0.49 -0.04 0.00 -0.63 0.00 0.00 39.34 38.45 1oo3 n TYR 96 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1oo3 s ASN 97 N -5.71 -1.02 0.44 2.98 3.84 -1.18 -5.00 114.94 109.29 1oo3 s ASN 97 Ca -0.25 1.35 0.22 0.00 0.21 0.00 0.00 52.86 54.40 1oo3 s ASN 97 Cb 0.03 2.12 0.98 0.00 -0.55 0.00 0.00 41.25 43.83 1oo3 s ASN 97 CO 0.36 -0.23 1.87 1.55 -2.79 0.00 0.00 177.10 177.86 1oo3 h PRO 98 N 8.03 0.00 0.16 0.43 0.13 -1.86 -0.04 132.00 138.85 1oo3 h PRO 98 Ca -0.18 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.59 1oo3 h PRO 98 Cb 1.11 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 1oo3 h PRO 98 CO 0.13 0.26 -1.81 1.57 -0.23 0.00 0.00 178.00 177.92 1oo3 h LYS 99 N 0.00 0.34 0.00 0.86 2.10 -1.99 -3.43 116.57 114.45 1oo3 h LYS 99 Ca -0.00 -0.58 0.00 0.00 -2.00 0.00 0.00 60.65 58.06 1oo3 h LYS 99 Cb 0.66 0.22 0.00 0.00 -0.90 0.00 0.00 32.23 32.21 1oo3 h LYS 99 CO 0.03 1.28 -0.08 1.25 -2.00 0.00 0.00 179.45 179.93 1oo3 h LEU 100 N 0.06 0.00 -0.16 7.07 6.46 -1.95 -3.51 115.31 123.27 1oo3 h LEU 100 Ca -0.37 0.00 0.22 0.00 -0.12 0.00 0.00 57.88 57.61 1oo3 h LEU 100 Cb 2.05 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 41.92 1oo3 h LEU 100 CO 0.14 0.40 -0.32 -0.90 -0.62 0.00 0.00 178.44 177.14 1oo3 n ASP 101 N -4.00 -4.79 0.00 1.25 5.75 -0.03 -5.04 116.55 109.69 1oo3 n ASP 101 Ca -0.01 0.36 0.00 0.00 -0.01 0.00 0.00 54.79 55.13 1oo3 n ASP 101 Cb 0.04 -2.75 0.00 0.00 -1.03 0.00 0.00 41.12 37.38 1oo3 n ASP 101 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1oo3 n VAL 102 N -2.69 0.00 -3.71 2.12 0.31 -1.26 -5.00 118.33 108.10 1oo3 n VAL 102 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.11 1oo3 n VAL 102 Cb 0.59 0.00 -0.18 0.00 -0.91 0.00 0.00 33.84 33.35 1oo3 n VAL 102 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1oo3 s LYS 103 N 0.63 0.27 -0.19 5.55 -0.14 -1.26 -4.93 119.74 119.67 1oo3 s LYS 103 Ca 0.00 0.18 0.07 0.00 -1.36 0.00 0.00 55.97 54.87 1oo3 s LYS 103 Cb 0.00 -0.90 0.23 0.00 -1.68 0.00 0.00 37.83 35.48 1oo3 s LYS 103 CO 0.00 -0.36 1.26 1.47 -0.76 0.00 0.00 175.35 176.96 1oo3 n LEU 104 N 5.22 -1.20 -0.65 3.17 -0.00 -1.26 -3.70 117.00 118.57 1oo3 n LEU 104 Ca -0.05 -2.59 0.10 0.00 -0.00 0.00 0.00 56.01 53.46 1oo3 n LEU 104 Cb 0.50 0.09 0.05 0.00 -0.00 0.00 0.00 43.42 44.05 1oo3 n LEU 104 CO 0.09 1.58 0.45 0.00 -0.00 0.00 0.00 177.39 179.51 1oo3 n LEU 105 N -0.87 2.33 -3.30 1.47 -0.00 -1.02 -4.70 117.00 110.92 1oo3 n LEU 105 Ca -0.21 -0.90 -0.26 0.00 -0.00 0.00 0.00 56.01 54.64 1oo3 n LEU 105 Cb 0.78 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 44.13 1oo3 n LEU 105 CO -0.14 0.41 0.03 -1.22 -0.00 0.00 0.00 177.39 176.47 1oo3 n TYR 106 N 0.65 3.05 -2.12 1.47 4.01 0.47 -5.02 117.16 119.66 1oo3 n TYR 106 Ca 0.10 -4.04 -0.42 0.00 -0.16 0.00 0.00 57.90 53.38 1oo3 n TYR 106 Cb 0.46 -0.51 -0.03 0.00 -0.31 0.00 0.00 39.34 38.95 1oo3 n TYR 106 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1oo3 s PRO 107 N -2.47 4.28 -0.85 -0.72 0.04 -1.26 -4.09 135.00 129.92 1oo3 s PRO 107 Ca 0.41 2.11 -0.25 0.00 0.04 0.00 0.00 61.00 63.31 1oo3 s PRO 107 Cb 0.18 -3.38 0.03 0.00 0.04 0.00 0.00 34.50 31.37 1oo3 s PRO 107 CO -0.05 -0.54 1.42 0.08 0.04 0.00 0.00 177.00 177.96 1oo3 s VAL 108 N 1.69 3.76 -0.38 -0.36 1.01 -1.22 -4.76 120.40 120.14 1oo3 s VAL 108 Ca 0.66 -0.12 -0.29 0.00 0.00 0.00 0.00 61.98 62.23 1oo3 s VAL 108 Cb -0.36 -4.86 -0.00 0.00 0.00 0.00 0.00 36.38 31.15 1oo3 s VAL 108 CO 0.30 -1.78 1.55 -0.94 0.00 0.00 0.00 175.10 174.23 1oo3 s SER 109 N 4.77 6.18 -1.55 3.32 1.04 -1.26 -2.69 113.70 123.52 1oo3 s SER 109 Ca 0.44 1.01 -0.14 0.00 0.48 0.00 0.00 55.95 57.73 1oo3 s SER 109 Cb -0.05 -2.53 0.10 0.00 0.10 0.00 0.00 66.02 63.64 1oo3 s SER 109 CO 0.04 -1.52 0.85 0.29 0.98 0.00 0.00 173.24 173.88 1oo3 n LYS 110 N 8.19 -4.54 0.00 4.02 4.76 0.50 -4.83 118.16 126.26 1oo3 n LYS 110 Ca 0.19 0.53 0.00 0.00 -2.87 0.00 0.00 58.31 56.15 1oo3 n LYS 110 Cb 0.47 -5.35 0.00 0.00 -1.84 0.00 0.00 35.03 28.31 1oo3 n LYS 110 CO 0.00 0.00 0.00 0.98 -1.37 0.00 0.00 177.40 177.01