#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ce6 s VAL 2 N 0.00 3.14 0.22 5.15 1.01 -1.26 -2.22 120.40 126.44 2ce6 s VAL 2 Ca 0.00 -0.64 0.08 0.00 0.00 0.00 0.00 61.98 61.42 2ce6 s VAL 2 Cb 0.00 -2.31 -0.05 0.00 0.00 0.00 0.00 36.38 34.02 2ce6 s VAL 2 CO 0.00 0.53 -0.14 -1.10 0.00 0.00 0.00 175.10 174.40 2ce6 s GLN 3 N 0.15 1.36 0.24 2.72 -0.21 -0.46 -4.97 119.66 118.50 2ce6 s GLN 3 Ca -0.06 -1.62 -0.15 0.00 0.02 0.00 0.00 55.36 53.55 2ce6 s GLN 3 Cb -0.15 -1.14 0.01 0.00 1.00 0.00 0.00 33.01 32.73 2ce6 s GLN 3 CO 0.05 0.17 0.53 -1.54 -2.12 0.00 0.00 175.29 172.38 2ce6 s SER 4 N -3.34 -0.16 0.00 5.90 1.04 -1.26 -0.64 113.70 115.25 2ce6 s SER 4 Ca 0.23 -0.76 0.00 0.00 0.48 0.00 0.00 55.95 55.90 2ce6 s SER 4 Cb -0.00 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.73 2ce6 s SER 4 CO 0.08 -1.16 0.00 0.61 0.98 0.00 0.00 173.24 173.75 2ce6 n GLY 5 N -0.38 1.01 3.48 7.32 0.00 -0.78 -4.99 105.19 110.84 2ce6 n GLY 5 Ca -0.04 -0.72 -0.06 0.00 0.00 0.00 0.00 46.02 45.20 2ce6 n GLY 5 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ce6 s LYS 6 N -0.26 0.52 -0.32 1.61 2.20 -1.26 -1.94 119.74 120.29 2ce6 s LYS 6 Ca 0.00 1.16 -0.12 0.00 -0.36 0.00 0.00 55.97 56.65 2ce6 s LYS 6 Cb 0.00 0.36 -0.03 0.00 -1.51 0.00 0.00 37.83 36.65 2ce6 s LYS 6 CO 0.00 -0.19 0.22 0.42 -0.36 0.00 0.00 175.35 175.44 2ce6 s ILE 7 N 2.17 5.24 -0.32 5.43 1.01 0.10 -4.93 121.20 129.91 2ce6 s ILE 7 Ca -0.07 -0.12 -0.16 0.00 0.00 0.00 0.00 60.65 60.29 2ce6 s ILE 7 Cb -0.09 -3.64 -0.02 0.00 0.01 0.00 0.00 42.46 38.72 2ce6 s ILE 7 CO -0.17 0.07 0.43 0.20 0.00 0.00 0.00 174.94 175.48 2ce6 s ASN 8 N 1.73 6.28 0.01 3.58 0.01 -1.26 -1.08 114.94 124.20 2ce6 s ASN 8 Ca 0.06 0.07 0.17 0.00 -0.71 0.00 0.00 52.86 52.45 2ce6 s ASN 8 Cb -0.17 -2.23 -0.18 0.00 0.41 0.00 0.00 41.25 39.08 2ce6 s ASN 8 CO 0.10 -0.34 0.68 0.00 -1.51 0.00 0.00 177.10 176.04 2ce6 n GLY 10 N 1.45 -0.17 3.76 0.00 0.00 -1.24 -4.84 105.19 104.14 2ce6 n GLY 10 Ca -0.13 -1.04 -0.41 0.00 0.00 0.00 0.00 46.02 44.45 2ce6 n GLY 10 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ce6 s ASP 11 N -4.00 6.98 0.00 1.61 -1.08 -0.91 -4.09 116.67 115.18 2ce6 s ASP 11 Ca 0.00 2.45 0.19 0.00 -0.52 0.00 0.00 52.55 54.67 2ce6 s ASP 11 Cb 0.00 -2.63 0.87 0.00 -1.46 0.00 0.00 42.92 39.70 2ce6 s ASP 11 CO 0.00 -0.40 1.61 -0.90 0.52 0.00 0.00 175.17 176.00 2ce6 n ASP 12 N 1.53 0.00 0.15 -0.34 5.68 -0.55 -2.43 116.55 120.58 2ce6 n ASP 12 Ca 0.02 0.35 0.14 0.00 -0.50 0.00 0.00 54.79 54.79 2ce6 n ASP 12 Cb 0.43 -0.43 0.69 0.00 -1.14 0.00 0.00 41.12 40.67 2ce6 n ASP 12 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2ce6 h ALA 13 N 2.74 2.17 -0.48 2.12 0.00 -1.91 -1.91 119.26 121.99 2ce6 h ALA 13 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2ce6 h ALA 13 Cb 0.28 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2ce6 h ALA 13 CO 0.00 -0.30 0.00 0.41 0.00 0.00 0.00 179.25 179.36 2ce6 n GLY 14 N -1.56 1.51 3.89 0.00 0.00 -1.02 -4.95 105.19 103.06 2ce6 n GLY 14 Ca 0.03 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 45.13 2ce6 n GLY 14 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2ce6 s TRP 15 N -1.37 3.46 0.19 1.61 0.52 -0.72 -4.98 118.94 117.65 2ce6 s TRP 15 Ca 0.38 0.71 -0.27 0.00 0.02 0.00 0.00 56.10 56.94 2ce6 s TRP 15 Cb 0.20 -2.15 -0.08 0.00 -1.15 0.00 0.00 33.47 30.29 2ce6 s TRP 15 CO 0.28 0.21 0.85 0.00 0.02 0.00 0.00 176.95 178.30 2ce6 s ALA 16 N -1.99 3.40 -0.10 0.98 0.00 -0.73 -4.84 121.76 118.48 2ce6 s ALA 16 Ca 0.45 0.47 -0.28 0.00 0.00 0.00 0.00 51.96 52.59 2ce6 s ALA 16 Cb -0.11 -3.07 -0.02 0.00 0.00 0.00 0.00 23.12 19.93 2ce6 s ALA 16 CO 0.27 0.24 0.95 0.21 0.00 0.00 0.00 175.76 177.44 2ce6 s LYS 17 N -1.08 4.42 0.17 0.00 2.36 -1.26 -1.02 119.74 123.33 2ce6 s LYS 17 Ca 0.38 1.30 0.08 0.00 -2.55 0.00 0.00 55.97 55.18 2ce6 s LYS 17 Cb -0.24 -3.53 -0.04 0.00 -1.05 0.00 0.00 37.83 32.97 2ce6 s LYS 17 CO 0.29 -0.25 -0.16 0.14 1.55 0.00 0.00 175.35 176.91 2ce6 s VAL 18 N 1.79 1.72 0.19 4.02 -7.23 -0.91 -4.95 120.40 115.03 2ce6 s VAL 18 Ca 0.46 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.34 2ce6 s VAL 18 Cb -0.18 -1.87 -0.08 0.00 0.56 0.00 0.00 36.38 34.80 2ce6 s VAL 18 CO 0.19 -0.43 1.27 -2.16 -0.31 0.00 0.00 175.10 173.65 2ce6 s PRO 19 N -3.09 4.42 0.43 4.82 0.04 -1.26 -4.31 135.00 136.06 2ce6 s PRO 19 Ca 0.17 1.98 -0.25 0.00 0.04 0.00 0.00 61.00 62.94 2ce6 s PRO 19 Cb -0.04 -3.22 -0.08 0.00 0.04 0.00 0.00 34.50 31.20 2ce6 s PRO 19 CO 0.06 -0.20 1.31 0.45 0.04 0.00 0.00 177.00 178.67 2ce6 s SER 20 N 0.30 6.12 -0.14 6.66 0.15 -1.26 -4.95 113.70 120.58 2ce6 s SER 20 Ca 0.55 2.67 0.18 0.00 0.70 0.00 0.00 55.95 60.06 2ce6 s SER 20 Cb -0.35 -2.64 0.35 0.00 -1.71 0.00 0.00 66.02 61.68 2ce6 s SER 20 CO 0.37 -0.98 1.22 -0.46 1.20 0.00 0.00 173.24 174.59 2ce6 n ASN 21 N -0.10 2.69 -3.77 5.45 0.23 -1.26 -4.93 115.26 113.57 2ce6 n ASN 21 Ca 0.05 -3.10 -0.24 0.00 -0.53 0.00 0.00 54.58 50.76 2ce6 n ASN 21 Cb 0.44 -0.46 -0.17 0.00 -2.08 0.00 0.00 39.78 37.50 2ce6 n ASN 21 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2ce6 s ASP 22 N -2.67 1.77 0.56 0.53 -1.08 -1.26 -5.03 116.67 109.50 2ce6 s ASP 22 Ca 0.35 -0.19 0.38 0.00 -0.52 0.00 0.00 52.55 52.56 2ce6 s ASP 22 Cb 0.30 -0.47 1.52 0.00 -1.46 0.00 0.00 42.92 42.81 2ce6 s ASP 22 CO 0.04 -0.21 1.72 -0.65 0.52 0.00 0.00 175.17 176.60 2ce6 h PRO 23 N 8.32 0.00 -0.01 4.34 0.11 -2.04 -1.22 132.00 141.49 2ce6 h PRO 23 Ca -0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.92 2ce6 h PRO 23 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2ce6 h PRO 23 CO 0.27 0.00 -0.02 0.41 -0.21 0.00 0.00 178.00 178.46 2ce6 n GLY 24 N -1.77 -0.59 3.09 -0.55 0.00 -1.26 -4.86 105.19 99.25 2ce6 n GLY 24 Ca 0.27 -0.31 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 2ce6 n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ce6 s ARG 25 N -2.08 2.61 0.34 1.61 0.52 -0.46 -5.07 118.95 116.42 2ce6 s ARG 25 Ca 0.41 -0.69 0.08 0.00 -0.52 0.00 0.00 55.73 55.00 2ce6 s ARG 25 Cb 0.21 -2.23 -0.03 0.00 0.52 0.00 0.00 34.95 33.42 2ce6 s ARG 25 CO 0.37 -0.12 0.24 0.16 0.02 0.00 0.00 175.30 175.98 2ce6 s ASP 26 N 1.12 5.04 -1.59 0.23 3.84 -1.26 -4.68 116.67 119.37 2ce6 s ASP 26 Ca -0.02 -0.62 -0.15 0.00 -0.00 0.00 0.00 52.55 51.76 2ce6 s ASP 26 Cb -0.14 -0.85 0.11 0.00 -1.38 0.00 0.00 42.92 40.66 2ce6 s ASP 26 CO -0.06 -0.36 0.87 -3.20 -0.00 0.00 0.00 175.17 172.42 2ce6 n ASN 27 N -1.30 -3.89 -4.76 2.11 5.15 -1.26 -0.13 115.26 111.18 2ce6 n ASN 27 Ca -0.02 -0.88 -0.41 0.00 -0.60 0.00 0.00 54.58 52.67 2ce6 n ASN 27 Cb 0.60 -3.40 -0.03 0.00 -0.53 0.00 0.00 39.78 36.42 2ce6 n ASN 27 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2ce6 s THR 28 N -3.34 3.02 -0.13 -0.44 -4.23 -1.26 -3.59 115.64 105.66 2ce6 s THR 28 Ca 0.64 1.01 -0.08 0.00 -1.18 0.00 0.00 61.69 62.08 2ce6 s THR 28 Cb -0.34 -3.64 0.04 0.00 1.34 0.00 0.00 72.50 69.91 2ce6 s THR 28 CO 0.87 0.23 0.32 -0.13 -0.54 0.00 0.00 174.62 175.37 2ce6 s ARG 29 N -1.55 0.32 -0.00 3.99 0.52 -0.22 -2.13 118.95 119.88 2ce6 s ARG 29 Ca 0.48 0.57 -0.02 0.00 -0.52 0.00 0.00 55.73 56.24 2ce6 s ARG 29 Cb -0.37 0.01 -0.00 0.00 0.52 0.00 0.00 34.95 35.11 2ce6 s ARG 29 CO 0.48 -0.12 0.04 -1.83 0.02 0.00 0.00 175.30 173.89 2ce6 s GLU 30 N 0.90 0.21 -0.81 3.54 -1.05 -0.19 -0.93 118.70 120.38 2ce6 s GLU 30 Ca -0.06 -0.21 -0.14 0.00 -0.15 0.00 0.00 54.97 54.41 2ce6 s GLU 30 Cb -0.07 0.08 0.21 0.00 -0.44 0.00 0.00 34.13 33.92 2ce6 s GLU 30 CO -0.06 -0.04 0.75 -1.17 0.95 0.00 0.00 175.26 175.69 2ce6 s LEU 31 N -0.66 6.72 0.34 1.83 1.98 -0.34 -1.77 118.68 126.78 2ce6 s LEU 31 Ca -0.07 -2.64 -0.21 0.00 -2.89 0.00 0.00 54.13 48.32 2ce6 s LEU 31 Cb -0.05 -2.21 -0.10 0.00 0.66 0.00 0.00 46.19 44.50 2ce6 s LEU 31 CO -0.00 -0.59 0.86 0.00 -1.89 0.00 0.00 176.35 174.74 2ce6 s ALA 32 N 0.25 3.21 -0.00 5.97 0.00 -1.26 -2.29 121.76 127.64 2ce6 s ALA 32 Ca 0.17 0.32 0.02 0.00 0.00 0.00 0.00 51.96 52.47 2ce6 s ALA 32 Cb -0.11 -3.02 -0.00 0.00 0.00 0.00 0.00 23.12 19.98 2ce6 s ALA 32 CO -0.08 0.22 -0.05 0.15 0.00 0.00 0.00 175.76 176.00 2ce6 s LYS 33 N -2.60 0.42 -0.54 0.00 -0.14 0.96 -4.96 119.74 112.87 2ce6 s LYS 33 Ca 0.54 -0.19 -0.09 0.00 -1.36 0.00 0.00 55.97 54.86 2ce6 s LYS 33 Cb -0.13 -0.40 0.14 0.00 -1.68 0.00 0.00 37.83 35.75 2ce6 s LYS 33 CO 0.18 0.11 0.42 1.21 -0.76 0.00 0.00 175.35 176.51 2ce6 s ASN 34 N -0.15 5.81 -0.10 2.83 3.04 -1.26 -1.53 114.94 123.57 2ce6 s ASN 34 Ca 0.02 -2.13 -0.13 0.00 0.04 0.00 0.00 52.86 50.66 2ce6 s ASN 34 Cb -0.02 -2.03 -0.05 0.00 -1.54 0.00 0.00 41.25 37.61 2ce6 s ASN 34 CO -0.00 -0.65 0.30 -0.63 -3.04 0.00 0.00 177.10 173.09 2ce6 s ILE 35 N 1.03 5.26 -0.11 -5.21 1.09 0.52 -4.94 121.20 118.85 2ce6 s ILE 35 Ca 0.09 0.58 -0.01 0.00 -1.10 0.00 0.00 60.65 60.21 2ce6 s ILE 35 Cb -0.24 -3.62 -0.03 0.00 -1.06 0.00 0.00 42.46 37.52 2ce6 s ILE 35 CO -0.02 0.49 -0.05 -0.89 -0.10 0.00 0.00 174.94 174.37 2ce6 s THR 36 N -0.27 3.81 0.43 2.92 2.01 -1.26 0.41 115.64 123.69 2ce6 s THR 36 Ca 0.19 -0.42 -0.24 0.00 0.31 0.00 0.00 61.69 61.53 2ce6 s THR 36 Cb -0.14 -2.61 -0.08 0.00 0.01 0.00 0.00 72.50 69.69 2ce6 s THR 36 CO 0.07 0.56 1.13 -0.36 -0.69 0.00 0.00 174.62 175.33 2ce6 s PHE 37 N -0.32 3.03 0.12 4.92 0.40 -0.17 -4.95 117.98 121.01 2ce6 s PHE 37 Ca 0.05 1.57 -0.18 0.00 -0.60 0.00 0.00 56.93 57.77 2ce6 s PHE 37 Cb -0.12 -3.30 -0.03 0.00 0.51 0.00 0.00 43.02 40.07 2ce6 s PHE 37 CO 0.02 -1.20 1.71 0.00 0.70 0.00 0.00 175.22 176.45 2ce6 h ALA 38 N 2.29 0.40 -2.92 5.36 0.00 -1.99 -3.38 119.26 119.02 2ce6 h ALA 38 Ca -0.49 -0.09 -0.71 0.00 0.00 0.00 0.00 54.91 53.63 2ce6 h ALA 38 Cb 1.23 -0.12 -0.27 0.00 0.00 0.00 0.00 17.79 18.63 2ce6 h ALA 38 CO 0.61 -0.06 -0.53 -1.12 0.00 0.00 0.00 179.25 178.15 2ce6 s SER 39 N -5.64 5.58 0.65 0.00 0.01 -1.26 -5.09 113.70 107.95 2ce6 s SER 39 Ca -0.13 -1.17 -0.17 0.00 1.31 0.00 0.00 55.95 55.79 2ce6 s SER 39 Cb 0.09 -1.96 -0.04 0.00 0.21 0.00 0.00 66.02 64.32 2ce6 s SER 39 CO 0.72 -0.40 0.83 -2.65 0.41 0.00 0.00 173.24 172.15 2ce6 n PRO 40 N 4.92 0.63 -3.36 12.44 -0.02 -1.26 -5.01 135.00 143.34 2ce6 n PRO 40 Ca -0.12 0.26 -0.18 0.00 -2.02 0.00 0.00 63.50 61.44 2ce6 n PRO 40 Cb 0.45 -2.07 -0.00 0.00 -0.02 0.00 0.00 33.50 31.86 2ce6 n PRO 40 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 2ce6 s TYR 41 N -1.69 3.02 -0.07 6.00 1.51 0.16 -5.01 117.35 121.27 2ce6 s TYR 41 Ca 0.73 -0.27 -0.11 0.00 -1.01 0.00 0.00 57.07 56.41 2ce6 s TYR 41 Cb -0.39 -2.09 -0.07 0.00 -0.11 0.00 0.00 41.96 39.30 2ce6 s TYR 41 CO 0.50 -0.11 0.42 0.00 -1.11 0.00 0.00 175.55 175.25 2ce6 s ARG 43 N -2.55 1.71 -0.39 0.00 0.52 -1.26 -4.78 118.95 112.21 2ce6 s ARG 43 Ca -0.06 -1.54 -0.43 0.00 -0.52 0.00 0.00 55.73 53.18 2ce6 s ARG 43 Cb 0.00 -1.90 -0.19 0.00 0.52 0.00 0.00 34.95 33.38 2ce6 s ARG 43 CO 0.21 0.38 1.42 -2.30 0.02 0.00 0.00 175.30 175.03 2ce6 n PRO 44 N -0.09 0.00 -1.50 3.54 -0.02 -1.26 -4.64 135.00 131.03 2ce6 n PRO 44 Ca -0.10 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.09 2ce6 n PRO 44 Cb 0.57 -1.41 0.15 0.00 -0.02 0.00 0.00 33.50 32.79 2ce6 n PRO 44 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2ce6 s PRO 45 N 2.33 0.85 -0.02 0.52 0.04 -1.26 -4.57 135.00 132.89 2ce6 s PRO 45 Ca 0.96 0.22 -0.24 0.00 0.04 0.00 0.00 61.00 61.99 2ce6 s PRO 45 Cb -1.37 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 31.31 2ce6 s PRO 45 CO 0.73 -2.38 0.72 0.08 0.04 0.00 0.00 177.00 176.19 2ce6 s VAL 46 N -3.28 4.93 -0.08 -0.36 1.01 0.12 -4.84 120.40 117.89 2ce6 s VAL 46 Ca 0.65 1.50 0.04 0.00 0.00 0.00 0.00 61.98 64.18 2ce6 s VAL 46 Cb -0.14 -4.06 -0.01 0.00 0.00 0.00 0.00 36.38 32.17 2ce6 s VAL 46 CO 0.54 0.30 -0.22 -0.69 0.00 0.00 0.00 175.10 175.02 2ce6 s VAL 47 N 0.44 2.26 -0.04 2.92 1.01 -1.26 -1.26 120.40 124.47 2ce6 s VAL 47 Ca 0.38 -0.97 0.05 0.00 0.00 0.00 0.00 61.98 61.44 2ce6 s VAL 47 Cb -0.19 -1.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 2ce6 s VAL 47 CO 0.20 0.56 -0.18 -0.22 0.00 0.00 0.00 175.10 175.46 2ce6 s LEU 48 N 0.07 2.49 -0.03 3.92 2.96 -0.69 -4.98 118.68 122.42 2ce6 s LEU 48 Ca -0.10 -0.30 0.02 0.00 -0.22 0.00 0.00 54.13 53.54 2ce6 s LEU 48 Cb -0.16 -1.48 -0.03 0.00 0.50 0.00 0.00 46.19 45.02 2ce6 s LEU 48 CO 0.06 0.33 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.60 2ce6 s LEU 49 N -0.66 3.19 -0.04 -0.68 1.02 -1.26 -2.11 118.68 118.13 2ce6 s LEU 49 Ca 0.10 -0.08 -0.02 0.00 0.02 0.00 0.00 54.13 54.16 2ce6 s LEU 49 Cb -0.11 -1.77 0.03 0.00 0.02 0.00 0.00 46.19 44.37 2ce6 s LEU 49 CO 0.00 0.32 0.08 -0.55 0.02 0.00 0.00 176.35 176.22 2ce6 s SER 50 N -1.13 0.60 -0.30 2.29 0.15 0.18 -4.98 113.70 110.50 2ce6 s SER 50 Ca 0.15 0.14 -0.29 0.00 0.70 0.00 0.00 55.95 56.65 2ce6 s SER 50 Cb -0.11 -0.01 0.01 0.00 -1.71 0.00 0.00 66.02 64.20 2ce6 s SER 50 CO 0.05 -0.20 1.18 -0.63 1.20 0.00 0.00 173.24 174.83 2ce6 s ILE 51 N 1.74 4.34 -0.40 6.45 1.01 -1.26 0.81 121.20 133.90 2ce6 s ILE 51 Ca -0.01 1.54 0.04 0.00 0.00 0.00 0.00 60.65 62.22 2ce6 s ILE 51 Cb -0.12 -4.29 0.10 0.00 0.01 0.00 0.00 42.46 38.15 2ce6 s ILE 51 CO -0.04 -0.46 0.98 0.35 0.00 0.00 0.00 174.94 175.77 2ce6 n THR 52 N 5.98 0.75 -3.70 2.92 -2.24 0.01 -4.92 114.28 113.07 2ce6 n THR 52 Ca 0.13 -0.88 -0.13 0.00 -2.27 0.00 0.00 64.05 60.91 2ce6 n THR 52 Cb 0.47 0.65 -0.09 0.00 -2.10 0.00 0.00 70.33 69.25 2ce6 n THR 52 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2ce6 s GLN 53 N -0.84 0.56 -0.14 -0.78 0.74 -1.09 -4.87 119.66 113.24 2ce6 s GLN 53 Ca 0.08 0.70 -0.14 0.00 0.05 0.00 0.00 55.36 56.05 2ce6 s GLN 53 Cb 0.04 0.25 0.04 0.00 1.10 0.00 0.00 33.01 34.45 2ce6 s GLN 53 CO 0.06 -0.08 0.40 -0.51 -0.55 0.00 0.00 175.29 174.61 2ce6 s LEU 54 N 0.38 0.47 -0.29 3.68 1.43 -1.26 -1.71 118.68 121.37 2ce6 s LEU 54 Ca -0.01 0.77 0.02 0.00 -1.03 0.00 0.00 54.13 53.88 2ce6 s LEU 54 Cb -0.04 1.39 0.16 0.00 0.03 0.00 0.00 46.19 47.73 2ce6 s LEU 54 CO -0.01 -0.16 0.41 -0.62 0.23 0.00 0.00 176.35 176.20 2ce6 s ASP 55 N 0.12 0.45 0.02 2.29 -1.08 -0.66 -4.93 116.67 112.88 2ce6 s ASP 55 Ca -0.01 -0.46 0.07 0.00 -0.52 0.00 0.00 52.55 51.63 2ce6 s ASP 55 Cb -0.03 1.07 -0.02 0.00 -1.46 0.00 0.00 42.92 42.48 2ce6 s ASP 55 CO 0.01 -0.35 -0.20 -0.69 0.52 0.00 0.00 175.17 174.45 2ce6 s VAL 56 N 2.48 1.63 0.14 1.11 1.01 -1.26 0.90 120.40 126.42 2ce6 s VAL 56 Ca 0.10 -1.06 -0.31 0.00 0.00 0.00 0.00 61.98 60.71 2ce6 s VAL 56 Cb -0.12 -1.39 -0.09 0.00 0.00 0.00 0.00 36.38 34.78 2ce6 s VAL 56 CO -0.29 0.30 1.43 -0.70 0.00 0.00 0.00 175.10 175.84 2ce6 s GLU 57 N -0.89 4.30 0.30 2.72 2.56 0.25 -4.95 118.70 123.00 2ce6 s GLU 57 Ca 0.07 2.16 0.16 0.00 0.00 0.00 0.00 54.97 57.37 2ce6 s GLU 57 Cb -0.08 -3.21 0.13 0.00 2.00 0.00 0.00 34.13 32.97 2ce6 s GLU 57 CO 0.01 -0.46 1.48 -0.56 -0.56 0.00 0.00 175.26 175.16 2ce6 h GLN 58 N 6.55 0.00 0.00 4.30 -0.00 -1.97 -3.29 115.11 120.70 2ce6 h GLN 58 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.22 2ce6 h GLN 58 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.69 2ce6 h GLN 58 CO 0.86 0.44 0.00 -1.13 -0.00 0.00 0.00 178.83 179.00 2ce6 n SER 59 N -3.22 0.00 -4.18 0.06 3.41 -1.26 -4.73 113.62 103.70 2ce6 n SER 59 Ca 0.02 0.03 -0.13 0.00 -0.26 0.00 0.00 58.87 58.53 2ce6 n SER 59 Cb 0.70 -0.28 -0.10 0.00 -0.26 0.00 0.00 64.21 64.26 2ce6 n SER 59 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2ce6 s GLN 60 N -2.57 0.87 0.52 4.33 -1.52 -1.24 -5.13 119.66 114.92 2ce6 s GLN 60 Ca 0.17 -1.25 -0.22 0.00 -1.95 0.00 0.00 55.36 52.11 2ce6 s GLN 60 Cb 0.12 -0.44 -0.07 0.00 -0.22 0.00 0.00 33.01 32.41 2ce6 s GLN 60 CO 0.28 0.05 1.15 0.09 -0.25 0.00 0.00 175.29 176.61 2ce6 n ASN 61 N 0.26 1.78 -4.62 5.90 4.13 -1.26 -4.86 115.26 116.59 2ce6 n ASN 61 Ca -0.14 0.95 -0.43 0.00 1.68 0.00 0.00 54.58 56.64 2ce6 n ASN 61 Cb 0.59 -1.46 -0.02 0.00 -1.54 0.00 0.00 39.78 37.34 2ce6 n ASN 61 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2ce6 s LEU 62 N -2.21 3.86 -0.23 3.41 0.20 -1.26 -4.51 118.68 117.95 2ce6 s LEU 62 Ca 0.70 0.78 -0.02 0.00 0.69 0.00 0.00 54.13 56.28 2ce6 s LEU 62 Cb -0.45 -3.48 0.07 0.00 -0.43 0.00 0.00 46.19 41.89 2ce6 s LEU 62 CO 0.51 -0.99 0.03 -0.13 -0.29 0.00 0.00 176.35 175.49 2ce6 s ARG 63 N 3.85 0.84 0.01 1.98 0.52 -1.26 -5.13 118.95 119.76 2ce6 s ARG 63 Ca 0.45 -0.66 -0.06 0.00 -0.52 0.00 0.00 55.73 54.94 2ce6 s ARG 63 Cb -0.11 -2.17 -0.00 0.00 0.52 0.00 0.00 34.95 33.19 2ce6 s ARG 63 CO 0.21 -0.71 0.11 0.14 0.02 0.00 0.00 175.30 175.07 2ce6 s VAL 64 N 1.73 0.10 -0.01 3.52 -7.23 -1.26 -4.35 120.40 112.89 2ce6 s VAL 64 Ca 0.00 -0.81 0.00 0.00 -1.81 0.00 0.00 61.98 59.37 2ce6 s VAL 64 Cb -0.17 -0.51 0.01 0.00 0.56 0.00 0.00 36.38 36.27 2ce6 s VAL 64 CO -0.11 -0.44 -0.01 -0.63 -0.31 0.00 0.00 175.10 173.59 2ce6 s ILE 65 N -1.66 0.12 -0.55 -0.62 1.01 -0.11 -5.00 121.20 114.38 2ce6 s ILE 65 Ca -0.13 -0.02 -0.17 0.00 0.00 0.00 0.00 60.65 60.33 2ce6 s ILE 65 Cb -0.07 -0.14 0.12 0.00 0.01 0.00 0.00 42.46 42.38 2ce6 s ILE 65 CO -0.00 0.06 0.57 0.00 0.00 0.00 0.00 174.94 175.57 2ce6 s ALA 66 N 0.24 3.55 -0.25 9.38 0.00 -1.26 -1.77 121.76 131.65 2ce6 s ALA 66 Ca -0.02 -2.39 -0.11 0.00 0.00 0.00 0.00 51.96 49.45 2ce6 s ALA 66 Cb -0.04 -3.35 -0.05 0.00 0.00 0.00 0.00 23.12 19.68 2ce6 s ALA 66 CO -0.01 -2.12 0.17 0.50 0.00 0.00 0.00 175.76 174.30 2ce6 s ARG 67 N 2.02 4.03 -0.29 0.00 3.52 -0.33 -4.93 118.95 122.97 2ce6 s ARG 67 Ca 0.06 -0.28 -0.11 0.00 -0.13 0.00 0.00 55.73 55.27 2ce6 s ARG 67 Cb -0.27 -3.58 -0.04 0.00 -1.56 0.00 0.00 34.95 29.50 2ce6 s ARG 67 CO 0.05 -0.01 0.20 -1.17 -0.81 0.00 0.00 175.30 173.55 2ce6 s LEU 68 N 1.27 4.12 -0.22 -0.88 2.96 -1.26 -0.05 118.68 124.62 2ce6 s LEU 68 Ca 0.07 -0.10 -0.18 0.00 -0.22 0.00 0.00 54.13 53.70 2ce6 s LEU 68 Cb -0.14 -2.12 -0.15 0.00 0.50 0.00 0.00 46.19 44.27 2ce6 s LEU 68 CO 0.06 -0.09 -0.00 -1.22 -1.32 0.00 0.00 176.35 173.78 2ce6 n TYR 69 N 5.07 0.69 -3.49 5.38 4.02 0.87 -4.99 117.16 124.71 2ce6 n TYR 69 Ca -0.14 0.30 -0.16 0.00 -0.01 0.00 0.00 57.90 57.89 2ce6 n TYR 69 Cb 0.52 -1.02 -0.05 0.00 -0.02 0.00 0.00 39.34 38.77 2ce6 n TYR 69 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 2ce6 s SER 70 N -6.89 -0.63 -0.08 7.72 1.04 -1.16 -4.98 113.70 108.72 2ce6 s SER 70 Ca -0.30 0.51 0.00 0.00 0.48 0.00 0.00 55.95 56.64 2ce6 s SER 70 Cb 0.08 0.56 0.02 0.00 0.10 0.00 0.00 66.02 66.78 2ce6 s SER 70 CO 0.52 -0.71 -0.06 -0.69 0.98 0.00 0.00 173.24 173.28 2ce6 s VAL 71 N -1.94 0.78 0.47 5.02 1.01 -1.26 -1.31 120.40 123.17 2ce6 s VAL 71 Ca -0.07 -0.20 0.05 0.00 0.00 0.00 0.00 61.98 61.76 2ce6 s VAL 71 Cb -0.00 -0.80 -0.02 0.00 0.00 0.00 0.00 36.38 35.55 2ce6 s VAL 71 CO 0.03 0.30 0.19 -0.94 0.00 0.00 0.00 175.10 174.68 2ce6 s SER 72 N 1.33 4.38 0.57 3.32 1.04 0.13 -4.78 113.70 119.69 2ce6 s SER 72 Ca -0.03 -1.29 0.34 0.00 0.48 0.00 0.00 55.95 55.45 2ce6 s SER 72 Cb -0.14 0.03 1.66 0.00 0.10 0.00 0.00 66.02 67.67 2ce6 s SER 72 CO -0.03 -0.77 2.11 -0.65 0.98 0.00 0.00 173.24 174.87 2ce6 h PRO 73 N 1.24 0.00 0.00 4.02 0.11 -1.85 -3.21 132.00 132.30 2ce6 h PRO 73 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2ce6 h PRO 73 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2ce6 h PRO 73 CO 0.68 0.05 -1.42 0.25 -0.21 0.00 0.00 178.00 177.34 2ce6 n THR 74 N -3.26 0.02 -3.02 -1.15 -2.24 -1.26 0.37 114.28 103.75 2ce6 n THR 74 Ca -0.01 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 2ce6 n THR 74 Cb 0.23 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 2ce6 n THR 74 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ce6 n GLY 75 N 1.38 -1.07 3.46 3.38 0.00 -1.21 -1.00 105.19 110.13 2ce6 n GLY 75 Ca 0.00 -0.76 -0.10 0.00 0.00 0.00 0.00 46.02 45.17 2ce6 n GLY 75 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2ce6 s PHE 76 N -3.00 -0.03 -0.14 1.61 -0.12 0.17 -0.69 117.98 115.77 2ce6 s PHE 76 Ca 0.00 -0.31 0.01 0.00 -0.05 0.00 0.00 56.93 56.58 2ce6 s PHE 76 Cb 0.00 0.29 -0.00 0.00 -0.63 0.00 0.00 43.02 42.68 2ce6 s PHE 76 CO 0.00 -0.85 -0.17 0.21 -0.05 0.00 0.00 175.22 174.35 2ce6 s LYS 77 N -3.88 3.18 0.09 1.99 2.20 -0.43 -0.35 119.74 122.53 2ce6 s LYS 77 Ca 0.10 -0.78 -0.05 0.00 -0.36 0.00 0.00 55.97 54.88 2ce6 s LYS 77 Cb 0.00 -2.55 -0.02 0.00 -1.51 0.00 0.00 37.83 33.75 2ce6 s LYS 77 CO -0.03 0.06 0.11 0.00 -0.36 0.00 0.00 175.35 175.12 2ce6 s ALA 78 N 0.69 0.20 0.01 3.13 0.00 -0.58 -0.09 121.76 125.11 2ce6 s ALA 78 Ca -0.08 -0.96 -0.14 0.00 0.00 0.00 0.00 51.96 50.77 2ce6 s ALA 78 Cb -0.16 0.50 0.02 0.00 0.00 0.00 0.00 23.12 23.48 2ce6 s ALA 78 CO 0.02 -0.47 0.31 -1.54 0.00 0.00 0.00 175.76 174.07 2ce6 s SER 79 N -2.92 -0.17 -0.07 0.00 1.04 0.93 -0.03 113.70 112.49 2ce6 s SER 79 Ca 0.09 -0.01 -0.27 0.00 0.48 0.00 0.00 55.95 56.24 2ce6 s SER 79 Cb 0.06 0.33 -0.03 0.00 0.10 0.00 0.00 66.02 66.48 2ce6 s SER 79 CO -0.08 -0.51 0.89 0.00 0.98 0.00 0.00 173.24 174.52 2ce6 s TYR 81 N 1.34 1.07 0.25 0.00 5.04 -0.73 -1.19 117.35 123.13 2ce6 s TYR 81 Ca 0.45 -0.30 0.02 0.00 -2.44 0.00 0.00 57.07 54.79 2ce6 s TYR 81 Cb -0.19 -0.78 -0.04 0.00 0.35 0.00 0.00 41.96 41.30 2ce6 s TYR 81 CO 0.21 -0.15 0.17 -0.08 -1.34 0.00 0.00 175.55 174.36 2ce6 s THR 82 N 0.38 0.07 0.34 4.34 -1.32 -0.10 -0.94 115.64 118.41 2ce6 s THR 82 Ca -0.07 -2.00 -0.16 0.00 -1.21 0.00 0.00 61.69 58.25 2ce6 s THR 82 Cb -0.11 -2.51 0.04 0.00 -1.51 0.00 0.00 72.50 68.41 2ce6 s THR 82 CO 0.01 0.00 0.73 -1.66 -2.21 0.00 0.00 174.62 171.49 2ce6 s TRP 83 N -3.89 0.11 0.00 9.09 -2.14 -1.26 -1.05 118.94 119.80 2ce6 s TRP 83 Ca 0.39 -0.67 0.00 0.00 2.66 0.00 0.00 56.10 58.48 2ce6 s TRP 83 Cb 0.06 0.69 0.00 0.00 -3.10 0.00 0.00 33.47 31.12 2ce6 s TRP 83 CO 0.17 -1.41 0.00 1.58 -2.66 0.00 0.00 176.95 174.63 2ce6 n HIS 84 N -0.50 0.00 -1.28 1.66 -0.00 0.82 -2.97 115.22 112.94 2ce6 n HIS 84 Ca -0.06 0.00 -0.21 0.00 -0.00 0.00 0.00 57.72 57.45 2ce6 n HIS 84 Cb 0.60 0.02 0.18 0.00 -0.00 0.00 0.00 29.99 30.79 2ce6 n HIS 84 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.34 176.61 2ce6 n ASN 85 N 0.15 3.62 -4.77 0.26 0.23 -1.26 -4.84 115.26 108.64 2ce6 n ASN 85 Ca 0.00 -3.65 -0.40 0.00 -0.53 0.00 0.00 54.58 49.99 2ce6 n ASN 85 Cb 0.00 -0.80 -0.03 0.00 -2.08 0.00 0.00 39.78 36.87 2ce6 n ASN 85 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 2ce6 s THR 86 N -3.34 2.97 -0.24 5.53 2.01 -1.16 -4.82 115.64 116.58 2ce6 s THR 86 Ca 0.55 0.96 0.02 0.00 0.31 0.00 0.00 61.69 63.53 2ce6 s THR 86 Cb 0.47 -3.61 0.05 0.00 0.01 0.00 0.00 72.50 69.42 2ce6 s THR 86 CO 0.08 0.22 -0.12 -0.75 -0.69 0.00 0.00 174.62 173.36 2ce6 s LYS 87 N -1.75 2.48 -0.14 4.92 2.47 -1.26 -4.86 119.74 121.61 2ce6 s LYS 87 Ca 0.48 -1.19 -0.04 0.00 -1.56 0.00 0.00 55.97 53.67 2ce6 s LYS 87 Cb -0.37 -2.83 -0.03 0.00 -1.46 0.00 0.00 37.83 33.14 2ce6 s LYS 87 CO 0.48 -0.47 -0.01 0.14 0.16 0.00 0.00 175.35 175.65 2ce6 s VAL 88 N 1.17 4.15 -0.06 4.02 -7.23 -1.26 -0.58 120.40 120.61 2ce6 s VAL 88 Ca -0.05 -0.28 0.05 0.00 -1.81 0.00 0.00 61.98 59.90 2ce6 s VAL 88 Cb -0.18 -2.80 -0.24 0.00 0.56 0.00 0.00 36.38 33.72 2ce6 s VAL 88 CO -0.07 0.53 0.59 1.88 -0.31 0.00 0.00 175.10 177.72 2ce6 h TYR 89 N 6.18 0.18 -2.74 2.82 -1.99 0.23 -1.45 116.97 120.19 2ce6 h TYR 89 Ca -0.39 -0.13 -0.03 0.00 2.00 0.00 0.00 58.73 60.18 2ce6 h TYR 89 Cb 1.19 -0.01 -0.14 0.00 2.00 0.00 0.00 36.73 39.77 2ce6 h TYR 89 CO 0.57 1.28 0.21 -1.54 -0.00 0.00 0.00 178.16 178.67 2ce6 s SER 90 N -6.46 -0.59 -0.26 3.88 1.04 -1.08 -2.15 113.70 108.07 2ce6 s SER 90 Ca -0.10 0.18 -0.15 0.00 0.48 0.00 0.00 55.95 56.35 2ce6 s SER 90 Cb 0.07 0.58 0.08 0.00 0.10 0.00 0.00 66.02 66.85 2ce6 s SER 90 CO 0.81 -0.88 0.65 -0.32 0.98 0.00 0.00 173.24 174.48 2ce6 s MET 91 N -3.10 0.67 0.06 4.02 1.75 -1.26 -1.65 119.30 119.79 2ce6 s MET 91 Ca -0.02 1.14 0.06 0.00 -1.25 0.00 0.00 55.69 55.62 2ce6 s MET 91 Cb -0.01 0.13 -0.03 0.00 2.84 0.00 0.00 34.83 37.77 2ce6 s MET 91 CO -0.07 -0.15 -0.16 -1.12 -0.65 0.00 0.00 175.02 172.87 2ce6 s SER 92 N 1.53 1.87 -0.12 1.11 0.01 -0.70 -0.82 113.70 116.59 2ce6 s SER 92 Ca -0.09 -0.55 0.00 0.00 1.31 0.00 0.00 55.95 56.61 2ce6 s SER 92 Cb -0.05 -0.10 0.02 0.00 0.21 0.00 0.00 66.02 66.10 2ce6 s SER 92 CO -0.18 0.01 -0.10 -0.63 0.41 0.00 0.00 173.24 172.75 2ce6 s ILE 93 N -1.04 1.18 0.22 1.44 1.01 -0.24 -0.81 121.20 122.95 2ce6 s ILE 93 Ca 0.02 -0.40 -0.05 0.00 0.00 0.00 0.00 60.65 60.21 2ce6 s ILE 93 Cb -0.09 -1.15 -0.06 0.00 0.01 0.00 0.00 42.46 41.17 2ce6 s ILE 93 CO 0.02 0.39 0.47 -0.44 0.00 0.00 0.00 174.94 175.38 2ce6 s SER 94 N 1.51 6.49 0.07 3.58 0.01 0.24 0.03 113.70 125.63 2ce6 s SER 94 Ca 0.02 0.68 -0.08 0.00 1.31 0.00 0.00 55.95 57.88 2ce6 s SER 94 Cb -0.13 -2.13 -0.00 0.00 0.21 0.00 0.00 66.02 63.97 2ce6 s SER 94 CO -0.07 -0.07 0.17 -1.66 0.41 0.00 0.00 173.24 172.02 2ce6 s TRP 95 N -1.86 0.15 0.04 2.43 1.48 -0.82 -0.65 118.94 119.72 2ce6 s TRP 95 Ca 0.43 -0.51 0.03 0.00 -1.06 0.00 0.00 56.10 54.99 2ce6 s TRP 95 Cb -0.11 -0.08 -0.02 0.00 -1.16 0.00 0.00 33.47 32.10 2ce6 s TRP 95 CO 0.26 -0.48 -0.10 0.96 -4.06 0.00 0.00 176.95 173.53 2ce6 s ILE 96 N -3.35 0.76 -0.04 0.66 -4.36 -0.90 -1.87 121.20 112.10 2ce6 s ILE 96 Ca 0.01 -1.02 0.05 0.00 -0.26 0.00 0.00 60.65 59.43 2ce6 s ILE 96 Cb 0.03 -0.76 -0.01 0.00 1.25 0.00 0.00 42.46 42.97 2ce6 s ILE 96 CO -0.08 -0.22 -0.19 -0.94 0.24 0.00 0.00 174.94 173.75 2ce6 s SER 97 N -1.37 2.35 -0.06 4.36 1.04 0.19 -1.70 113.70 118.51 2ce6 s SER 97 Ca -0.05 -0.38 0.01 0.00 0.48 0.00 0.00 55.95 56.01 2ce6 s SER 97 Cb -0.09 -0.59 0.02 0.00 0.10 0.00 0.00 66.02 65.46 2ce6 s SER 97 CO 0.01 0.18 -0.05 -0.63 0.98 0.00 0.00 173.24 173.74 2ce6 s ILE 98 N -0.07 0.62 0.01 -1.02 1.01 -0.39 -1.35 121.20 120.01 2ce6 s ILE 98 Ca -0.02 -0.13 -0.34 0.00 0.00 0.00 0.00 60.65 60.16 2ce6 s ILE 98 Cb -0.11 -0.65 -0.13 0.00 0.01 0.00 0.00 42.46 41.58 2ce6 s ILE 98 CO 0.02 0.26 1.74 -1.84 0.00 0.00 0.00 174.94 175.12 2ce6 n GLU 99 N 4.33 2.12 0.00 2.79 -0.00 -0.94 -0.70 120.64 128.23 2ce6 n GLU 99 Ca -0.20 0.77 0.13 0.00 -0.00 0.00 0.00 57.16 57.86 2ce6 n GLU 99 Cb 0.51 -2.58 0.28 0.00 -0.00 0.00 0.00 31.44 29.65 2ce6 n GLU 99 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42