#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2de6 h ILE 4 N 0.00 0.50 -3.15 5.09 5.03 -1.96 -3.26 117.51 119.76 2de6 h ILE 4 Ca 0.00 0.00 -0.67 0.00 -0.12 0.00 0.00 64.86 64.07 2de6 h ILE 4 Cb 0.00 0.50 -0.33 0.00 -3.03 0.00 0.00 36.82 33.96 2de6 h ILE 4 CO 0.00 0.00 -0.83 0.26 -0.68 0.00 0.00 178.15 176.90 2de6 s TRP 5 N -6.09 2.83 -0.22 1.37 0.52 -1.26 -0.70 118.94 115.39 2de6 s TRP 5 Ca -0.15 -1.48 -0.13 0.00 0.02 0.00 0.00 56.10 54.36 2de6 s TRP 5 Cb 0.07 -1.96 -0.05 0.00 -1.15 0.00 0.00 33.47 30.38 2de6 s TRP 5 CO 0.65 -0.75 0.25 -1.17 0.02 0.00 0.00 176.95 175.95 2de6 s LEU 6 N 1.33 4.14 -0.07 2.99 2.96 0.53 -4.88 118.68 125.69 2de6 s LEU 6 Ca 0.05 0.28 -0.30 0.00 -0.22 0.00 0.00 54.13 53.94 2de6 s LEU 6 Cb -0.13 -2.26 -0.04 0.00 0.50 0.00 0.00 46.19 44.25 2de6 s LEU 6 CO -0.11 0.02 1.40 -0.75 -1.32 0.00 0.00 176.35 175.60 2de6 s LYS 7 N 1.07 4.25 -0.14 1.98 2.20 -1.26 -0.97 119.74 126.88 2de6 s LYS 7 Ca 0.12 1.90 -0.13 0.00 -0.36 0.00 0.00 55.97 57.50 2de6 s LYS 7 Cb -0.14 -3.73 -0.04 0.00 -1.51 0.00 0.00 37.83 32.41 2de6 s LYS 7 CO 0.05 -0.67 -0.24 0.28 -0.36 0.00 0.00 175.35 174.41 2de6 n VAL 8 N 5.07 1.22 -3.92 4.02 0.31 0.37 -4.96 118.33 120.44 2de6 n VAL 8 Ca 0.14 0.22 0.02 0.00 -0.01 0.00 0.00 64.34 64.72 2de6 n VAL 8 Cb 0.44 -2.22 0.01 0.00 -0.91 0.00 0.00 33.84 31.16 2de6 n VAL 8 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2de6 s ALA 10 N -2.09 3.31 0.40 0.00 0.00 -1.26 -0.03 121.76 122.09 2de6 s ALA 10 Ca 0.27 0.81 0.13 0.00 0.00 0.00 0.00 51.96 53.16 2de6 s ALA 10 Cb 0.00 -3.30 0.95 0.00 0.00 0.00 0.00 23.12 20.78 2de6 s ALA 10 CO -0.01 -0.13 1.92 0.00 0.00 0.00 0.00 175.76 177.54 2de6 h ALA 11 N 3.49 1.98 0.00 0.00 0.00 -1.36 0.15 119.26 123.52 2de6 h ALA 11 Ca -0.47 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 2de6 h ALA 11 Cb 1.21 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 2de6 h ALA 11 CO 0.66 -0.18 -0.04 1.03 0.00 0.00 0.00 179.25 180.72 2de6 h SER 12 N 0.53 0.00 0.60 0.00 0.87 -1.91 -2.52 113.55 111.13 2de6 h SER 12 Ca 0.37 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.93 2de6 h SER 12 Cb 0.71 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.67 2de6 h SER 12 CO -0.14 0.04 0.00 0.47 -0.53 0.00 0.00 176.83 176.68 2de6 n ASP 13 N -3.60 0.00 -4.24 6.23 8.00 0.52 -4.70 116.55 118.76 2de6 n ASP 13 Ca -0.02 0.26 -0.33 0.00 0.71 0.00 0.00 54.79 55.41 2de6 n ASP 13 Cb 0.15 -0.40 -0.16 0.00 -0.02 0.00 0.00 41.12 40.68 2de6 n ASP 13 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2de6 s MET 14 N -2.81 3.14 0.37 -1.24 -1.94 -0.95 -5.03 119.30 110.84 2de6 s MET 14 Ca 0.15 -0.80 -0.14 0.00 -1.71 0.00 0.00 55.69 53.19 2de6 s MET 14 Cb 0.15 -2.49 -0.08 0.00 2.01 0.00 0.00 34.83 34.41 2de6 s MET 14 CO 0.37 0.07 0.77 -0.65 -0.01 0.00 0.00 175.02 175.58 2de6 s GLN 15 N 0.64 3.94 0.31 2.03 -1.52 -1.26 -5.00 119.66 118.80 2de6 s GLN 15 Ca -0.10 0.65 -0.29 0.00 -1.95 0.00 0.00 55.36 53.67 2de6 s GLN 15 Cb -0.16 -2.38 -0.12 0.00 -0.22 0.00 0.00 33.01 30.13 2de6 s GLN 15 CO 0.02 0.06 1.48 -2.30 -0.25 0.00 0.00 175.29 174.30 2de6 n PRO 16 N -0.75 2.46 -1.00 2.91 -0.02 -1.26 -2.48 135.00 134.85 2de6 n PRO 16 Ca 0.04 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 2de6 n PRO 16 Cb 0.53 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 2de6 n PRO 16 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2de6 n GLY 17 N 1.55 0.46 3.75 -1.23 0.00 0.15 -4.91 105.19 104.96 2de6 n GLY 17 Ca 0.07 -0.95 -0.24 0.00 0.00 0.00 0.00 46.02 44.90 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 2.46 -0.01 2.61 -4.23 -1.03 -4.78 115.64 108.66 2de6 s THR 18 Ca 0.00 -1.66 0.03 0.00 -1.18 0.00 0.00 61.69 58.88 2de6 s THR 18 Cb 0.00 -2.99 -0.01 0.00 1.34 0.00 0.00 72.50 70.84 2de6 s THR 18 CO 0.00 -0.03 -0.09 -0.63 -0.54 0.00 0.00 174.62 173.32 2de6 s ILE 19 N -2.56 0.75 -0.05 2.99 1.01 -1.26 -2.07 121.20 120.02 2de6 s ILE 19 Ca 0.41 -0.40 0.03 0.00 0.00 0.00 0.00 60.65 60.69 2de6 s ILE 19 Cb 0.02 -0.63 0.01 0.00 0.01 0.00 0.00 42.46 41.87 2de6 s ILE 19 CO 0.23 0.21 -0.13 -0.60 0.00 0.00 0.00 174.94 174.65 2de6 s ARG 20 N -0.20 1.54 -0.02 2.79 3.52 0.09 -4.97 118.95 121.70 2de6 s ARG 20 Ca 0.03 -0.45 -0.20 0.00 -0.13 0.00 0.00 55.73 54.99 2de6 s ARG 20 Cb -0.04 -1.32 -0.05 0.00 -1.56 0.00 0.00 34.95 31.98 2de6 s ARG 20 CO -0.00 0.12 0.57 0.50 -0.81 0.00 0.00 175.30 175.68 2de6 s ARG 21 N 0.34 4.30 -0.33 5.12 3.52 -1.26 -0.31 118.95 130.32 2de6 s ARG 21 Ca -0.08 0.69 0.00 0.00 -0.13 0.00 0.00 55.73 56.21 2de6 s ARG 21 Cb -0.13 -3.35 0.08 0.00 -1.56 0.00 0.00 34.95 30.00 2de6 s ARG 21 CO 0.02 0.36 0.04 0.08 -0.81 0.00 0.00 175.30 175.00 2de6 s VAL 22 N -0.15 2.74 0.38 7.11 1.01 0.26 -4.97 120.40 126.79 2de6 s VAL 22 Ca 0.30 -1.83 -0.24 0.00 0.00 0.00 0.00 61.98 60.22 2de6 s VAL 22 Cb -0.18 -2.77 -0.10 0.00 0.00 0.00 0.00 36.38 33.33 2de6 s VAL 22 CO 0.16 -0.36 0.96 0.20 0.00 0.00 0.00 175.10 176.06 2de6 s ASN 23 N 1.28 7.10 -0.04 3.32 0.01 -1.26 -1.09 114.94 124.26 2de6 s ASN 23 Ca 0.01 1.79 -0.00 0.00 -0.71 0.00 0.00 52.86 53.95 2de6 s ASN 23 Cb -0.20 -2.56 0.03 0.00 0.41 0.00 0.00 41.25 38.92 2de6 s ASN 23 CO -0.04 -0.25 0.01 -0.13 -1.51 0.00 0.00 177.10 175.18 2de6 s ARG 24 N -2.61 0.28 0.09 -0.60 0.52 -1.26 -4.96 118.95 110.40 2de6 s ARG 24 Ca 0.56 0.14 -0.31 0.00 -0.52 0.00 0.00 55.73 55.60 2de6 s ARG 24 Cb -0.15 -0.56 -0.09 0.00 0.52 0.00 0.00 34.95 34.67 2de6 s ARG 24 CO 0.19 -0.20 1.74 0.54 0.02 0.00 0.00 175.30 177.59 2de6 s VAL 25 N 1.39 2.84 0.00 3.52 0.11 -1.26 -1.90 120.40 125.10 2de6 s VAL 25 Ca -0.05 0.29 0.00 0.00 -2.93 0.00 0.00 61.98 59.30 2de6 s VAL 25 Cb -0.13 -3.19 0.00 0.00 -1.53 0.00 0.00 36.38 31.53 2de6 s VAL 25 CO -0.03 -0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.35 2de6 n GLY 26 N 4.12 0.90 3.22 6.54 0.00 -1.26 -5.00 105.19 113.71 2de6 n GLY 26 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.65 1.26 0.36 4.61 0.00 -0.80 -5.14 121.76 118.40 2de6 s ALA 27 Ca 0.00 -1.60 -0.26 0.00 0.00 0.00 0.00 51.96 50.10 2de6 s ALA 27 Cb 0.00 0.73 -0.09 0.00 0.00 0.00 0.00 23.12 23.76 2de6 s ALA 27 CO 0.00 -0.39 1.05 0.00 0.00 0.00 0.00 175.76 176.41 2de6 s ALA 28 N -3.80 3.18 0.71 0.00 0.00 -1.26 -4.36 121.76 116.24 2de6 s ALA 28 Ca 0.26 0.73 -0.15 0.00 0.00 0.00 0.00 51.96 52.80 2de6 s ALA 28 Cb 0.07 -3.27 0.03 0.00 0.00 0.00 0.00 23.12 19.94 2de6 s ALA 28 CO 0.05 -0.15 1.17 -1.25 0.00 0.00 0.00 175.76 175.58 2de6 s PRO 29 N -2.16 2.34 0.35 0.00 0.04 -1.26 -4.69 135.00 129.63 2de6 s PRO 29 Ca 0.53 1.63 0.08 0.00 0.04 0.00 0.00 61.00 63.28 2de6 s PRO 29 Cb -0.24 -1.87 -0.05 0.00 0.04 0.00 0.00 34.50 32.38 2de6 s PRO 29 CO 0.30 -1.65 0.12 -0.51 0.04 0.00 0.00 177.00 175.30 2de6 s LEU 30 N -5.08 3.17 -0.09 -3.56 1.43 -0.25 -0.89 118.68 113.41 2de6 s LEU 30 Ca 0.72 -0.88 0.01 0.00 -1.03 0.00 0.00 54.13 52.95 2de6 s LEU 30 Cb -0.26 -1.59 0.02 0.00 0.03 0.00 0.00 46.19 44.39 2de6 s LEU 30 CO 0.44 -0.32 -0.11 0.00 0.23 0.00 0.00 176.35 176.59 2de6 s ALA 31 N -2.48 1.32 -0.19 4.21 0.00 0.34 -0.57 121.76 124.39 2de6 s ALA 31 Ca 0.37 -0.49 -0.05 0.00 0.00 0.00 0.00 51.96 51.80 2de6 s ALA 31 Cb -0.01 -0.72 -0.02 0.00 0.00 0.00 0.00 23.12 22.36 2de6 s ALA 31 CO 0.22 -0.11 -0.01 0.08 0.00 0.00 0.00 175.76 175.94 2de6 s VAL 32 N 1.10 3.94 0.00 0.00 1.01 0.57 -1.48 120.40 125.54 2de6 s VAL 32 Ca -0.06 -0.32 0.04 0.00 0.00 0.00 0.00 61.98 61.64 2de6 s VAL 32 Cb -0.14 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.43 2de6 s VAL 32 CO -0.02 0.44 -0.11 -0.31 0.00 0.00 0.00 175.10 175.11 2de6 s TYR 33 N 0.85 2.78 -0.31 5.22 1.51 0.12 -0.73 117.35 126.79 2de6 s TYR 33 Ca 0.00 -0.11 -0.04 0.00 -1.01 0.00 0.00 57.07 55.92 2de6 s TYR 33 Cb -0.14 -1.58 0.04 0.00 -0.11 0.00 0.00 41.96 40.17 2de6 s TYR 33 CO 0.02 0.31 0.03 0.50 -1.11 0.00 0.00 175.55 175.30 2de6 s ARG 34 N -1.30 2.57 -0.44 -0.62 3.52 -0.88 -0.66 118.95 121.15 2de6 s ARG 34 Ca 0.15 -1.19 -0.09 0.00 -0.13 0.00 0.00 55.73 54.48 2de6 s ARG 34 Cb -0.11 -3.26 0.10 0.00 -1.56 0.00 0.00 34.95 30.12 2de6 s ARG 34 CO 0.06 -0.60 0.29 0.08 -0.81 0.00 0.00 175.30 174.31 2de6 s VAL 35 N 1.32 4.13 0.00 7.11 1.01 0.12 0.30 120.40 134.39 2de6 s VAL 35 Ca -0.03 -1.60 0.00 0.00 0.00 0.00 0.00 61.98 60.35 2de6 s VAL 35 Cb -0.19 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.56 2de6 s VAL 35 CO 0.00 -0.62 0.00 0.61 0.00 0.00 0.00 175.10 175.09 2de6 n GLY 36 N 4.89 2.81 0.66 4.51 0.00 -1.26 -1.65 105.19 115.14 2de6 n GLY 36 Ca -0.09 -0.17 0.06 0.00 0.00 0.00 0.00 46.02 45.83 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 9.37 2.90 -4.83 1.61 9.92 -1.26 -4.47 116.55 129.79 2de6 n ASP 37 Ca 0.00 -1.96 -0.27 0.00 -0.53 0.00 0.00 54.79 52.03 2de6 n ASP 37 Cb 0.00 -0.22 -0.05 0.00 -0.64 0.00 0.00 41.12 40.21 2de6 n ASP 37 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 2de6 s GLN 38 N -1.00 3.03 -0.01 -1.24 -1.52 -0.66 -5.12 119.66 113.15 2de6 s GLN 38 Ca 0.24 -0.79 0.07 0.00 -1.95 0.00 0.00 55.36 52.93 2de6 s GLN 38 Cb 0.12 -2.73 -0.02 0.00 -0.22 0.00 0.00 33.01 30.16 2de6 s GLN 38 CO 0.16 0.50 -0.23 -0.06 -0.25 0.00 0.00 175.29 175.41 2de6 s PHE 39 N -1.72 2.05 0.14 0.91 0.40 -1.26 -0.71 117.98 117.79 2de6 s PHE 39 Ca 0.32 -0.39 0.01 0.00 -0.60 0.00 0.00 56.93 56.27 2de6 s PHE 39 Cb -0.10 -1.30 -0.04 0.00 0.51 0.00 0.00 43.02 42.08 2de6 s PHE 39 CO 0.25 -0.01 0.01 0.71 0.70 0.00 0.00 175.22 176.88 2de6 s TYR 40 N -0.58 1.01 -0.07 0.36 2.02 0.17 -4.68 117.35 115.58 2de6 s TYR 40 Ca 0.09 -1.08 -0.16 0.00 -0.37 0.00 0.00 57.07 55.54 2de6 s TYR 40 Cb -0.09 -0.58 0.03 0.00 -0.40 0.00 0.00 41.96 40.92 2de6 s TYR 40 CO -0.00 -0.32 0.38 0.00 -1.57 0.00 0.00 175.55 174.03 2de6 s ALA 41 N -3.80 -0.95 0.35 3.71 0.00 -1.24 0.12 121.76 119.95 2de6 s ALA 41 Ca 0.21 0.70 0.03 0.00 0.00 0.00 0.00 51.96 52.90 2de6 s ALA 41 Cb 0.07 -0.19 -0.01 0.00 0.00 0.00 0.00 23.12 22.98 2de6 s ALA 41 CO 0.01 -0.24 0.40 0.25 0.00 0.00 0.00 175.76 176.18 2de6 n THR 42 N 1.81 0.00 -1.77 0.00 -2.24 -0.55 -1.16 114.28 110.36 2de6 n THR 42 Ca -0.18 -2.11 -0.33 0.00 -2.27 0.00 0.00 64.05 59.16 2de6 n THR 42 Cb 0.57 1.17 0.05 0.00 -2.10 0.00 0.00 70.33 70.01 2de6 n THR 42 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2de6 s GLU 43 N -3.06 2.79 0.12 -0.78 2.02 -1.12 -0.50 118.70 118.16 2de6 s GLU 43 Ca 0.34 1.44 0.12 0.00 0.02 0.00 0.00 54.97 56.90 2de6 s GLU 43 Cb 0.00 -1.95 -0.13 0.00 0.10 0.00 0.00 34.13 32.16 2de6 s GLU 43 CO 0.25 -1.27 1.12 0.22 0.02 0.00 0.00 175.26 175.60 2de6 h ASP 44 N 0.10 0.00 -3.37 -0.19 3.58 -1.22 -3.38 116.42 111.94 2de6 h ASP 44 Ca -0.47 0.00 -0.55 0.00 0.42 0.00 0.00 57.03 56.43 2de6 h ASP 44 Cb 1.25 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.27 2de6 h ASP 44 CO 0.54 0.80 0.37 -0.89 -2.88 0.00 0.00 179.24 177.18 2de6 s THR 45 N -2.79 4.88 0.28 2.25 2.01 -1.26 0.19 115.64 121.20 2de6 s THR 45 Ca -0.00 1.96 -0.30 0.00 0.31 0.00 0.00 61.69 63.66 2de6 s THR 45 Cb 0.09 -4.28 -0.11 0.00 0.01 0.00 0.00 72.50 68.21 2de6 s THR 45 CO 0.80 0.13 1.56 0.00 -0.69 0.00 0.00 174.62 176.42 2de6 n THR 47 N 2.25 0.98 1.06 0.00 -2.24 -1.26 -2.29 114.28 112.77 2de6 n THR 47 Ca 0.08 0.25 0.12 0.00 -2.27 0.00 0.00 64.05 62.23 2de6 n THR 47 Cb 0.38 -1.06 0.28 0.00 -2.10 0.00 0.00 70.33 67.83 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 -1.70 0.00 0.00 4.78 -0.00 -1.26 -4.85 115.22 112.19 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 0.18 -0.22 0.00 0.00 -0.00 0.00 0.00 29.99 29.96 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 1.46 1.35 0.05 1.57 0.00 -0.97 -5.02 105.19 103.63 2de6 n GLY 49 Ca 0.07 0.22 0.04 0.00 0.00 0.00 0.00 46.02 46.35 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 1.18 -1.93 -0.61 -5.35 -1.26 -4.61 119.36 106.78 2de6 n ILE 50 Ca 0.00 -1.32 -0.33 0.00 -0.27 0.00 0.00 62.75 60.84 2de6 n ILE 50 Cb 0.00 0.28 0.02 0.00 -1.74 0.00 0.00 39.64 38.20 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 -1.53 2.66 -0.34 -1.28 0.00 -1.26 -4.84 121.76 115.16 2de6 s ALA 51 Ca 0.11 0.42 -0.13 0.00 0.00 0.00 0.00 51.96 52.37 2de6 s ALA 51 Cb 0.10 -3.25 -0.01 0.00 0.00 0.00 0.00 23.12 19.95 2de6 s ALA 51 CO 0.01 -0.97 0.24 0.45 0.00 0.00 0.00 175.76 175.48 2de6 s SER 52 N -2.78 6.01 0.56 0.00 0.15 -1.26 -1.11 113.70 115.27 2de6 s SER 52 Ca 0.64 -0.48 0.31 0.00 0.70 0.00 0.00 55.95 57.13 2de6 s SER 52 Cb -0.17 -2.12 1.65 0.00 -1.71 0.00 0.00 66.02 63.66 2de6 s SER 52 CO 0.39 -0.25 2.14 -0.07 1.20 0.00 0.00 173.24 176.65 2de6 h LEU 53 N 8.48 0.00 0.00 3.45 3.38 -0.61 -1.21 115.31 128.81 2de6 h LEU 53 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2de6 h LEU 53 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2de6 h LEU 53 CO 0.64 0.07 0.00 -1.54 0.09 0.00 0.00 178.44 177.70 2de6 n SER 54 N -3.54 0.00 -1.05 -0.43 3.41 -1.26 -1.18 113.62 109.57 2de6 n SER 54 Ca -0.02 0.33 0.10 0.00 -0.26 0.00 0.00 58.87 59.02 2de6 n SER 54 Cb 0.19 -0.42 0.22 0.00 -0.26 0.00 0.00 64.21 63.95 2de6 n SER 54 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2de6 n GLU 55 N -1.42 2.49 0.00 4.33 1.02 -0.46 -4.89 120.64 121.72 2de6 n GLU 55 Ca 0.05 -2.26 0.00 0.00 -0.02 0.00 0.00 57.16 54.93 2de6 n GLU 55 Cb 0.16 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 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 1.27 1.23 3.12 0.62 0.00 -0.32 -4.66 105.19 106.45 2de6 n GLY 56 Ca 0.18 -1.91 -0.30 0.00 0.00 0.00 0.00 46.02 43.99 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 1.52 1.74 -0.26 2.61 2.01 -0.81 -4.94 115.64 117.51 2de6 s THR 57 Ca 0.00 -0.80 -0.17 0.00 0.31 0.00 0.00 61.69 61.03 2de6 s THR 57 Cb 0.00 -1.55 -0.03 0.00 0.01 0.00 0.00 72.50 70.93 2de6 s THR 57 CO 0.00 0.49 0.47 -0.22 -0.69 0.00 0.00 174.62 174.66 2de6 s LEU 58 N 0.77 4.05 -0.44 4.42 2.96 -1.26 -0.88 118.68 128.29 2de6 s LEU 58 Ca -0.10 0.44 0.02 0.00 -0.22 0.00 0.00 54.13 54.27 2de6 s LEU 58 Cb -0.16 -2.58 0.12 0.00 0.50 0.00 0.00 46.19 44.07 2de6 s LEU 58 CO 0.01 -0.25 0.19 -0.62 -1.32 0.00 0.00 176.35 174.36 2de6 s ASP 59 N 1.58 4.74 1.42 3.68 2.15 0.50 -4.98 116.67 125.76 2de6 s ASP 59 Ca 0.19 -2.51 0.00 0.00 0.43 0.00 0.00 52.55 50.66 2de6 s ASP 59 Cb -0.16 -1.69 0.00 0.00 -0.30 0.00 0.00 42.92 40.78 2de6 s ASP 59 CO 0.09 -0.35 0.00 0.61 -0.17 0.00 0.00 175.17 175.35 2de6 n GLY 60 N 3.83 2.96 1.18 2.66 0.00 -1.26 -1.95 105.19 112.61 2de6 n GLY 60 Ca 0.04 -0.18 0.08 0.00 0.00 0.00 0.00 46.02 45.96 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 9.21 4.37 -4.23 1.61 5.75 -1.26 -4.85 116.55 127.16 2de6 n ASP 61 Ca 0.00 -2.90 -0.33 0.00 -0.01 0.00 0.00 54.79 51.55 2de6 n ASP 61 Cb 0.00 -0.56 -0.16 0.00 -1.03 0.00 0.00 41.12 39.37 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 -2.64 2.41 -0.20 2.12 1.01 -0.82 -0.03 120.40 122.25 2de6 s VAL 62 Ca 0.45 -0.86 -0.09 0.00 0.00 0.00 0.00 61.98 61.47 2de6 s VAL 62 Cb 0.35 -1.99 -0.05 0.00 0.00 0.00 0.00 36.38 34.69 2de6 s VAL 62 CO 0.12 0.53 0.11 -0.51 0.00 0.00 0.00 175.10 175.35 2de6 s ILE 63 N 0.77 5.15 -0.22 2.22 1.10 0.50 -0.37 121.20 130.36 2de6 s ILE 63 Ca -0.07 0.10 -0.08 0.00 -0.51 0.00 0.00 60.65 60.09 2de6 s ILE 63 Cb -0.16 -3.35 -0.04 0.00 0.15 0.00 0.00 42.46 39.06 2de6 s ILE 63 CO -0.00 0.43 0.09 -0.70 -2.11 0.00 0.00 174.94 172.65 2de6 s GLU 64 N 0.50 3.87 0.21 3.50 2.12 -0.06 -1.08 118.70 127.76 2de6 s GLU 64 Ca 0.06 -0.38 -0.30 0.00 0.36 0.00 0.00 54.97 54.71 2de6 s GLU 64 Cb -0.12 -3.33 -0.09 0.00 0.26 0.00 0.00 34.13 30.85 2de6 s GLU 64 CO -0.00 0.05 1.35 0.00 -0.54 0.00 0.00 175.26 176.11 2de6 n PRO 66 N 2.64 0.05 -0.08 0.00 -0.04 -1.26 -2.29 135.00 134.03 2de6 n PRO 66 Ca 0.07 0.20 -0.10 0.00 -0.04 0.00 0.00 63.50 63.62 2de6 n PRO 66 Cb 0.42 -1.58 -0.06 0.00 -0.04 0.00 0.00 33.50 32.24 2de6 n PRO 66 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 2de6 h PHE 67 N 0.00 0.00 0.00 0.54 -1.00 -1.95 -3.43 116.94 111.10 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 0.38 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.94 2de6 h PHE 67 CO 0.00 0.63 0.00 0.72 -1.61 0.00 0.00 178.31 178.05 2de6 n HIS 68 N -4.60 0.00 -0.92 -0.55 8.25 -1.26 -5.01 115.22 111.13 2de6 n HIS 68 Ca -0.13 -0.21 0.00 0.00 -0.26 0.00 0.00 57.72 57.12 2de6 n HIS 68 Cb 0.37 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.46 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 -0.21 0.54 3.72 -1.41 0.00 -0.97 -4.71 105.19 102.15 2de6 n GLY 69 Ca 0.00 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.04 1.61 0.10 -0.02 0.00 -1.24 -4.68 107.32 101.05 2de6 s GLY 70 Ca 0.00 -0.16 -0.13 0.00 0.00 0.00 0.00 44.72 44.44 2de6 s GLY 70 CO 0.00 0.35 0.30 0.00 0.00 0.00 0.00 173.10 173.75 2de6 s ALA 71 N -2.98 -0.59 0.06 3.20 0.00 -1.09 0.00 121.76 120.37 2de6 s ALA 71 Ca 0.63 -0.30 0.01 0.00 0.00 0.00 0.00 51.96 52.30 2de6 s ALA 71 Cb -0.18 0.57 -0.04 0.00 0.00 0.00 0.00 23.12 23.48 2de6 s ALA 71 CO 0.57 -0.56 -0.05 -0.06 0.00 0.00 0.00 175.76 175.65 2de6 s PHE 72 N -3.72 0.64 -0.23 0.00 0.40 -0.24 0.65 117.98 115.48 2de6 s PHE 72 Ca 0.03 -0.84 -0.21 0.00 -0.60 0.00 0.00 56.93 55.32 2de6 s PHE 72 Cb 0.03 -0.41 -0.02 0.00 0.51 0.00 0.00 43.02 43.13 2de6 s PHE 72 CO -0.11 -0.22 0.64 1.21 0.70 0.00 0.00 175.22 177.44 2de6 s ASN 73 N -2.52 6.64 0.48 1.36 3.84 -0.27 -0.37 114.94 124.10 2de6 s ASN 73 Ca 0.02 0.78 0.32 0.00 0.21 0.00 0.00 52.86 54.19 2de6 s ASN 73 Cb 0.01 -2.35 1.47 0.00 -0.55 0.00 0.00 41.25 39.84 2de6 s ASN 73 CO -0.05 -0.33 1.96 -0.37 -2.79 0.00 0.00 177.10 175.52 2de6 h VAL 74 N 5.31 0.00 0.20 -5.21 -1.51 -0.79 0.55 116.25 114.79 2de6 h VAL 74 Ca -0.29 -0.28 -0.34 0.00 -1.23 0.00 0.00 66.70 64.56 2de6 h VAL 74 Cb 1.13 1.15 0.02 0.00 -2.13 0.00 0.00 31.29 31.46 2de6 h VAL 74 CO 0.78 0.00 -1.64 0.00 -1.23 0.00 0.00 177.57 175.48 2de6 n THR 76 N -3.66 0.00 -0.98 0.00 -2.24 -1.18 -4.99 114.28 101.22 2de6 n THR 76 Ca -0.23 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 2de6 n THR 76 Cb 1.07 0.15 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 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 1.55 0.81 3.78 3.38 0.00 0.19 -4.82 105.19 110.08 2de6 n GLY 77 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.06 4.48 0.29 1.61 -1.94 -1.25 0.14 119.30 122.57 2de6 s MET 78 Ca 0.00 1.38 -0.30 0.00 -1.71 0.00 0.00 55.69 55.06 2de6 s MET 78 Cb 0.00 -2.73 -0.12 0.00 2.01 0.00 0.00 34.83 33.99 2de6 s MET 78 CO 0.00 0.17 1.53 -2.30 -0.01 0.00 0.00 175.02 174.41 2de6 n PRO 79 N 0.39 2.52 -0.02 2.03 -0.02 -1.26 -1.11 135.00 137.53 2de6 n PRO 79 Ca 0.03 0.89 0.01 0.00 -2.02 0.00 0.00 63.50 62.41 2de6 n PRO 79 Cb 0.50 -2.63 -0.06 0.00 -0.02 0.00 0.00 33.50 31.28 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 1.82 2.10 -3.12 3.55 0.00 0.21 -4.80 120.51 120.27 2de6 n ALA 80 Ca 0.08 -0.34 -0.12 0.00 0.00 0.00 0.00 53.44 53.06 2de6 n ALA 80 Cb 0.36 -0.13 -0.11 0.00 0.00 0.00 0.00 19.45 19.57 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 -3.40 -0.13 0.88 0.00 0.01 -1.08 -4.88 113.70 105.10 2de6 s SER 81 Ca -0.03 0.14 -0.11 0.00 1.31 0.00 0.00 55.95 57.26 2de6 s SER 81 Cb 0.04 0.34 0.12 0.00 0.21 0.00 0.00 66.02 66.73 2de6 s SER 81 CO 0.34 -0.24 1.10 -0.94 0.41 0.00 0.00 173.24 173.91 2de6 s SER 82 N -0.66 3.50 0.00 2.44 1.04 -1.26 -2.65 113.70 116.11 2de6 s SER 82 Ca -0.08 1.84 0.20 0.00 0.48 0.00 0.00 55.95 58.39 2de6 s SER 82 Cb -0.04 -2.44 1.03 0.00 0.10 0.00 0.00 66.02 64.66 2de6 s SER 82 CO 0.01 -2.68 1.68 -0.81 0.98 0.00 0.00 173.24 172.43 2de6 n PRO 83 N -3.94 1.20 -1.91 4.02 -0.04 -1.26 -3.65 135.00 129.43 2de6 n PRO 83 Ca 0.09 -0.31 -0.41 0.00 -0.04 0.00 0.00 63.50 62.83 2de6 n PRO 83 Cb 0.53 -1.32 -0.02 0.00 -0.04 0.00 0.00 33.50 32.65 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 1.86 0.00 -3.34 0.00 -2.24 -1.26 -4.80 114.28 104.50 2de6 n THR 85 Ca 0.06 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.45 2de6 n THR 85 Cb 0.39 0.02 -0.08 0.00 -2.10 0.00 0.00 70.33 68.56 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 -0.51 5.16 0.66 2.28 1.01 -1.26 -4.85 120.40 122.88 2de6 s VAL 86 Ca 0.00 0.75 -0.17 0.00 0.00 0.00 0.00 61.98 62.55 2de6 s VAL 86 Cb 0.00 -3.76 -0.00 0.00 0.00 0.00 0.00 36.38 32.62 2de6 s VAL 86 CO 0.00 0.20 1.23 -2.84 0.00 0.00 0.00 175.10 173.69 2de6 s PRO 87 N 1.67 2.57 0.31 2.72 0.02 -1.26 -4.74 135.00 136.28 2de6 s PRO 87 Ca 0.19 1.88 -0.13 0.00 0.02 0.00 0.00 61.00 62.96 2de6 s PRO 87 Cb -0.15 -1.87 -0.08 0.00 0.02 0.00 0.00 34.50 32.41 2de6 s PRO 87 CO 0.09 -1.53 0.70 -0.51 -0.33 0.00 0.00 177.00 175.41 2de6 s LEU 88 N -4.52 4.07 0.01 -5.54 1.43 0.12 -4.98 118.68 109.27 2de6 s LEU 88 Ca 0.78 1.19 -0.30 0.00 -1.03 0.00 0.00 54.13 54.77 2de6 s LEU 88 Cb -0.32 -3.99 -0.03 0.00 0.03 0.00 0.00 46.19 41.87 2de6 s LEU 88 CO 0.39 -0.19 1.01 -0.83 0.23 0.00 0.00 176.35 176.96 2de6 s GLY 89 N -2.35 2.84 -0.10 -3.19 0.00 -1.26 -4.62 107.32 98.64 2de6 s GLY 89 Ca 0.53 0.59 -0.10 0.00 0.00 0.00 0.00 44.72 45.74 2de6 s GLY 89 CO 0.19 1.73 0.21 -1.34 0.00 0.00 0.00 173.10 173.90 2de6 s VAL 90 N 0.98 5.37 -0.11 1.40 -7.23 -1.26 -2.79 120.40 116.76 2de6 s VAL 90 Ca 0.53 0.38 0.02 0.00 -1.81 0.00 0.00 61.98 61.10 2de6 s VAL 90 Cb -0.22 -3.50 -0.01 0.00 0.56 0.00 0.00 36.38 33.21 2de6 s VAL 90 CO 0.28 0.57 -0.19 -0.36 -0.31 0.00 0.00 175.10 175.09 2de6 s PHE 91 N -0.77 2.67 0.46 2.82 0.40 -0.31 -0.62 117.98 122.63 2de6 s PHE 91 Ca 0.16 -0.89 -0.25 0.00 -0.60 0.00 0.00 56.93 55.36 2de6 s PHE 91 Cb -0.13 -1.77 -0.08 0.00 0.51 0.00 0.00 43.02 41.55 2de6 s PHE 91 CO 0.05 -0.34 1.36 -2.00 0.70 0.00 0.00 175.22 175.00 2de6 s GLU 92 N 0.36 3.66 -0.05 0.44 2.56 -1.26 -3.59 118.70 120.82 2de6 s GLU 92 Ca -0.15 2.27 0.03 0.00 0.00 0.00 0.00 54.97 57.11 2de6 s GLU 92 Cb -0.17 -2.59 0.01 0.00 2.00 0.00 0.00 34.13 33.38 2de6 s GLU 92 CO 0.07 -0.79 -0.11 0.08 -0.56 0.00 0.00 175.26 173.95 2de6 s VAL 93 N -1.26 1.00 0.06 3.70 1.01 -1.26 -0.83 120.40 122.82 2de6 s VAL 93 Ca 0.62 -0.44 0.04 0.00 0.00 0.00 0.00 61.98 62.20 2de6 s VAL 93 Cb -0.41 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 2de6 s VAL 93 CO 0.51 0.31 -0.12 -1.83 0.00 0.00 0.00 175.10 173.98 2de6 s GLU 94 N 0.44 0.72 -0.25 2.72 -1.05 -0.43 -4.94 118.70 115.92 2de6 s GLU 94 Ca -0.09 -0.84 -0.04 0.00 -0.15 0.00 0.00 54.97 53.85 2de6 s GLU 94 Cb -0.13 -0.65 0.01 0.00 -0.44 0.00 0.00 34.13 32.92 2de6 s GLU 94 CO 0.02 0.14 -0.01 0.08 0.95 0.00 0.00 175.26 176.44 2de6 s VAL 95 N -1.22 3.40 -0.14 1.83 1.01 -1.26 -0.78 120.40 123.24 2de6 s VAL 95 Ca -0.04 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.23 2de6 s VAL 95 Cb -0.09 -2.67 0.02 0.00 0.00 0.00 0.00 36.38 33.64 2de6 s VAL 95 CO 0.01 0.25 -0.14 -0.54 0.00 0.00 0.00 175.10 174.68 2de6 s LYS 96 N 1.44 2.30 -1.49 2.72 -0.14 -0.33 -4.71 119.74 119.53 2de6 s LYS 96 Ca 0.03 -0.56 -0.06 0.00 -1.36 0.00 0.00 55.97 54.02 2de6 s LYS 96 Cb -0.16 -2.09 0.01 0.00 -1.68 0.00 0.00 37.83 33.91 2de6 s LYS 96 CO -0.02 -0.21 0.81 0.39 -0.76 0.00 0.00 175.35 175.56 2de6 n GLU 97 N 4.70 -6.00 -0.94 1.68 -0.58 -1.26 -1.65 120.64 116.60 2de6 n GLU 97 Ca -0.17 0.89 0.00 0.00 -0.42 0.00 0.00 57.16 57.45 2de6 n GLU 97 Cb 0.50 -5.81 0.00 0.00 -0.57 0.00 0.00 31.44 25.56 2de6 n GLU 97 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2de6 n GLY 98 N -1.70 0.59 3.73 0.62 0.00 -1.26 -5.01 105.19 102.16 2de6 n GLY 98 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.35 3.32 -0.13 1.61 2.56 -0.66 -0.93 118.70 124.13 2de6 s GLU 99 Ca 0.00 -0.31 -0.19 0.00 0.00 0.00 0.00 54.97 54.47 2de6 s GLU 99 Cb 0.00 -3.00 -0.04 0.00 2.00 0.00 0.00 34.13 33.10 2de6 s GLU 99 CO 0.00 0.64 0.53 0.08 -0.56 0.00 0.00 175.26 175.96 2de6 s VAL 100 N -0.69 5.14 -0.02 3.70 1.01 0.96 -1.18 120.40 129.32 2de6 s VAL 100 Ca 0.12 1.06 0.06 0.00 0.00 0.00 0.00 61.98 63.21 2de6 s VAL 100 Cb -0.12 -3.87 -0.01 0.00 0.00 0.00 0.00 36.38 32.38 2de6 s VAL 100 CO 0.02 0.28 -0.19 -0.31 0.00 0.00 0.00 175.10 174.90 2de6 s TYR 101 N 0.88 1.73 -0.02 5.22 1.51 0.04 -0.48 117.35 126.23 2de6 s TYR 101 Ca 0.28 -0.36 0.08 0.00 -1.01 0.00 0.00 57.07 56.06 2de6 s TYR 101 Cb -0.16 -1.12 -0.02 0.00 -0.11 0.00 0.00 41.96 40.55 2de6 s TYR 101 CO 0.12 -0.05 -0.25 0.54 -1.11 0.00 0.00 175.55 174.79 2de6 s VAL 102 N -0.37 2.14 0.54 0.71 0.11 -0.14 -1.31 120.40 122.08 2de6 s VAL 102 Ca 0.05 -1.09 -0.22 0.00 -2.93 0.00 0.00 61.98 57.80 2de6 s VAL 102 Cb -0.08 -1.75 -0.05 0.00 -1.53 0.00 0.00 36.38 32.97 2de6 s VAL 102 CO -0.00 0.57 1.32 0.00 -3.33 0.00 0.00 175.10 173.66 2de6 s ALA 103 N -0.63 2.83 -0.69 1.54 0.00 -0.01 -0.35 121.76 124.46 2de6 s ALA 103 Ca 0.10 1.26 0.25 0.00 0.00 0.00 0.00 51.96 53.57 2de6 s ALA 103 Cb -0.10 -3.53 0.50 0.00 0.00 0.00 0.00 23.12 19.99 2de6 s ALA 103 CO -0.01 -1.26 1.47 0.41 0.00 0.00 0.00 175.76 176.37 2de6 n GLY 104 N 0.68 -1.50 3.17 0.00 0.00 0.12 -4.81 105.19 102.86 2de6 n GLY 104 Ca 0.10 -0.18 -0.26 0.00 0.00 0.00 0.00 46.02 45.68 2de6 n GLY 104 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2de6 s GLU 105 N -3.14 1.58 0.66 1.61 0.41 -1.26 -5.04 118.70 113.52 2de6 s GLU 105 Ca 0.08 -0.65 -0.15 0.00 -0.41 0.00 0.00 54.97 53.84 2de6 s GLU 105 Cb 0.13 -1.48 0.00 0.00 -1.78 0.00 0.00 34.13 31.00 2de6 s GLU 105 CO 0.68 0.36 1.12 -1.59 -0.49 0.00 0.00 175.26 175.34 2de6 s LYS 106 N -0.32 2.74 0.62 1.61 -2.85 -1.26 -4.69 119.74 115.60 2de6 s LYS 106 Ca 0.04 1.43 -0.17 0.00 -1.00 0.00 0.00 55.97 56.27 2de6 s LYS 106 Cb -0.08 -1.94 -0.02 0.00 -2.06 0.00 0.00 37.83 33.73 2de6 s LYS 106 CO 0.00 -1.30 1.18 0.15 0.10 0.00 0.00 175.35 175.47 2de6 s LYS 107 N -4.07 2.84 0.00 1.78 1.02 0.21 -5.00 119.74 116.52 2de6 s LYS 107 Ca 0.68 1.69 0.00 0.00 0.02 0.00 0.00 55.97 58.36 2de6 s LYS 107 Cb -0.21 -1.93 0.00 0.00 -0.52 0.00 0.00 37.83 35.17 2de6 s LYS 107 CO 0.42 -1.28 0.00 1.28 -0.92 0.00 0.00 175.35 174.85