#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dbm s SER 2 N 0.00 7.05 0.08 1.61 0.15 -1.26 -4.94 113.70 116.39 2dbm s SER 2 Ca 0.00 1.37 -0.16 0.00 0.70 0.00 0.00 55.95 57.86 2dbm s SER 2 Cb 0.00 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.73 2dbm s SER 2 CO 0.00 -0.72 1.02 -1.20 1.20 0.00 0.00 173.24 173.54 2dbm n SER 3 N 6.45 -0.55 0.00 5.45 7.64 -1.26 -4.81 113.62 126.54 2dbm n SER 3 Ca 0.12 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.15 2dbm n SER 3 Cb 0.46 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 2dbm n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dbm n GLY 4 N -1.13 4.90 3.15 0.23 0.00 -1.26 -5.16 105.19 105.92 2dbm n GLY 4 Ca 0.01 -0.84 -0.29 0.00 0.00 0.00 0.00 46.02 44.91 2dbm n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dbm s SER 5 N 1.31 2.51 0.50 1.61 0.01 -1.26 -5.13 113.70 113.25 2dbm s SER 5 Ca 0.00 -0.43 -0.18 0.00 1.31 0.00 0.00 55.95 56.65 2dbm s SER 5 Cb 0.00 -1.00 -0.08 0.00 0.21 0.00 0.00 66.02 65.15 2dbm s SER 5 CO 0.00 0.13 0.99 -0.44 0.41 0.00 0.00 173.24 174.33 2dbm s SER 6 N 0.30 6.56 0.00 2.44 0.01 -1.26 -5.07 113.70 116.69 2dbm s SER 6 Ca -0.13 1.66 0.00 0.00 1.31 0.00 0.00 55.95 58.79 2dbm s SER 6 Cb -0.15 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.55 2dbm s SER 6 CO 0.05 -0.63 0.00 0.61 0.41 0.00 0.00 173.24 173.68 2dbm n GLY 7 N -1.18 -2.01 3.69 3.44 0.00 -1.26 -4.92 105.19 102.94 2dbm n GLY 7 Ca 0.07 -1.35 -0.42 0.00 0.00 0.00 0.00 46.02 44.32 2dbm n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dbm s PRO 8 N 0.00 4.28 0.22 1.61 0.04 -1.26 -4.99 135.00 134.90 2dbm s PRO 8 Ca 0.00 2.02 -0.01 0.00 0.04 0.00 0.00 61.00 63.06 2dbm s PRO 8 Cb 0.00 -3.52 -0.04 0.00 0.04 0.00 0.00 34.50 30.99 2dbm s PRO 8 CO 0.00 -0.56 0.18 0.00 0.04 0.00 0.00 177.00 176.65 2dbm s ARG 11 N -4.04 1.33 0.43 0.00 3.52 -0.56 -0.14 118.95 119.50 2dbm s ARG 11 Ca 0.24 -1.31 -0.13 0.00 -0.13 0.00 0.00 55.73 54.40 2dbm s ARG 11 Cb 0.06 -1.75 -0.07 0.00 -1.56 0.00 0.00 34.95 31.62 2dbm s ARG 11 CO 0.03 0.41 0.83 0.00 -0.81 0.00 0.00 175.30 175.76 2dbm s ALA 12 N -1.12 3.26 -0.03 6.12 0.00 -0.71 0.92 121.76 130.20 2dbm s ALA 12 Ca 0.12 -0.07 -0.00 0.00 0.00 0.00 0.00 51.96 52.01 2dbm s ALA 12 Cb -0.10 -2.83 -0.02 0.00 0.00 0.00 0.00 23.12 20.17 2dbm s ALA 12 CO 0.06 -0.05 -0.03 1.28 0.00 0.00 0.00 175.76 177.01 2dbm n LEU 13 N -1.32 2.56 0.00 0.00 4.77 -0.61 -1.64 117.00 120.76 2dbm n LEU 13 Ca 0.04 -0.01 -0.15 0.00 -0.03 0.00 0.00 56.01 55.85 2dbm n LEU 13 Cb 0.54 -0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 41.47 2dbm n LEU 13 CO 0.47 0.48 -0.10 -1.22 -1.33 0.00 0.00 177.39 175.68 2dbm n TYR 14 N -2.69 0.19 -3.68 -1.77 4.02 -1.25 -4.57 117.16 107.42 2dbm n TYR 14 Ca -0.06 -1.51 -0.37 0.00 -0.01 0.00 0.00 57.90 55.95 2dbm n TYR 14 Cb 0.56 -0.04 -0.06 0.00 -0.02 0.00 0.00 39.34 39.78 2dbm n TYR 14 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 176.86 176.01 2dbm s ASP 15 N -2.49 6.60 -0.04 7.72 -4.77 -1.26 -2.70 116.67 119.73 2dbm s ASP 15 Ca 0.10 0.72 0.06 0.00 -3.30 0.00 0.00 52.55 50.12 2dbm s ASP 15 Cb 0.00 -2.16 -0.02 0.00 -1.09 0.00 0.00 42.92 39.66 2dbm s ASP 15 CO 0.07 0.32 -0.23 0.12 0.70 0.00 0.00 175.17 176.15 2dbm s PHE 16 N -1.14 2.46 -0.60 2.11 5.36 -1.23 -5.04 117.98 119.89 2dbm s PHE 16 Ca 0.23 -0.46 -0.08 0.00 -0.96 0.00 0.00 56.93 55.66 2dbm s PHE 16 Cb -0.14 -1.57 0.16 0.00 -0.34 0.00 0.00 43.02 41.12 2dbm s PHE 16 CO 0.12 -0.04 0.47 -2.00 -1.46 0.00 0.00 175.22 172.31 2dbm s GLU 17 N -0.48 2.76 0.24 10.12 2.56 -1.26 -4.54 118.70 128.10 2dbm s GLU 17 Ca 0.06 -2.19 -0.30 0.00 0.00 0.00 0.00 54.97 52.55 2dbm s GLU 17 Cb -0.11 -3.97 -0.09 0.00 2.00 0.00 0.00 34.13 31.95 2dbm s GLU 17 CO 0.01 -1.21 1.28 -1.25 -0.56 0.00 0.00 175.26 173.52 2dbm s PRO 18 N 0.60 4.42 0.00 4.30 0.04 -1.26 -4.92 135.00 138.18 2dbm s PRO 18 Ca 0.12 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.21 2dbm s PRO 18 Cb -0.20 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.17 2dbm s PRO 18 CO -0.04 -0.17 0.00 -0.85 0.04 0.00 0.00 177.00 175.99 2dbm n GLU 19 N 2.03 1.93 -1.00 4.56 0.28 -1.26 -5.07 120.64 122.11 2dbm n GLU 19 Ca 0.04 0.00 -0.26 0.00 -0.16 0.00 0.00 57.16 56.77 2dbm n GLU 19 Cb 0.43 -0.85 0.22 0.00 1.43 0.00 0.00 31.44 32.66 2dbm n GLU 19 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2dbm n ASN 20 N -1.76 -1.76 -0.09 -1.84 4.13 -1.26 -5.02 115.26 107.67 2dbm n ASN 20 Ca 0.00 -1.13 -0.16 0.00 1.68 0.00 0.00 54.58 54.97 2dbm n ASN 20 Cb 0.35 -0.89 -0.10 0.00 -1.54 0.00 0.00 39.78 37.60 2dbm n ASN 20 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 2dbm h GLU 21 N 0.00 0.00 -2.37 3.52 4.39 -2.05 -3.38 114.58 114.69 2dbm h GLU 21 Ca -0.37 0.00 -0.63 0.00 0.34 0.00 0.00 59.36 58.70 2dbm h GLU 21 Cb 1.10 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 29.62 2dbm h GLU 21 CO 0.24 0.82 1.60 0.41 -1.16 0.00 0.00 179.01 180.93 2dbm n GLY 22 N 1.53 4.80 3.67 -3.84 0.00 -1.26 -4.93 105.19 105.16 2dbm n GLY 22 Ca -0.20 -1.95 -0.23 0.00 0.00 0.00 0.00 46.02 43.64 2dbm n GLY 22 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2dbm s GLU 23 N -1.22 2.39 -0.48 1.61 4.04 -1.26 -3.85 118.70 119.92 2dbm s GLU 23 Ca 0.57 -1.37 0.03 0.00 0.04 0.00 0.00 54.97 54.23 2dbm s GLU 23 Cb 0.26 -2.22 0.14 0.00 0.02 0.00 0.00 34.13 32.34 2dbm s GLU 23 CO -0.14 0.36 0.29 -1.17 -1.84 0.00 0.00 175.26 172.76 2dbm s LEU 24 N -3.71 3.02 0.05 1.83 2.96 -1.05 -4.68 118.68 117.10 2dbm s LEU 24 Ca 0.32 -2.90 -0.30 0.00 -0.22 0.00 0.00 54.13 51.02 2dbm s LEU 24 Cb -0.06 -1.11 -0.08 0.00 0.50 0.00 0.00 46.19 45.44 2dbm s LEU 24 CO 0.21 -0.22 1.66 -0.83 -1.32 0.00 0.00 176.35 175.85 2dbm s GLY 25 N -0.02 1.56 0.54 7.98 0.00 -1.26 -4.73 107.32 111.37 2dbm s GLY 25 Ca 0.20 1.16 0.06 0.00 0.00 0.00 0.00 44.72 46.14 2dbm s GLY 25 CO -0.05 2.93 0.41 -0.11 0.00 0.00 0.00 173.10 176.28 2dbm s PHE 26 N 2.96 1.70 -0.09 1.90 -0.12 -1.26 -5.03 117.98 118.03 2dbm s PHE 26 Ca 0.74 -0.82 -0.05 0.00 -0.05 0.00 0.00 56.93 56.76 2dbm s PHE 26 Cb -0.39 -1.93 0.04 0.00 -0.63 0.00 0.00 43.02 40.11 2dbm s PHE 26 CO 0.32 -0.46 0.22 0.15 -0.05 0.00 0.00 175.22 175.40 2dbm s LYS 27 N -4.27 0.18 -0.06 1.99 -0.14 -1.26 -3.58 119.74 112.60 2dbm s LYS 27 Ca 0.35 0.49 -0.30 0.00 -1.36 0.00 0.00 55.97 55.15 2dbm s LYS 27 Cb -0.02 -0.13 -0.15 0.00 -1.68 0.00 0.00 37.83 35.85 2dbm s LYS 27 CO 0.22 -0.16 0.84 -1.91 -0.76 0.00 0.00 175.35 173.58 2dbm n GLU 28 N 4.20 0.00 0.00 1.68 0.00 -1.10 0.11 120.64 125.53 2dbm n GLU 28 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.91 2dbm n GLU 28 Cb 0.53 -1.09 0.00 0.00 0.00 0.00 0.00 31.44 30.88 2dbm n GLU 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2dbm n GLY 29 N 1.38 2.59 3.63 8.31 0.00 -0.65 -4.92 105.19 115.53 2dbm n GLY 29 Ca 0.16 -0.61 -0.48 0.00 0.00 0.00 0.00 46.02 45.09 2dbm n GLY 29 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dbm n ASP 30 N 1.86 2.35 -4.80 1.61 9.92 0.12 -4.40 116.55 123.21 2dbm n ASP 30 Ca 0.00 1.11 -0.38 0.00 -0.53 0.00 0.00 54.79 54.99 2dbm n ASP 30 Cb 0.00 -1.33 -0.06 0.00 -0.64 0.00 0.00 41.12 39.09 2dbm n ASP 30 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2dbm s ILE 31 N 0.44 5.02 -0.10 0.53 -1.09 -1.26 -1.73 121.20 123.00 2dbm s ILE 31 Ca 0.78 0.94 0.04 0.00 -2.23 0.00 0.00 60.65 60.18 2dbm s ILE 31 Cb -0.78 -3.78 0.00 0.00 -1.58 0.00 0.00 42.46 36.32 2dbm s ILE 31 CO 0.45 0.50 -0.24 -0.63 -1.23 0.00 0.00 174.94 173.79 2dbm s ILE 32 N -0.59 2.09 0.79 2.92 1.01 0.80 -4.96 121.20 123.26 2dbm s ILE 32 Ca 0.25 -1.01 -0.11 0.00 0.00 0.00 0.00 60.65 59.79 2dbm s ILE 32 Cb -0.17 -1.80 0.06 0.00 0.01 0.00 0.00 42.46 40.57 2dbm s ILE 32 CO 0.14 0.56 1.09 -0.89 0.00 0.00 0.00 174.94 175.83 2dbm s THR 33 N 0.37 3.25 -0.05 2.92 2.01 -1.22 -0.81 115.64 122.12 2dbm s THR 33 Ca -0.18 0.41 0.05 0.00 0.31 0.00 0.00 61.69 62.28 2dbm s THR 33 Cb -0.18 -3.09 -0.01 0.00 0.01 0.00 0.00 72.50 69.23 2dbm s THR 33 CO 0.08 -0.53 -0.21 -0.76 -0.69 0.00 0.00 174.62 172.51 2dbm s LEU 34 N -5.80 1.99 0.00 4.42 1.43 -0.58 -4.02 118.68 116.12 2dbm s LEU 34 Ca 0.61 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 53.29 2dbm s LEU 34 Cb -0.15 -1.14 0.00 0.00 0.03 0.00 0.00 46.19 44.93 2dbm s LEU 34 CO 0.55 0.20 0.00 0.35 0.23 0.00 0.00 176.35 177.68 2dbm n THR 35 N 2.99 0.00 -3.86 5.49 -2.24 0.25 -4.71 114.28 112.20 2dbm n THR 35 Ca -0.17 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.52 2dbm n THR 35 Cb 0.53 -1.10 -0.01 0.00 -2.10 0.00 0.00 70.33 67.65 2dbm n THR 35 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2dbm s ASN 36 N -4.98 -0.08 -0.09 3.42 0.01 -0.89 -5.03 114.94 107.30 2dbm s ASN 36 Ca 0.00 -0.90 0.01 0.00 -0.71 0.00 0.00 52.86 51.27 2dbm s ASN 36 Cb 0.00 0.76 0.02 0.00 0.41 0.00 0.00 41.25 42.44 2dbm s ASN 36 CO 0.00 -1.46 -0.13 -1.58 -1.51 0.00 0.00 177.10 172.42 2dbm s GLN 37 N -3.26 1.89 -0.21 -0.60 0.74 -1.26 -0.16 119.66 116.81 2dbm s GLN 37 Ca 0.15 -0.45 -0.11 0.00 0.05 0.00 0.00 55.36 55.00 2dbm s GLN 37 Cb -0.05 -1.65 -0.19 0.00 1.10 0.00 0.00 33.01 32.22 2dbm s GLN 37 CO 0.10 -0.07 0.03 -0.89 -0.55 0.00 0.00 175.29 173.91 2dbm n ILE 38 N 4.20 1.59 -3.46 -2.34 -0.00 -1.25 -5.00 119.36 113.10 2dbm n ILE 38 Ca -0.19 -0.40 -0.22 0.00 -0.00 0.00 0.00 62.75 61.93 2dbm n ILE 38 Cb 0.51 -1.79 0.02 0.00 -0.00 0.00 0.00 39.64 38.38 2dbm n ILE 38 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 2dbm s ASP 39 N -6.99 4.91 0.21 4.38 2.15 -1.24 -5.02 116.67 115.07 2dbm s ASP 39 Ca -0.31 -0.99 0.25 0.00 0.43 0.00 0.00 52.55 51.93 2dbm s ASP 39 Cb 0.09 0.21 0.50 0.00 -0.30 0.00 0.00 42.92 43.42 2dbm s ASP 39 CO 0.62 -1.14 1.52 -0.33 -0.17 0.00 0.00 175.17 175.67 2dbm h GLU 40 N 0.54 0.00 0.00 4.34 5.08 -2.03 -3.31 114.58 119.20 2dbm h GLU 40 Ca -0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 2dbm h GLU 40 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2dbm h GLU 40 CO 0.50 0.00 -0.06 0.09 -1.00 0.00 0.00 179.01 178.54 2dbm n ASN 41 N -2.36 1.15 -4.19 1.42 3.02 -1.26 -5.05 115.26 107.99 2dbm n ASN 41 Ca 0.04 -1.83 -0.21 0.00 -0.03 0.00 0.00 54.58 52.55 2dbm n ASN 41 Cb 0.46 -0.09 -0.13 0.00 -0.61 0.00 0.00 39.78 39.41 2dbm n ASN 41 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 2dbm s TRP 42 N -0.83 1.40 0.50 3.10 0.52 -1.25 -2.93 118.94 119.46 2dbm s TRP 42 Ca 0.05 -0.39 0.03 0.00 0.02 0.00 0.00 56.10 55.81 2dbm s TRP 42 Cb 0.04 -0.81 0.03 0.00 -1.15 0.00 0.00 33.47 31.58 2dbm s TRP 42 CO 0.00 0.07 0.25 0.66 0.02 0.00 0.00 176.95 177.96 2dbm n TYR 43 N 1.65 -0.03 -3.54 -1.98 4.01 -0.16 -3.68 117.16 113.42 2dbm n TYR 43 Ca -0.19 -2.24 -0.17 0.00 -0.16 0.00 0.00 57.90 55.14 2dbm n TYR 43 Cb 0.54 -0.38 -0.13 0.00 -0.31 0.00 0.00 39.34 39.05 2dbm n TYR 43 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 2dbm s GLU 44 N -3.97 0.16 0.23 -0.72 2.12 0.78 -2.98 118.70 114.31 2dbm s GLU 44 Ca 0.19 0.34 -0.04 0.00 0.36 0.00 0.00 54.97 55.82 2dbm s GLU 44 Cb -0.01 -0.89 0.02 0.00 0.26 0.00 0.00 34.13 33.50 2dbm s GLU 44 CO 0.12 -0.55 0.37 0.41 -0.54 0.00 0.00 175.26 175.08 2dbm n GLY 45 N 5.32 2.11 3.63 -1.50 0.00 -1.21 -0.58 105.19 112.96 2dbm n GLY 45 Ca -0.05 -1.41 -0.34 0.00 0.00 0.00 0.00 46.02 44.22 2dbm n GLY 45 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2dbm s MET 46 N -2.36 2.79 -0.21 1.61 -1.94 -1.26 -3.12 119.30 114.81 2dbm s MET 46 Ca 0.16 -0.55 -0.05 0.00 -1.71 0.00 0.00 55.69 53.54 2dbm s MET 46 Cb -0.01 -2.65 0.10 0.00 2.01 0.00 0.00 34.83 34.28 2dbm s MET 46 CO 0.11 0.66 0.38 -1.17 -0.01 0.00 0.00 175.02 174.99 2dbm s LEU 47 N -1.06 -0.59 -1.47 -0.03 2.96 0.72 -3.41 118.68 115.80 2dbm s LEU 47 Ca 0.15 0.63 -0.08 0.00 -0.22 0.00 0.00 54.13 54.62 2dbm s LEU 47 Cb -0.11 1.17 0.02 0.00 0.50 0.00 0.00 46.19 47.77 2dbm s LEU 47 CO 0.04 -0.26 0.85 1.41 -1.32 0.00 0.00 176.35 177.07 2dbm n HIS 48 N 5.38 -2.33 -1.21 5.38 8.25 -1.26 -1.15 115.22 128.27 2dbm n HIS 48 Ca -0.06 0.74 -0.06 0.00 -0.26 0.00 0.00 57.72 58.08 2dbm n HIS 48 Cb 0.50 -4.54 -0.02 0.00 1.12 0.00 0.00 29.99 27.05 2dbm n HIS 48 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2dbm n GLY 49 N -1.70 0.80 3.22 -1.41 0.00 -1.26 -5.02 105.19 99.82 2dbm n GLY 49 Ca -0.05 -0.79 -0.30 0.00 0.00 0.00 0.00 46.02 44.89 2dbm n GLY 49 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2dbm s HIS 50 N -2.22 2.20 -0.35 1.61 3.76 -0.30 -5.11 115.29 114.89 2dbm s HIS 50 Ca 0.00 -0.66 -0.03 0.00 -0.15 0.00 0.00 55.06 54.22 2dbm s HIS 50 Cb 0.00 -1.45 0.07 0.00 1.11 0.00 0.00 32.58 32.31 2dbm s HIS 50 CO 0.00 -0.21 0.10 -1.54 -0.85 0.00 0.00 174.74 172.24 2dbm s SER 51 N -0.08 5.10 0.31 1.40 1.04 -1.26 -0.20 113.70 120.01 2dbm s SER 51 Ca -0.04 -1.54 -0.06 0.00 0.48 0.00 0.00 55.95 54.78 2dbm s SER 51 Cb -0.13 -1.78 0.00 0.00 0.10 0.00 0.00 66.02 64.21 2dbm s SER 51 CO 0.03 -0.38 0.47 -0.83 0.98 0.00 0.00 173.24 173.51 2dbm s GLY 52 N 1.50 1.15 -0.01 7.32 0.00 -1.18 -4.94 107.32 111.16 2dbm s GLY 52 Ca 0.01 -1.31 -0.03 0.00 0.00 0.00 0.00 44.72 43.39 2dbm s GLY 52 CO -0.02 -0.88 0.19 -1.36 0.00 0.00 0.00 173.10 171.04 2dbm s PHE 53 N -3.35 3.55 0.03 1.90 0.08 -1.25 -3.31 117.98 115.63 2dbm s PHE 53 Ca 0.28 0.38 -0.03 0.00 0.12 0.00 0.00 56.93 57.68 2dbm s PHE 53 Cb -0.00 -1.85 -0.02 0.00 -0.57 0.00 0.00 43.02 40.58 2dbm s PHE 53 CO 0.16 0.64 0.04 -0.59 -0.10 0.00 0.00 175.22 175.38 2dbm s PHE 54 N -1.33 0.25 0.62 0.36 -0.71 -1.16 -2.53 117.98 113.48 2dbm s PHE 54 Ca 0.27 -0.56 -0.17 0.00 -1.04 0.00 0.00 56.93 55.44 2dbm s PHE 54 Cb -0.13 -0.18 -0.02 0.00 -1.21 0.00 0.00 43.02 41.48 2dbm s PHE 54 CO 0.19 -0.31 1.12 -1.25 -1.34 0.00 0.00 175.22 173.62 2dbm s PRO 55 N -2.34 3.01 0.04 1.99 0.04 -1.26 -0.99 135.00 135.48 2dbm s PRO 55 Ca -0.07 1.46 0.22 0.00 0.04 0.00 0.00 61.00 62.65 2dbm s PRO 55 Cb -0.03 -1.97 -0.10 0.00 0.04 0.00 0.00 34.50 32.44 2dbm s PRO 55 CO -0.04 -1.10 0.87 -0.89 0.04 0.00 0.00 177.00 175.88 2dbm n ILE 56 N -2.01 0.16 1.91 0.56 -0.00 -1.15 -4.00 119.36 114.82 2dbm n ILE 56 Ca 0.11 -0.32 0.00 0.00 -0.00 0.00 0.00 62.75 62.54 2dbm n ILE 56 Cb 0.52 0.18 0.00 0.00 -0.00 0.00 0.00 39.64 40.34 2dbm n ILE 56 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 2dbm n ASN 57 N -2.07 0.00 0.00 4.38 3.02 -1.26 -3.22 115.26 116.11 2dbm n ASN 57 Ca 0.00 -1.91 0.00 0.00 -0.03 0.00 0.00 54.58 52.64 2dbm n ASN 57 Cb 0.47 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.64 2dbm n ASN 57 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2dbm n TYR 58 N -0.50 0.00 -4.53 3.10 4.01 -1.26 -5.04 117.16 112.93 2dbm n TYR 58 Ca 0.00 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.40 2dbm n TYR 58 Cb 0.00 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 38.92 2dbm n TYR 58 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 2dbm s VAL 59 N -1.77 3.85 -0.05 -0.72 -7.23 -1.20 -1.57 120.40 111.70 2dbm s VAL 59 Ca 0.00 -0.41 -0.27 0.00 -1.81 0.00 0.00 61.98 59.49 2dbm s VAL 59 Cb 0.00 -2.61 -0.03 0.00 0.56 0.00 0.00 36.38 34.30 2dbm s VAL 59 CO 0.00 0.58 0.85 -0.70 -0.31 0.00 0.00 175.10 175.52 2dbm s GLU 60 N -0.56 4.47 -0.43 4.82 2.12 0.26 -4.81 118.70 124.58 2dbm s GLU 60 Ca 0.09 1.16 -0.21 0.00 0.36 0.00 0.00 54.97 56.36 2dbm s GLU 60 Cb -0.12 -3.47 0.02 0.00 0.26 0.00 0.00 34.13 30.82 2dbm s GLU 60 CO 0.02 -0.06 0.68 0.42 -0.54 0.00 0.00 175.26 175.79 2dbm s ILE 61 N 1.14 4.79 -0.09 -3.70 -1.09 -1.26 -1.50 121.20 119.49 2dbm s ILE 61 Ca 0.44 0.30 -0.11 0.00 -2.23 0.00 0.00 60.65 59.05 2dbm s ILE 61 Cb -0.19 -4.22 -0.28 0.00 -1.58 0.00 0.00 42.46 36.19 2dbm s ILE 61 CO 0.22 -0.58 0.54 -0.07 -1.23 0.00 0.00 174.94 173.82 2dbm h LEU 62 N 9.76 0.50 -7.98 2.97 3.38 -1.95 -3.44 115.31 118.55 2dbm h LEU 62 Ca -0.25 -0.92 -0.68 0.00 0.09 0.00 0.00 57.88 56.12 2dbm h LEU 62 Cb 1.10 -0.16 -0.34 0.00 0.09 0.00 0.00 40.66 41.34 2dbm h LEU 62 CO 0.90 1.77 -0.75 -0.69 0.09 0.00 0.00 178.44 179.77 2dbm s VAL 63 N -2.55 2.64 0.24 1.22 1.01 -1.23 -5.05 120.40 116.67 2dbm s VAL 63 Ca -0.19 -1.45 -0.30 0.00 0.00 0.00 0.00 61.98 60.04 2dbm s VAL 63 Cb 0.06 -2.51 -0.10 0.00 0.00 0.00 0.00 36.38 33.83 2dbm s VAL 63 CO 0.80 -0.04 1.40 0.00 0.00 0.00 0.00 175.10 177.27 2dbm s ALA 64 N 1.20 3.60 0.79 5.51 0.00 -1.26 -4.41 121.76 127.19 2dbm s ALA 64 Ca -0.06 1.27 -0.14 0.00 0.00 0.00 0.00 51.96 53.03 2dbm s ALA 64 Cb -0.19 -3.54 0.05 0.00 0.00 0.00 0.00 23.12 19.44 2dbm s ALA 64 CO -0.03 -0.69 1.01 1.28 0.00 0.00 0.00 175.76 177.34 2dbm n LEU 65 N 2.41 3.45 0.05 0.00 4.77 -1.26 -4.87 117.00 121.55 2dbm n LEU 65 Ca 0.07 0.58 0.09 0.00 -0.03 0.00 0.00 56.01 56.72 2dbm n LEU 65 Cb 0.41 -1.43 0.38 0.00 -2.33 0.00 0.00 43.42 40.45 2dbm n LEU 65 CO 0.60 -2.08 0.78 -0.81 -1.33 0.00 0.00 177.39 174.54 2dbm n PRO 66 N -2.57 0.08 -0.28 3.23 -0.04 -1.26 -3.19 135.00 130.97 2dbm n PRO 66 Ca 0.12 0.33 0.17 0.00 -0.04 0.00 0.00 63.50 64.08 2dbm n PRO 66 Cb 0.50 -1.66 0.44 0.00 -0.04 0.00 0.00 33.50 32.75 2dbm n PRO 66 CO 0.00 0.00 0.00 1.12 -0.04 0.00 0.00 175.50 176.58 2dbm h HIS 67 N 0.00 0.72 -3.18 0.54 2.07 -2.02 -3.40 115.15 109.87 2dbm h HIS 67 Ca 0.00 0.02 -0.58 0.00 -2.85 0.00 0.00 60.37 56.96 2dbm h HIS 67 Cb 0.29 -0.22 -0.04 0.00 2.57 0.00 0.00 27.41 30.02 2dbm h HIS 67 CO 0.00 0.19 -0.27 -1.54 -3.07 0.00 0.00 177.93 173.24 2dbm s SER 68 N -5.59 6.55 0.00 3.10 1.04 -1.19 -5.02 113.70 112.59 2dbm s SER 68 Ca -0.09 0.69 0.00 0.00 0.48 0.00 0.00 55.95 57.03 2dbm s SER 68 Cb 0.23 -2.13 0.00 0.00 0.10 0.00 0.00 66.02 64.22 2dbm s SER 68 CO 0.79 0.07 0.00 0.61 0.98 0.00 0.00 173.24 175.69 2dbm n GLY 69 N 0.30 0.56 3.56 7.32 0.00 -1.26 -5.00 105.19 110.67 2dbm n GLY 69 Ca -0.04 0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 2dbm n GLY 69 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dbm s PRO 70 N 0.46 2.57 -0.07 1.61 0.04 -1.26 -4.80 135.00 133.56 2dbm s PRO 70 Ca 0.00 -0.09 -0.25 0.00 0.04 0.00 0.00 61.00 60.70 2dbm s PRO 70 Cb 0.00 -4.91 -0.25 0.00 0.04 0.00 0.00 34.50 29.38 2dbm s PRO 70 CO 0.00 -3.23 0.97 1.03 0.04 0.00 0.00 177.00 175.81 2dbm h SER 71 N 12.10 0.21 -1.13 6.66 0.87 -2.03 -3.45 113.55 126.77 2dbm h SER 71 Ca 0.02 -0.83 -0.84 0.00 -1.23 0.00 0.00 61.79 58.91 2dbm h SER 71 Cb 1.04 -0.06 0.01 0.00 -0.44 0.00 0.00 62.40 62.95 2dbm h SER 71 CO 1.21 1.01 0.72 -0.24 -0.53 0.00 0.00 176.83 179.00 2dbm n SER 72 N -4.49 1.45 -0.45 6.23 2.88 -1.26 -5.30 113.62 112.67 2dbm n SER 72 Ca -0.10 1.16 0.14 0.00 -1.33 0.00 0.00 58.87 58.74 2dbm n SER 72 Cb 0.53 -0.95 0.55 0.00 -0.75 0.00 0.00 64.21 63.59 2dbm n SER 72 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42