#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2de6 n TRP 5 N 0.00 2.24 -4.40 1.39 7.02 -1.26 -2.92 117.44 119.51 2de6 n TRP 5 Ca 0.00 0.34 -0.35 0.00 -1.02 0.00 0.00 57.50 56.48 2de6 n TRP 5 Cb 0.00 -2.51 -0.10 0.00 -2.42 0.00 0.00 31.31 26.28 2de6 n TRP 5 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 2de6 s LEU 6 N 0.49 3.52 -0.35 -0.99 2.96 0.18 -4.89 118.68 119.59 2de6 s LEU 6 Ca 0.74 0.11 -0.26 0.00 -0.22 0.00 0.00 54.13 54.49 2de6 s LEU 6 Cb -0.66 -1.80 0.01 0.00 0.50 0.00 0.00 46.19 44.24 2de6 s LEU 6 CO 0.43 0.37 0.94 -0.75 -1.32 0.00 0.00 176.35 176.02 2de6 s LYS 7 N -0.81 3.91 -0.06 1.98 2.20 -1.26 -0.03 119.74 125.67 2de6 s LYS 7 Ca 0.12 0.69 -0.04 0.00 -0.36 0.00 0.00 55.97 56.39 2de6 s LYS 7 Cb -0.11 -3.78 -0.01 0.00 -1.51 0.00 0.00 37.83 32.41 2de6 s LYS 7 CO 0.02 -0.91 -0.08 0.28 -0.36 0.00 0.00 175.35 174.31 2de6 h VAL 8 N 5.78 0.00 -2.21 4.02 2.07 -1.51 -3.49 116.25 120.92 2de6 h VAL 8 Ca -0.23 -0.44 0.12 0.00 0.82 0.00 0.00 66.70 66.98 2de6 h VAL 8 Cb 1.08 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 2de6 h VAL 8 CO 0.98 0.00 0.43 0.00 0.02 0.00 0.00 177.57 179.00 2de6 s ALA 10 N -1.71 3.50 0.58 0.00 0.00 -1.26 0.19 121.76 123.06 2de6 s ALA 10 Ca 0.16 0.16 0.30 0.00 0.00 0.00 0.00 51.96 52.58 2de6 s ALA 10 Cb -0.02 -2.80 1.42 0.00 0.00 0.00 0.00 23.12 21.73 2de6 s ALA 10 CO 0.03 0.27 1.81 0.00 0.00 0.00 0.00 175.76 177.88 2de6 h ALA 11 N 4.87 2.47 -0.33 0.00 0.00 -1.72 0.20 119.26 124.76 2de6 h ALA 11 Ca -0.47 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.33 2de6 h ALA 11 Cb 1.21 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 2de6 h ALA 11 CO 0.66 -0.98 -0.17 1.03 0.00 0.00 0.00 179.25 179.80 2de6 h SER 12 N 0.00 0.58 0.36 0.00 0.87 -1.91 -3.02 113.55 110.43 2de6 h SER 12 Ca 0.32 -0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 2de6 h SER 12 Cb 1.59 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 63.39 2de6 h SER 12 CO -0.00 0.76 0.00 0.44 -0.53 0.00 0.00 176.83 177.50 2de6 h ASP 13 N 0.53 0.00 -3.28 6.23 3.32 -0.98 -3.41 116.42 118.83 2de6 h ASP 13 Ca 0.09 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 56.48 2de6 h ASP 13 Cb 0.59 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 39.84 2de6 h ASP 13 CO 0.04 0.00 -0.78 -0.04 -1.72 0.00 0.00 179.24 176.74 2de6 s MET 14 N -3.50 3.25 0.45 3.56 -1.94 -1.14 -5.06 119.30 114.93 2de6 s MET 14 Ca 0.00 -0.71 -0.17 0.00 -1.71 0.00 0.00 55.69 53.10 2de6 s MET 14 Cb 0.08 -2.78 -0.09 0.00 2.01 0.00 0.00 34.83 34.05 2de6 s MET 14 CO 0.31 -0.11 0.92 -0.65 -0.01 0.00 0.00 175.02 175.48 2de6 s GLN 15 N 1.16 4.04 0.41 2.03 -1.52 -1.26 -4.99 119.66 119.52 2de6 s GLN 15 Ca 0.01 0.93 -0.27 0.00 -1.95 0.00 0.00 55.36 54.09 2de6 s GLN 15 Cb -0.14 -2.21 -0.10 0.00 -0.22 0.00 0.00 33.01 30.34 2de6 s GLN 15 CO -0.04 -0.11 1.46 -1.25 -0.25 0.00 0.00 175.29 175.10 2de6 s PRO 16 N -3.59 3.94 0.00 2.91 0.04 -1.26 -2.47 135.00 134.56 2de6 s PRO 16 Ca 0.59 2.50 0.00 0.00 0.04 0.00 0.00 61.00 64.13 2de6 s PRO 16 Cb -0.10 -2.84 0.00 0.00 0.04 0.00 0.00 34.50 31.60 2de6 s PRO 16 CO 0.23 -0.64 0.00 0.41 0.04 0.00 0.00 177.00 177.03 2de6 n GLY 17 N 0.51 0.55 3.66 0.56 0.00 0.15 -4.91 105.19 105.72 2de6 n GLY 17 Ca 0.03 -0.52 -0.23 0.00 0.00 0.00 0.00 46.02 45.30 2de6 n GLY 17 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2de6 s THR 18 N -2.00 3.20 0.16 2.61 -4.23 -1.03 -4.70 115.64 109.65 2de6 s THR 18 Ca 0.00 -1.87 0.10 0.00 -1.18 0.00 0.00 61.69 58.74 2de6 s THR 18 Cb 0.00 -2.87 -0.04 0.00 1.34 0.00 0.00 72.50 70.93 2de6 s THR 18 CO 0.00 -0.30 -0.23 -0.63 -0.54 0.00 0.00 174.62 172.93 2de6 s ILE 19 N -2.38 2.11 -0.09 2.99 1.01 -1.26 -2.14 121.20 121.44 2de6 s ILE 19 Ca 0.34 -1.89 -0.03 0.00 0.00 0.00 0.00 60.65 59.06 2de6 s ILE 19 Cb -0.04 -1.95 0.05 0.00 0.01 0.00 0.00 42.46 40.52 2de6 s ILE 19 CO 0.20 -0.13 0.17 -0.60 0.00 0.00 0.00 174.94 174.59 2de6 s ARG 20 N -2.50 0.06 0.20 2.79 3.52 0.32 -4.98 118.95 118.37 2de6 s ARG 20 Ca 0.16 0.55 -0.29 0.00 -0.13 0.00 0.00 55.73 56.02 2de6 s ARG 20 Cb -0.08 -0.22 -0.08 0.00 -1.56 0.00 0.00 34.95 33.01 2de6 s ARG 20 CO 0.08 -0.27 0.92 0.50 -0.81 0.00 0.00 175.30 175.72 2de6 s ARG 21 N 2.05 4.79 -0.33 5.12 3.52 -1.26 -0.38 118.95 132.45 2de6 s ARG 21 Ca 0.00 1.44 0.02 0.00 -0.13 0.00 0.00 55.73 57.06 2de6 s ARG 21 Cb -0.12 -3.30 0.09 0.00 -1.56 0.00 0.00 34.95 30.06 2de6 s ARG 21 CO -0.06 0.45 0.04 0.08 -0.81 0.00 0.00 175.30 175.00 2de6 s VAL 22 N -0.88 2.48 -0.01 7.11 1.01 0.41 -4.95 120.40 125.57 2de6 s VAL 22 Ca 0.42 -2.10 -0.30 0.00 0.00 0.00 0.00 61.98 60.00 2de6 s VAL 22 Cb -0.25 -2.71 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 2de6 s VAL 22 CO 0.31 -0.47 0.99 0.20 0.00 0.00 0.00 175.10 176.12 2de6 s ASN 23 N 1.12 7.35 -0.10 3.32 0.01 -1.26 -1.62 114.94 123.75 2de6 s ASN 23 Ca 0.06 1.66 0.02 0.00 -0.71 0.00 0.00 52.86 53.89 2de6 s ASN 23 Cb -0.20 -2.57 -0.02 0.00 0.41 0.00 0.00 41.25 38.88 2de6 s ASN 23 CO -0.06 -0.28 -0.16 -0.13 -1.51 0.00 0.00 177.10 174.95 2de6 s ARG 24 N 1.10 3.00 0.19 -0.60 0.52 -1.26 -5.01 118.95 116.89 2de6 s ARG 24 Ca 0.52 -0.74 -0.32 0.00 -0.52 0.00 0.00 55.73 54.67 2de6 s ARG 24 Cb -0.21 -2.46 -0.12 0.00 0.52 0.00 0.00 34.95 32.68 2de6 s ARG 24 CO 0.27 0.34 1.73 1.33 0.02 0.00 0.00 175.30 178.99 2de6 n VAL 25 N 3.13 0.06 -3.13 3.52 0.24 -1.26 -2.39 118.33 118.49 2de6 n VAL 25 Ca -0.18 -0.01 -0.22 0.00 -2.04 0.00 0.00 64.34 61.89 2de6 n VAL 25 Cb 0.52 -1.97 0.02 0.00 -1.47 0.00 0.00 33.84 30.95 2de6 n VAL 25 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2de6 n GLY 26 N 3.96 -0.51 3.45 7.63 0.00 -1.26 -4.96 105.19 113.50 2de6 n GLY 26 Ca 0.16 0.11 -0.12 0.00 0.00 0.00 0.00 46.02 46.18 2de6 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2de6 s ALA 27 N -3.06 -1.66 0.60 4.61 0.00 -1.01 -5.16 121.76 116.08 2de6 s ALA 27 Ca 0.33 0.67 -0.19 0.00 0.00 0.00 0.00 51.96 52.76 2de6 s ALA 27 Cb -0.16 0.71 -0.03 0.00 0.00 0.00 0.00 23.12 23.64 2de6 s ALA 27 CO 0.40 -0.72 1.25 0.00 0.00 0.00 0.00 175.76 176.70 2de6 s ALA 28 N -3.40 2.54 0.62 0.00 0.00 -1.26 -4.29 121.76 115.97 2de6 s ALA 28 Ca 0.01 1.12 -0.15 0.00 0.00 0.00 0.00 51.96 52.93 2de6 s ALA 28 Cb -0.01 -3.50 -0.02 0.00 0.00 0.00 0.00 23.12 19.59 2de6 s ALA 28 CO -0.10 -1.31 1.07 -1.25 0.00 0.00 0.00 175.76 174.17 2de6 s PRO 29 N -3.26 3.14 0.35 0.00 0.04 -1.26 -4.54 135.00 129.47 2de6 s PRO 29 Ca 0.78 1.23 0.09 0.00 0.04 0.00 0.00 61.00 63.14 2de6 s PRO 29 Cb -0.34 -2.01 -0.06 0.00 0.04 0.00 0.00 34.50 32.13 2de6 s PRO 29 CO 0.37 -0.96 -0.05 -0.51 0.04 0.00 0.00 177.00 175.90 2de6 s LEU 30 N -4.70 2.84 -0.07 -3.56 1.43 -0.64 -1.25 118.68 112.72 2de6 s LEU 30 Ca 0.64 -1.13 0.02 0.00 -1.03 0.00 0.00 54.13 52.64 2de6 s LEU 30 Cb -0.17 -1.13 0.01 0.00 0.03 0.00 0.00 46.19 44.93 2de6 s LEU 30 CO 0.40 -0.23 -0.14 0.00 0.23 0.00 0.00 176.35 176.62 2de6 s ALA 31 N -2.58 1.39 -0.16 4.21 0.00 0.14 -0.45 121.76 124.31 2de6 s ALA 31 Ca 0.34 -0.50 -0.04 0.00 0.00 0.00 0.00 51.96 51.76 2de6 s ALA 31 Cb 0.02 -0.63 -0.03 0.00 0.00 0.00 0.00 23.12 22.48 2de6 s ALA 31 CO 0.18 0.10 -0.04 0.08 0.00 0.00 0.00 175.76 176.08 2de6 s VAL 32 N 0.70 3.83 -0.02 0.00 1.01 0.49 -1.90 120.40 124.52 2de6 s VAL 32 Ca -0.14 -0.37 0.08 0.00 0.00 0.00 0.00 61.98 61.55 2de6 s VAL 32 Cb -0.16 -2.69 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 2de6 s VAL 32 CO 0.03 0.49 -0.25 -0.31 0.00 0.00 0.00 175.10 175.06 2de6 s TYR 33 N 0.47 2.36 -0.37 5.22 1.51 0.08 -0.52 117.35 126.11 2de6 s TYR 33 Ca -0.04 -0.41 -0.06 0.00 -1.01 0.00 0.00 57.07 55.55 2de6 s TYR 33 Cb -0.14 -1.50 0.07 0.00 -0.11 0.00 0.00 41.96 40.27 2de6 s TYR 33 CO 0.03 -0.01 0.15 0.50 -1.11 0.00 0.00 175.55 175.11 2de6 s ARG 34 N -0.67 2.47 -0.38 -0.62 3.52 -0.91 -0.88 118.95 121.49 2de6 s ARG 34 Ca 0.10 -1.40 -0.12 0.00 -0.13 0.00 0.00 55.73 54.18 2de6 s ARG 34 Cb -0.10 -3.53 0.02 0.00 -1.56 0.00 0.00 34.95 29.78 2de6 s ARG 34 CO -0.01 -0.82 0.23 0.08 -0.81 0.00 0.00 175.30 173.97 2de6 s VAL 35 N 1.33 4.77 0.00 7.11 1.01 0.49 0.33 120.40 135.45 2de6 s VAL 35 Ca 0.01 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.23 2de6 s VAL 35 Cb -0.21 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.53 2de6 s VAL 35 CO 0.01 -0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.49 2de6 n GLY 36 N 5.04 1.25 0.10 4.51 0.00 -1.26 -0.91 105.19 113.92 2de6 n GLY 36 Ca -0.12 0.28 0.05 0.00 0.00 0.00 0.00 46.02 46.24 2de6 n GLY 36 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2de6 n ASP 37 N 10.64 1.80 -4.54 1.61 8.00 -1.26 -4.51 116.55 128.29 2de6 n ASP 37 Ca 0.00 -2.50 -0.31 0.00 0.71 0.00 0.00 54.79 52.69 2de6 n ASP 37 Cb 0.00 -0.25 -0.11 0.00 -0.02 0.00 0.00 41.12 40.74 2de6 n ASP 37 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2de6 s GLN 38 N -1.79 2.25 -0.05 -1.24 -1.52 -0.09 -5.13 119.66 112.10 2de6 s GLN 38 Ca 0.17 -0.91 0.04 0.00 -1.95 0.00 0.00 55.36 52.71 2de6 s GLN 38 Cb 0.15 -2.33 -0.03 0.00 -0.22 0.00 0.00 33.01 30.58 2de6 s GLN 38 CO 0.02 0.55 -0.15 -0.06 -0.25 0.00 0.00 175.29 175.40 2de6 s PHE 39 N -1.03 2.68 0.14 0.91 0.40 -1.26 -0.38 117.98 119.45 2de6 s PHE 39 Ca 0.17 -0.17 0.02 0.00 -0.60 0.00 0.00 56.93 56.36 2de6 s PHE 39 Cb -0.11 -1.62 -0.04 0.00 0.51 0.00 0.00 43.02 41.76 2de6 s PHE 39 CO 0.08 0.18 -0.04 0.71 0.70 0.00 0.00 175.22 176.85 2de6 s TYR 40 N -0.73 1.11 -0.04 0.36 2.02 -0.06 -4.76 117.35 115.25 2de6 s TYR 40 Ca 0.11 -0.94 -0.09 0.00 -0.37 0.00 0.00 57.07 55.78 2de6 s TYR 40 Cb -0.11 -0.62 0.02 0.00 -0.40 0.00 0.00 41.96 40.85 2de6 s TYR 40 CO 0.00 -0.14 0.22 0.00 -1.57 0.00 0.00 175.55 174.07 2de6 s ALA 41 N -3.59 -0.54 0.31 3.71 0.00 -1.25 -0.74 121.76 119.67 2de6 s ALA 41 Ca 0.18 0.33 -0.07 0.00 0.00 0.00 0.00 51.96 52.40 2de6 s ALA 41 Cb 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.05 2de6 s ALA 41 CO 0.00 -0.18 0.49 0.95 0.00 0.00 0.00 175.76 177.03 2de6 s THR 42 N -0.70 0.00 0.66 0.00 -4.23 -0.80 -0.81 115.64 109.76 2de6 s THR 42 Ca -0.08 -1.50 -0.18 0.00 -1.18 0.00 0.00 61.69 58.75 2de6 s THR 42 Cb -0.04 -2.53 -0.00 0.00 1.34 0.00 0.00 72.50 71.27 2de6 s THR 42 CO 0.02 0.00 1.28 -1.61 -0.54 0.00 0.00 174.62 173.76 2de6 s GLU 43 N -3.33 2.50 0.09 3.99 2.02 -0.23 -0.69 118.70 123.05 2de6 s GLU 43 Ca 0.27 2.01 0.12 0.00 0.02 0.00 0.00 54.97 57.39 2de6 s GLU 43 Cb -0.01 -1.85 -0.16 0.00 0.10 0.00 0.00 34.13 32.22 2de6 s GLU 43 CO 0.16 -1.63 1.05 0.22 0.02 0.00 0.00 175.26 175.08 2de6 h ASP 44 N 0.43 0.00 -3.27 -0.19 3.58 -1.41 -3.39 116.42 112.17 2de6 h ASP 44 Ca -0.50 0.00 -0.56 0.00 0.42 0.00 0.00 57.03 56.39 2de6 h ASP 44 Cb 1.33 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.34 2de6 h ASP 44 CO 0.53 0.85 0.55 -0.89 -2.88 0.00 0.00 179.24 177.40 2de6 s THR 45 N -2.75 4.79 0.33 2.25 2.01 -1.26 0.14 115.64 121.15 2de6 s THR 45 Ca -0.01 2.04 -0.29 0.00 0.31 0.00 0.00 61.69 63.75 2de6 s THR 45 Cb 0.09 -4.31 -0.11 0.00 0.01 0.00 0.00 72.50 68.17 2de6 s THR 45 CO 0.81 0.02 1.51 0.00 -0.69 0.00 0.00 174.62 176.27 2de6 n THR 47 N 1.27 0.83 1.20 0.00 -2.24 -1.26 -2.47 114.28 111.61 2de6 n THR 47 Ca 0.04 0.19 0.13 0.00 -2.27 0.00 0.00 64.05 62.14 2de6 n THR 47 Cb 0.39 -0.99 0.39 0.00 -2.10 0.00 0.00 70.33 68.02 2de6 n THR 47 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2de6 n HIS 48 N -1.81 0.00 0.00 4.78 -0.00 -1.26 -4.86 115.22 112.07 2de6 n HIS 48 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.75 2de6 n HIS 48 Cb 0.22 -0.17 0.00 0.00 -0.00 0.00 0.00 29.99 30.04 2de6 n HIS 48 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2de6 n GLY 49 N 1.37 0.72 0.15 1.57 0.00 -1.03 -5.02 105.19 102.95 2de6 n GLY 49 Ca 0.11 0.35 0.04 0.00 0.00 0.00 0.00 46.02 46.51 2de6 n GLY 49 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2de6 n ILE 50 N 0.00 0.95 -1.95 -0.61 -5.35 -1.26 -4.64 119.36 106.50 2de6 n ILE 50 Ca 0.00 -1.10 -0.33 0.00 -0.27 0.00 0.00 62.75 61.06 2de6 n ILE 50 Cb 0.00 0.29 0.02 0.00 -1.74 0.00 0.00 39.64 38.21 2de6 n ILE 50 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2de6 s ALA 51 N -1.33 2.68 -0.39 -1.28 0.00 -1.26 -4.84 121.76 115.34 2de6 s ALA 51 Ca 0.12 0.40 -0.14 0.00 0.00 0.00 0.00 51.96 52.34 2de6 s ALA 51 Cb 0.11 -3.24 0.01 0.00 0.00 0.00 0.00 23.12 19.99 2de6 s ALA 51 CO 0.01 -0.94 0.28 0.45 0.00 0.00 0.00 175.76 175.56 2de6 s SER 52 N -2.82 6.08 0.62 0.00 0.15 -1.26 -1.20 113.70 115.26 2de6 s SER 52 Ca 0.64 -0.78 0.38 0.00 0.70 0.00 0.00 55.95 56.89 2de6 s SER 52 Cb -0.17 -2.15 2.02 0.00 -1.71 0.00 0.00 66.02 64.02 2de6 s SER 52 CO 0.39 -0.39 2.25 -0.07 1.20 0.00 0.00 173.24 176.62 2de6 h LEU 53 N 8.58 0.00 -1.10 3.45 3.38 -0.65 -1.21 115.31 127.77 2de6 h LEU 53 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2de6 h LEU 53 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2de6 h LEU 53 CO 0.70 0.02 0.00 0.77 0.09 0.00 0.00 178.44 180.02 2de6 h SER 54 N 0.00 0.00 -0.55 -0.43 4.64 -1.93 0.03 113.55 115.31 2de6 h SER 54 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2de6 h SER 54 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 2de6 h SER 54 CO 0.00 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 2de6 n GLU 55 N -2.43 2.48 -0.16 4.77 1.02 -0.46 -4.82 120.64 121.04 2de6 n GLU 55 Ca 0.01 -2.27 0.00 0.00 -0.02 0.00 0.00 57.16 54.88 2de6 n GLU 55 Cb 0.20 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 2de6 n GLU 55 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2de6 n GLY 56 N 1.51 0.43 3.19 0.62 0.00 -0.01 -4.68 105.19 106.26 2de6 n GLY 56 Ca 0.21 -1.84 -0.30 0.00 0.00 0.00 0.00 46.02 44.08 2de6 n GLY 56 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2de6 s THR 57 N 0.60 1.87 -0.21 2.61 2.01 -0.88 -4.94 115.64 116.70 2de6 s THR 57 Ca 0.00 -0.93 -0.11 0.00 0.31 0.00 0.00 61.69 60.97 2de6 s THR 57 Cb 0.00 -1.62 -0.05 0.00 0.01 0.00 0.00 72.50 70.84 2de6 s THR 57 CO 0.00 0.52 0.16 -0.22 -0.69 0.00 0.00 174.62 174.39 2de6 s LEU 58 N 0.26 4.17 -0.36 4.42 2.96 -1.26 -0.69 118.68 128.18 2de6 s LEU 58 Ca -0.14 0.22 0.01 0.00 -0.22 0.00 0.00 54.13 54.00 2de6 s LEU 58 Cb -0.16 -2.13 0.11 0.00 0.50 0.00 0.00 46.19 44.51 2de6 s LEU 58 CO 0.07 0.12 0.13 -0.62 -1.32 0.00 0.00 176.35 174.73 2de6 s ASP 59 N 0.66 4.08 1.30 3.68 2.15 -0.18 -5.00 116.67 123.37 2de6 s ASP 59 Ca 0.09 -2.07 0.00 0.00 0.43 0.00 0.00 52.55 51.00 2de6 s ASP 59 Cb -0.12 -1.09 0.00 0.00 -0.30 0.00 0.00 42.92 41.40 2de6 s ASP 59 CO 0.01 -0.36 0.00 0.61 -0.17 0.00 0.00 175.17 175.26 2de6 n GLY 60 N 4.30 2.56 1.16 2.66 0.00 -1.26 -2.26 105.19 112.35 2de6 n GLY 60 Ca 0.02 -0.33 0.08 0.00 0.00 0.00 0.00 46.02 45.79 2de6 n GLY 60 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2de6 n ASP 61 N 8.44 4.28 -4.31 1.61 5.75 -1.26 -4.83 116.55 126.24 2de6 n ASP 61 Ca 0.00 -2.81 -0.34 0.00 -0.01 0.00 0.00 54.79 51.63 2de6 n ASP 61 Cb 0.00 -0.54 -0.15 0.00 -1.03 0.00 0.00 41.12 39.40 2de6 n ASP 61 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2de6 s VAL 62 N -2.48 2.98 -0.19 2.12 1.01 -0.96 -0.17 120.40 122.72 2de6 s VAL 62 Ca 0.44 -0.66 -0.09 0.00 0.00 0.00 0.00 61.98 61.67 2de6 s VAL 62 Cb 0.33 -2.29 -0.05 0.00 0.00 0.00 0.00 36.38 34.38 2de6 s VAL 62 CO 0.13 0.50 0.12 -0.51 0.00 0.00 0.00 175.10 175.34 2de6 s ILE 63 N 0.82 5.34 -0.20 2.22 1.10 0.04 -1.01 121.20 129.49 2de6 s ILE 63 Ca -0.04 0.16 -0.07 0.00 -0.51 0.00 0.00 60.65 60.19 2de6 s ILE 63 Cb -0.15 -3.42 -0.04 0.00 0.15 0.00 0.00 42.46 39.01 2de6 s ILE 63 CO 0.01 0.46 0.06 -0.70 -2.11 0.00 0.00 174.94 172.66 2de6 s GLU 64 N 0.19 3.85 0.21 3.50 2.12 0.14 -1.56 118.70 127.14 2de6 s GLU 64 Ca 0.08 -0.40 -0.30 0.00 0.36 0.00 0.00 54.97 54.72 2de6 s GLU 64 Cb -0.11 -3.25 -0.09 0.00 0.26 0.00 0.00 34.13 30.94 2de6 s GLU 64 CO -0.01 0.11 1.30 0.00 -0.54 0.00 0.00 175.26 176.12 2de6 h PRO 66 N 5.22 0.00 0.00 0.00 0.13 -1.85 -2.18 132.00 133.32 2de6 h PRO 66 Ca -0.45 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 2de6 h PRO 66 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2de6 h PRO 66 CO 0.76 0.00 -0.11 0.74 -0.23 0.00 0.00 178.00 179.16 2de6 h PHE 67 N 0.00 0.00 0.00 1.56 -1.00 -1.95 -3.43 116.94 112.13 2de6 h PHE 67 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2de6 h PHE 67 Cb 0.54 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.10 2de6 h PHE 67 CO 0.00 0.48 0.00 0.72 -1.61 0.00 0.00 178.31 177.90 2de6 n HIS 68 N -4.68 0.00 -0.76 -0.55 8.25 -1.26 -5.01 115.22 111.21 2de6 n HIS 68 Ca -0.06 -0.09 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 2de6 n HIS 68 Cb 0.25 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.35 2de6 n HIS 68 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2de6 n GLY 69 N -0.09 0.68 3.68 -1.41 0.00 -0.82 -4.72 105.19 102.50 2de6 n GLY 69 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2de6 n GLY 69 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2de6 s GLY 70 N -1.95 1.60 0.11 -0.02 0.00 -1.23 -4.64 107.32 101.19 2de6 s GLY 70 Ca 0.00 -0.09 -0.15 0.00 0.00 0.00 0.00 44.72 44.48 2de6 s GLY 70 CO 0.00 0.45 0.35 0.00 0.00 0.00 0.00 173.10 173.90 2de6 s ALA 71 N -2.86 -0.78 0.04 3.20 0.00 -1.11 0.08 121.76 120.33 2de6 s ALA 71 Ca 0.65 -0.15 -0.00 0.00 0.00 0.00 0.00 51.96 52.46 2de6 s ALA 71 Cb -0.19 0.62 -0.03 0.00 0.00 0.00 0.00 23.12 23.51 2de6 s ALA 71 CO 0.58 -0.60 -0.03 -0.06 0.00 0.00 0.00 175.76 175.65 2de6 s PHE 72 N -3.70 0.44 -0.18 0.00 0.40 -0.60 0.61 117.98 114.94 2de6 s PHE 72 Ca 0.03 -0.85 -0.24 0.00 -0.60 0.00 0.00 56.93 55.27 2de6 s PHE 72 Cb 0.02 -0.32 -0.02 0.00 0.51 0.00 0.00 43.02 43.22 2de6 s PHE 72 CO -0.11 -0.29 0.78 1.21 0.70 0.00 0.00 175.22 177.51 2de6 s ASN 73 N -2.35 6.88 0.19 1.36 3.84 -0.18 -0.78 114.94 123.90 2de6 s ASN 73 Ca -0.02 1.08 0.22 0.00 0.21 0.00 0.00 52.86 54.35 2de6 s ASN 73 Cb 0.01 -2.43 0.90 0.00 -0.55 0.00 0.00 41.25 39.18 2de6 s ASN 73 CO -0.06 -0.37 1.67 1.33 -2.79 0.00 0.00 177.10 176.88 2de6 n VAL 74 N 4.75 0.81 0.02 -5.21 0.24 0.76 0.11 118.33 119.81 2de6 n VAL 74 Ca 0.03 0.18 -0.21 0.00 -2.04 0.00 0.00 64.34 62.29 2de6 n VAL 74 Cb 0.49 -1.05 -0.14 0.00 -1.47 0.00 0.00 33.84 31.67 2de6 n VAL 74 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2de6 n THR 76 N -3.96 0.60 -0.92 0.00 -2.24 -1.20 -4.98 114.28 101.59 2de6 n THR 76 Ca -0.23 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 60.91 2de6 n THR 76 Cb 0.89 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.92 2de6 n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2de6 n GLY 77 N 1.51 0.78 3.75 3.38 0.00 0.30 -4.82 105.19 110.09 2de6 n GLY 77 Ca -0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 2de6 n GLY 77 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2de6 s MET 78 N -0.08 4.75 0.24 1.61 -1.94 -1.24 0.42 119.30 123.06 2de6 s MET 78 Ca 0.00 1.59 -0.31 0.00 -1.71 0.00 0.00 55.69 55.26 2de6 s MET 78 Cb 0.00 -3.27 -0.13 0.00 2.01 0.00 0.00 34.83 33.43 2de6 s MET 78 CO 0.00 0.35 1.38 -2.30 -0.01 0.00 0.00 175.02 174.44 2de6 n PRO 79 N 1.71 1.98 -0.01 2.03 -0.02 -1.26 -1.01 135.00 138.42 2de6 n PRO 79 Ca -0.01 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 2de6 n PRO 79 Cb 0.47 -2.34 -0.03 0.00 -0.02 0.00 0.00 33.50 31.57 2de6 n PRO 79 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2de6 n ALA 80 N 1.80 2.05 -2.99 3.55 0.00 0.20 -4.80 120.51 120.32 2de6 n ALA 80 Ca 0.11 -0.17 -0.11 0.00 0.00 0.00 0.00 53.44 53.28 2de6 n ALA 80 Cb 0.31 -0.01 -0.12 0.00 0.00 0.00 0.00 19.45 19.63 2de6 n ALA 80 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2de6 s SER 81 N -2.91 0.07 0.81 0.00 0.01 -1.06 -4.88 113.70 105.74 2de6 s SER 81 Ca -0.02 -0.19 -0.10 0.00 1.31 0.00 0.00 55.95 56.95 2de6 s SER 81 Cb 0.02 0.13 0.08 0.00 0.21 0.00 0.00 66.02 66.46 2de6 s SER 81 CO 0.17 -0.20 1.11 -0.94 0.41 0.00 0.00 173.24 173.79 2de6 s SER 82 N -0.83 4.02 0.00 2.44 1.04 -1.26 -2.75 113.70 116.36 2de6 s SER 82 Ca -0.09 1.94 0.25 0.00 0.48 0.00 0.00 55.95 58.53 2de6 s SER 82 Cb -0.06 -2.54 1.36 0.00 0.10 0.00 0.00 66.02 64.88 2de6 s SER 82 CO -0.00 -2.36 1.89 -0.81 0.98 0.00 0.00 173.24 172.94 2de6 n PRO 83 N -3.72 1.18 -1.89 4.02 -0.04 -1.26 -3.56 135.00 129.71 2de6 n PRO 83 Ca 0.10 -0.26 -0.41 0.00 -0.04 0.00 0.00 63.50 62.89 2de6 n PRO 83 Cb 0.53 -1.41 -0.01 0.00 -0.04 0.00 0.00 33.50 32.57 2de6 n PRO 83 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2de6 n THR 85 N 1.05 0.00 -3.22 0.00 -2.24 -1.26 -4.81 114.28 103.80 2de6 n THR 85 Ca 0.03 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.41 2de6 n THR 85 Cb 0.40 -0.03 -0.07 0.00 -2.10 0.00 0.00 70.33 68.53 2de6 n THR 85 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2de6 s VAL 86 N -0.65 5.07 0.47 2.28 1.01 -1.26 -4.85 120.40 122.47 2de6 s VAL 86 Ca 0.00 0.96 -0.24 0.00 0.00 0.00 0.00 61.98 62.70 2de6 s VAL 86 Cb 0.00 -3.85 -0.08 0.00 0.00 0.00 0.00 36.38 32.45 2de6 s VAL 86 CO 0.00 0.11 1.25 -0.81 0.00 0.00 0.00 175.10 175.66 2de6 n PRO 87 N 5.26 1.75 -3.04 2.72 -0.04 -1.26 -4.75 135.00 135.64 2de6 n PRO 87 Ca -0.04 0.63 -0.34 0.00 -0.04 0.00 0.00 63.50 63.71 2de6 n PRO 87 Cb 0.50 -2.40 -0.06 0.00 -0.04 0.00 0.00 33.50 31.49 2de6 n PRO 87 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2de6 s LEU 88 N -2.13 4.17 0.02 1.53 2.96 0.17 -4.99 118.68 120.41 2de6 s LEU 88 Ca 0.65 1.45 -0.30 0.00 -0.22 0.00 0.00 54.13 55.71 2de6 s LEU 88 Cb -0.47 -3.97 -0.05 0.00 0.50 0.00 0.00 46.19 42.20 2de6 s LEU 88 CO 0.55 -0.13 1.19 -0.83 -1.32 0.00 0.00 176.35 175.81 2de6 s GLY 89 N -1.97 2.33 -0.08 7.98 0.00 -1.26 -4.59 107.32 109.73 2de6 s GLY 89 Ca 0.51 0.75 -0.03 0.00 0.00 0.00 0.00 44.72 45.95 2de6 s GLY 89 CO 0.19 2.09 0.05 -1.34 0.00 0.00 0.00 173.10 174.09 2de6 s VAL 90 N 1.48 4.72 -0.03 1.40 -7.23 -1.26 -1.06 120.40 118.41 2de6 s VAL 90 Ca 0.57 -0.13 0.06 0.00 -1.81 0.00 0.00 61.98 60.67 2de6 s VAL 90 Cb -0.27 -3.03 -0.02 0.00 0.56 0.00 0.00 36.38 33.62 2de6 s VAL 90 CO 0.27 0.58 -0.22 -0.36 -0.31 0.00 0.00 175.10 175.05 2de6 s PHE 91 N -0.97 2.46 0.30 2.82 0.40 0.01 -1.61 117.98 121.39 2de6 s PHE 91 Ca 0.15 -0.38 -0.29 0.00 -0.60 0.00 0.00 56.93 55.81 2de6 s PHE 91 Cb -0.12 -1.55 -0.10 0.00 0.51 0.00 0.00 43.02 41.76 2de6 s PHE 91 CO 0.04 0.02 1.32 -1.21 0.70 0.00 0.00 175.22 176.09 2de6 s GLU 92 N -0.60 4.36 0.07 0.44 0.41 -1.26 -3.78 118.70 118.33 2de6 s GLU 92 Ca 0.09 2.19 0.09 0.00 -0.41 0.00 0.00 54.97 56.93 2de6 s GLU 92 Cb -0.11 -3.10 -0.03 0.00 -1.78 0.00 0.00 34.13 29.12 2de6 s GLU 92 CO -0.00 -0.21 -0.23 0.08 -0.49 0.00 0.00 175.26 174.40 2de6 s VAL 93 N -0.83 1.88 -0.07 2.63 1.01 -1.26 -0.33 120.40 123.43 2de6 s VAL 93 Ca 0.51 -1.39 -0.04 0.00 0.00 0.00 0.00 61.98 61.06 2de6 s VAL 93 Cb -0.39 -1.64 0.04 0.00 0.00 0.00 0.00 36.38 34.38 2de6 s VAL 93 CO 0.49 0.18 0.16 -0.70 0.00 0.00 0.00 175.10 175.24 2de6 s GLU 94 N -1.46 0.13 -0.51 2.72 2.12 -0.40 -4.99 118.70 116.31 2de6 s GLU 94 Ca 0.09 0.37 -0.08 0.00 0.36 0.00 0.00 54.97 55.71 2de6 s GLU 94 Cb -0.09 -0.13 0.13 0.00 0.26 0.00 0.00 34.13 34.30 2de6 s GLU 94 CO 0.03 -0.14 0.38 0.08 -0.54 0.00 0.00 175.26 175.06 2de6 s VAL 95 N 1.01 4.17 -0.21 3.70 1.01 -1.26 -1.06 120.40 127.77 2de6 s VAL 95 Ca -0.08 -2.00 -0.04 0.00 0.00 0.00 0.00 61.98 59.87 2de6 s VAL 95 Cb -0.10 -3.74 -0.01 0.00 0.00 0.00 0.00 36.38 32.54 2de6 s VAL 95 CO -0.05 -0.80 -0.05 -0.54 0.00 0.00 0.00 175.10 173.65 2de6 s LYS 96 N 1.09 3.36 -0.91 2.72 1.02 -0.57 -4.57 119.74 121.89 2de6 s LYS 96 Ca 0.08 -0.63 -0.02 0.00 0.02 0.00 0.00 55.97 55.41 2de6 s LYS 96 Cb -0.24 -2.98 0.00 0.00 -0.52 0.00 0.00 37.83 34.10 2de6 s LYS 96 CO -0.02 -0.18 0.77 -1.91 -0.92 0.00 0.00 175.35 173.09 2de6 n GLU 97 N 4.73 -5.14 -2.02 1.68 2.13 -1.26 -2.48 120.64 118.27 2de6 n GLU 97 Ca -0.18 0.61 -0.17 0.00 0.66 0.00 0.00 57.16 58.07 2de6 n GLU 97 Cb 0.51 -4.93 -0.04 0.00 0.27 0.00 0.00 31.44 27.25 2de6 n GLU 97 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2de6 n GLY 98 N -1.28 0.43 3.17 8.31 0.00 -1.26 -4.96 105.19 109.60 2de6 n GLY 98 Ca -0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.61 2de6 n GLY 98 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2de6 s GLU 99 N -4.36 2.07 -0.13 1.61 2.12 -1.04 -1.92 118.70 117.06 2de6 s GLU 99 Ca 0.00 -0.69 -0.19 0.00 0.36 0.00 0.00 54.97 54.44 2de6 s GLU 99 Cb 0.00 -1.75 -0.04 0.00 0.26 0.00 0.00 34.13 32.60 2de6 s GLU 99 CO 0.00 0.26 0.54 0.08 -0.54 0.00 0.00 175.26 175.60 2de6 s VAL 100 N 0.05 5.13 0.03 3.70 1.01 0.13 -1.52 120.40 128.94 2de6 s VAL 100 Ca -0.06 1.06 0.07 0.00 0.00 0.00 0.00 61.98 63.05 2de6 s VAL 100 Cb -0.13 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.36 2de6 s VAL 100 CO 0.03 0.26 -0.19 -0.31 0.00 0.00 0.00 175.10 174.90 2de6 s TYR 101 N 0.97 1.67 -0.04 5.22 2.02 -0.22 -1.18 117.35 125.79 2de6 s TYR 101 Ca 0.28 -0.36 0.06 0.00 -0.37 0.00 0.00 57.07 56.68 2de6 s TYR 101 Cb -0.16 -1.01 -0.01 0.00 -0.40 0.00 0.00 41.96 40.39 2de6 s TYR 101 CO 0.11 0.06 -0.22 0.54 -1.57 0.00 0.00 175.55 174.48 2de6 s VAL 102 N -0.74 1.79 0.56 0.71 0.11 0.96 -1.27 120.40 122.52 2de6 s VAL 102 Ca 0.06 -0.93 -0.21 0.00 -2.93 0.00 0.00 61.98 57.97 2de6 s VAL 102 Cb -0.08 -1.52 -0.05 0.00 -1.53 0.00 0.00 36.38 33.20 2de6 s VAL 102 CO 0.01 0.50 1.25 0.00 -3.33 0.00 0.00 175.10 173.54 2de6 n ALA 103 N 2.93 1.15 0.08 1.54 0.00 0.55 0.48 120.51 127.24 2de6 n ALA 103 Ca -0.17 0.09 -0.01 0.00 0.00 0.00 0.00 53.44 53.36 2de6 n ALA 103 Cb 0.52 -2.28 0.28 0.00 0.00 0.00 0.00 19.45 17.97 2de6 n ALA 103 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2de6 h GLY 104 N 1.13 0.33 -2.29 0.00 0.00 -1.88 -3.45 103.07 96.90 2de6 h GLY 104 Ca -0.50 -0.25 -0.47 0.00 0.00 0.00 0.00 47.33 46.11 2de6 h GLY 104 CO 0.55 0.23 -0.67 -0.54 0.00 0.00 0.00 176.54 176.11 2de6 s GLU 105 N -4.47 1.49 0.38 4.80 8.01 -1.26 -5.07 118.70 122.58 2de6 s GLU 105 Ca -0.05 -1.75 -0.25 0.00 0.01 0.00 0.00 54.97 52.92 2de6 s GLU 105 Cb 0.14 -1.04 -0.09 0.00 -4.31 0.00 0.00 34.13 28.83 2de6 s GLU 105 CO 0.76 0.02 1.11 -1.59 0.01 0.00 0.00 175.26 175.57 2de6 s LYS 106 N -3.75 4.19 0.00 1.61 -2.85 -1.26 -4.52 119.74 113.16 2de6 s LYS 106 Ca 0.29 1.71 0.02 0.00 -1.00 0.00 0.00 55.97 56.99 2de6 s LYS 106 Cb 0.04 -2.71 0.14 0.00 -2.06 0.00 0.00 37.83 33.25 2de6 s LYS 106 CO 0.11 -0.17 0.63 0.36 0.10 0.00 0.00 175.35 176.38