#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 3.49 0.83 1.61 0.01 -1.26 -5.15 113.70 113.22 2dbm s SER 2 Ca 0.00 -1.20 -0.10 0.00 1.31 0.00 0.00 55.95 55.96 2dbm s SER 2 Cb 0.00 -0.30 0.13 0.00 0.21 0.00 0.00 66.02 66.06 2dbm s SER 2 CO 0.00 -0.24 1.16 -0.55 0.41 0.00 0.00 173.24 174.02 2dbm s SER 3 N -3.57 4.00 0.00 2.44 0.15 -1.26 -4.93 113.70 110.53 2dbm s SER 3 Ca 0.32 0.30 0.00 0.00 0.70 0.00 0.00 55.95 57.27 2dbm s SER 3 Cb 0.03 -0.63 0.00 0.00 -1.71 0.00 0.00 66.02 63.71 2dbm s SER 3 CO 0.15 -2.15 0.00 0.61 1.20 0.00 0.00 173.24 173.05 2dbm n GLY 4 N -3.31 -0.00 1.64 9.45 0.00 -1.26 -5.09 105.19 106.61 2dbm n GLY 4 Ca 0.12 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.47 2dbm n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dbm n SER 5 N -0.01 0.00 -4.52 1.61 3.41 -1.26 -5.10 113.62 107.75 2dbm n SER 5 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.31 2dbm n SER 5 Cb 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 2dbm n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dbm s SER 6 N -5.00 4.07 0.15 4.04 0.01 -1.26 -5.04 113.70 110.67 2dbm s SER 6 Ca 0.00 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 56.78 2dbm s SER 6 Cb 0.00 -0.66 0.00 0.00 0.21 0.00 0.00 66.02 65.57 2dbm s SER 6 CO 0.00 0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.45 2dbm n GLY 7 N 0.85 -3.04 3.67 3.44 0.00 -1.26 -4.84 105.19 104.00 2dbm n GLY 7 Ca -0.15 -1.23 -0.42 0.00 0.00 0.00 0.00 46.02 44.22 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 -4.07 4.21 0.25 1.61 0.04 -1.26 -4.95 135.00 130.83 2dbm s PRO 8 Ca 0.00 2.01 0.01 0.00 0.04 0.00 0.00 61.00 63.07 2dbm s PRO 8 Cb 0.00 -3.83 -0.04 0.00 0.04 0.00 0.00 34.50 30.67 2dbm s PRO 8 CO 0.00 -0.75 0.15 0.00 0.04 0.00 0.00 177.00 176.44 2dbm s ARG 11 N -4.05 1.92 0.03 0.00 3.52 -0.16 -2.26 118.95 117.95 2dbm s ARG 11 Ca 0.29 -0.60 -0.24 0.00 -0.13 0.00 0.00 55.73 55.06 2dbm s ARG 11 Cb 0.07 -1.61 -0.05 0.00 -1.56 0.00 0.00 34.95 31.80 2dbm s ARG 11 CO 0.06 0.19 0.73 0.00 -0.81 0.00 0.00 175.30 175.47 2dbm s ALA 12 N 0.22 3.39 -0.18 6.12 0.00 -0.92 0.04 121.76 130.44 2dbm s ALA 12 Ca -0.08 0.23 0.18 0.00 0.00 0.00 0.00 51.96 52.29 2dbm s ALA 12 Cb -0.13 -2.95 -0.26 0.00 0.00 0.00 0.00 23.12 19.78 2dbm s ALA 12 CO 0.03 0.07 0.11 1.28 0.00 0.00 0.00 175.76 177.26 2dbm n LEU 13 N 2.86 0.00 -4.48 0.00 4.77 -0.71 -1.83 117.00 117.60 2dbm n LEU 13 Ca -0.03 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.70 2dbm n LEU 13 Cb 0.50 0.44 -0.08 0.00 -2.33 0.00 0.00 43.42 41.96 2dbm n LEU 13 CO 0.46 0.44 -0.17 -0.31 -1.33 0.00 0.00 177.39 176.48 2dbm s TYR 14 N -2.59 1.78 -0.01 -1.77 1.51 -1.23 -4.68 117.35 110.35 2dbm s TYR 14 Ca -0.10 -1.38 -0.00 0.00 -1.01 0.00 0.00 57.07 54.58 2dbm s TYR 14 Cb 0.07 -1.07 -0.04 0.00 -0.11 0.00 0.00 41.96 40.81 2dbm s TYR 14 CO 0.83 -0.43 0.07 -0.51 -1.11 0.00 0.00 175.55 174.40 2dbm s ASP 15 N -3.58 5.59 0.05 2.29 1.11 -1.26 -2.81 116.67 118.06 2dbm s ASP 15 Ca 0.26 0.13 -0.04 0.00 0.18 0.00 0.00 52.55 53.07 2dbm s ASP 15 Cb 0.02 -1.59 -0.02 0.00 1.07 0.00 0.00 42.92 42.40 2dbm s ASP 15 CO 0.17 0.28 0.06 0.12 1.18 0.00 0.00 175.17 176.99 2dbm s PHE 16 N -1.16 0.29 0.03 4.23 5.36 -0.74 -4.97 117.98 121.03 2dbm s PHE 16 Ca 0.22 -0.69 0.07 0.00 -0.96 0.00 0.00 56.93 55.57 2dbm s PHE 16 Cb -0.12 -0.21 -0.02 0.00 -0.34 0.00 0.00 43.02 42.33 2dbm s PHE 16 CO 0.13 -0.39 -0.19 -1.83 -1.46 0.00 0.00 175.22 171.48 2dbm s GLU 17 N -3.12 1.32 0.37 10.12 -1.05 -1.26 -2.31 118.70 122.76 2dbm s GLU 17 Ca -0.01 -0.86 -0.27 0.00 -0.15 0.00 0.00 54.97 53.68 2dbm s GLU 17 Cb 0.02 -1.39 -0.09 0.00 -0.44 0.00 0.00 34.13 32.23 2dbm s GLU 17 CO -0.07 0.36 1.20 -1.25 0.95 0.00 0.00 175.26 176.45 2dbm s PRO 18 N -1.06 4.20 -0.16 -4.83 0.04 -1.26 -4.85 135.00 127.09 2dbm s PRO 18 Ca 0.06 1.95 0.02 0.00 0.04 0.00 0.00 61.00 63.08 2dbm s PRO 18 Cb -0.08 -2.85 -0.11 0.00 0.04 0.00 0.00 34.50 31.49 2dbm s PRO 18 CO 0.01 -0.22 -0.13 0.39 0.04 0.00 0.00 177.00 177.09 2dbm n GLU 19 N 0.42 0.56 -4.20 4.56 -0.58 -1.26 -5.03 120.64 115.10 2dbm n GLU 19 Ca 0.02 0.08 -0.27 0.00 -0.42 0.00 0.00 57.16 56.58 2dbm n GLU 19 Cb 0.45 -1.32 -0.05 0.00 -0.57 0.00 0.00 31.44 29.94 2dbm n GLU 19 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 2dbm n ASN 20 N -2.92 3.15 0.04 1.62 6.94 -1.26 -5.04 115.26 117.78 2dbm n ASN 20 Ca -0.28 -2.85 -0.02 0.00 -0.02 0.00 0.00 54.58 51.42 2dbm n ASN 20 Cb 0.82 0.28 0.25 0.00 -2.36 0.00 0.00 39.78 38.77 2dbm n ASN 20 CO 0.00 0.00 0.00 1.05 -1.03 0.00 0.00 177.26 177.28 2dbm h GLU 21 N 0.00 0.42 -2.32 -3.83 4.11 -2.05 -3.19 114.58 107.72 2dbm h GLU 21 Ca -0.35 -0.14 -0.68 0.00 0.07 0.00 0.00 59.36 58.26 2dbm h GLU 21 Cb 1.07 -0.04 -0.18 0.00 0.50 0.00 0.00 28.75 30.10 2dbm h GLU 21 CO 0.58 0.61 1.47 0.41 0.07 0.00 0.00 179.01 182.15 2dbm n GLY 22 N -0.52 5.14 3.06 1.06 0.00 -1.26 -4.91 105.19 107.76 2dbm n GLY 22 Ca -0.00 -2.13 -0.08 0.00 0.00 0.00 0.00 46.02 43.81 2dbm n GLY 22 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dbm s GLU 23 N -2.12 0.52 -0.24 1.61 0.41 -1.21 -4.35 118.70 113.33 2dbm s GLU 23 Ca 0.53 -1.00 -0.02 0.00 -0.41 0.00 0.00 54.97 54.06 2dbm s GLU 23 Cb 0.27 0.12 0.08 0.00 -1.78 0.00 0.00 34.13 32.82 2dbm s GLU 23 CO -0.17 -0.08 0.07 -1.17 -0.49 0.00 0.00 175.26 173.42 2dbm s LEU 24 N -2.38 1.36 0.58 1.80 2.96 -1.22 -4.73 118.68 117.06 2dbm s LEU 24 Ca -0.01 -1.11 -0.17 0.00 -0.22 0.00 0.00 54.13 52.62 2dbm s LEU 24 Cb 0.01 -0.63 -0.04 0.00 0.50 0.00 0.00 46.19 46.03 2dbm s LEU 24 CO -0.06 -0.36 1.07 -0.83 -1.32 0.00 0.00 176.35 174.85 2dbm s GLY 25 N 1.83 2.24 0.35 7.98 0.00 -1.26 -4.66 107.32 113.81 2dbm s GLY 25 Ca 0.03 0.50 0.06 0.00 0.00 0.00 0.00 44.72 45.32 2dbm s GLY 25 CO -0.17 0.82 0.24 -0.11 0.00 0.00 0.00 173.10 173.89 2dbm s PHE 26 N -2.29 1.76 -0.06 1.90 -0.12 -0.98 -4.98 117.98 113.22 2dbm s PHE 26 Ca 0.66 -1.58 -0.09 0.00 -0.05 0.00 0.00 56.93 55.87 2dbm s PHE 26 Cb -0.18 -0.82 0.02 0.00 -0.63 0.00 0.00 43.02 41.41 2dbm s PHE 26 CO 0.34 -0.74 0.23 0.15 -0.05 0.00 0.00 175.22 175.15 2dbm s LYS 27 N -3.51 0.38 0.13 1.99 3.01 -1.26 -1.79 119.74 118.69 2dbm s LYS 27 Ca 0.36 0.09 -0.34 0.00 -1.01 0.00 0.00 55.97 55.08 2dbm s LYS 27 Cb 0.02 0.17 -0.17 0.00 -1.01 0.00 0.00 37.83 36.84 2dbm s LYS 27 CO 0.24 -0.07 0.93 -1.91 0.51 0.00 0.00 175.35 175.05 2dbm n GLU 28 N 2.38 0.43 0.00 1.68 2.13 -1.12 0.02 120.64 126.15 2dbm n GLU 28 Ca -0.16 0.15 0.00 0.00 0.66 0.00 0.00 57.16 57.81 2dbm n GLU 28 Cb 0.57 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.79 2dbm n GLU 28 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2dbm n GLY 29 N 1.82 2.32 3.69 8.31 0.00 -0.76 -4.99 105.19 115.59 2dbm n GLY 29 Ca 0.17 -0.10 -0.44 0.00 0.00 0.00 0.00 46.02 45.65 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 1.02 3.62 -4.67 1.61 9.92 0.10 -4.67 116.55 123.49 2dbm n ASP 30 Ca 0.00 1.05 -0.37 0.00 -0.53 0.00 0.00 54.79 54.94 2dbm n ASP 30 Cb 0.00 -1.50 -0.08 0.00 -0.64 0.00 0.00 41.12 38.90 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 1.54 5.28 -0.09 0.53 -1.09 -1.26 -2.16 121.20 123.95 2dbm s ILE 31 Ca 0.79 0.45 0.01 0.00 -2.23 0.00 0.00 60.65 59.66 2dbm s ILE 31 Cb -0.58 -3.61 -0.03 0.00 -1.58 0.00 0.00 42.46 36.66 2dbm s ILE 31 CO 0.37 0.31 -0.09 -0.63 -1.23 0.00 0.00 174.94 173.66 2dbm s ILE 32 N 1.11 3.47 0.81 2.92 1.01 -0.96 -4.98 121.20 124.59 2dbm s ILE 32 Ca 0.13 -0.55 -0.12 0.00 0.00 0.00 0.00 60.65 60.12 2dbm s ILE 32 Cb -0.14 -2.43 0.08 0.00 0.01 0.00 0.00 42.46 39.98 2dbm s ILE 32 CO 0.06 0.57 1.14 -0.89 0.00 0.00 0.00 174.94 175.81 2dbm s THR 33 N -0.40 2.48 0.02 2.92 2.01 -1.23 -0.55 115.64 120.89 2dbm s THR 33 Ca 0.05 0.16 0.06 0.00 0.31 0.00 0.00 61.69 62.27 2dbm s THR 33 Cb -0.12 -3.06 -0.02 0.00 0.01 0.00 0.00 72.50 69.31 2dbm s THR 33 CO 0.02 -0.21 -0.17 -0.76 -0.69 0.00 0.00 174.62 172.82 2dbm s LEU 34 N -5.67 2.12 0.00 4.42 1.43 -0.83 -4.00 118.68 116.15 2dbm s LEU 34 Ca 0.61 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 53.30 2dbm s LEU 34 Cb -0.12 -0.82 0.00 0.00 0.03 0.00 0.00 46.19 45.28 2dbm s LEU 34 CO 0.51 0.14 0.00 0.35 0.23 0.00 0.00 176.35 177.58 2dbm n THR 35 N 2.18 0.00 -3.48 5.49 -2.24 0.25 -4.74 114.28 111.74 2dbm n THR 35 Ca -0.16 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.50 2dbm n THR 35 Cb 0.54 -0.83 -0.03 0.00 -2.10 0.00 0.00 70.33 67.92 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 -4.97 -0.48 -0.11 3.42 0.01 -0.97 -5.02 114.94 106.82 2dbm s ASN 36 Ca 0.00 -0.07 0.00 0.00 -0.71 0.00 0.00 52.86 52.08 2dbm s ASN 36 Cb 0.00 0.57 -0.02 0.00 0.41 0.00 0.00 41.25 42.20 2dbm s ASN 36 CO 0.00 -0.93 -0.11 -1.58 -1.51 0.00 0.00 177.10 172.96 2dbm s GLN 37 N -3.72 3.13 -0.19 -0.60 -0.44 -1.26 0.19 119.66 116.77 2dbm s GLN 37 Ca 0.01 -0.64 -0.04 0.00 -2.50 0.00 0.00 55.36 52.19 2dbm s GLN 37 Cb -0.00 -2.61 -0.10 0.00 -1.64 0.00 0.00 33.01 28.66 2dbm s GLN 37 CO -0.12 0.38 -0.21 -0.89 0.50 0.00 0.00 175.29 174.95 2dbm n ILE 38 N 3.05 1.05 -3.45 -2.34 -0.00 -1.26 -4.79 119.36 111.62 2dbm n ILE 38 Ca -0.18 -0.33 -0.22 0.00 -0.00 0.00 0.00 62.75 62.02 2dbm n ILE 38 Cb 0.53 -1.46 0.01 0.00 -0.00 0.00 0.00 39.64 38.72 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 -6.26 4.97 0.24 4.38 2.15 -1.26 -5.02 116.67 115.88 2dbm s ASP 39 Ca -0.26 -0.93 0.25 0.00 0.43 0.00 0.00 52.55 52.04 2dbm s ASP 39 Cb 0.08 0.06 0.53 0.00 -0.30 0.00 0.00 42.92 43.29 2dbm s ASP 39 CO 0.38 -1.05 1.58 -0.08 -0.17 0.00 0.00 175.17 175.82 2dbm h GLU 40 N 0.61 0.00 0.00 4.34 4.57 -2.02 -3.30 114.58 118.78 2dbm h GLU 40 Ca -0.36 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.82 2dbm h GLU 40 Cb 1.29 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.88 2dbm h GLU 40 CO 0.51 0.00 -0.12 0.09 -1.18 0.00 0.00 179.01 178.31 2dbm n ASN 41 N -2.47 1.21 -4.31 1.04 3.02 -1.26 -5.03 115.26 107.46 2dbm n ASN 41 Ca 0.04 -2.09 -0.17 0.00 -0.03 0.00 0.00 54.58 52.33 2dbm n ASN 41 Cb 0.47 -0.17 -0.10 0.00 -0.61 0.00 0.00 39.78 39.37 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 -1.09 1.52 0.35 3.10 0.52 -1.24 -0.14 118.94 121.95 2dbm s TRP 42 Ca 0.09 -0.78 0.06 0.00 0.02 0.00 0.00 56.10 55.48 2dbm s TRP 42 Cb 0.08 -0.81 -0.03 0.00 -1.15 0.00 0.00 33.47 31.56 2dbm s TRP 42 CO 0.01 0.10 0.22 0.71 0.02 0.00 0.00 176.95 178.01 2dbm s TYR 43 N -3.27 1.73 -0.04 -1.98 2.02 -0.38 -4.04 117.35 111.39 2dbm s TYR 43 Ca 0.23 -1.51 -0.01 0.00 -0.37 0.00 0.00 57.07 55.41 2dbm s TYR 43 Cb 0.03 -0.87 0.03 0.00 -0.40 0.00 0.00 41.96 40.75 2dbm s TYR 43 CO 0.06 -0.65 0.03 -2.00 -1.57 0.00 0.00 175.55 171.41 2dbm s GLU 44 N -3.58 0.20 0.20 -0.62 2.12 0.13 -2.79 118.70 114.36 2dbm s GLU 44 Ca 0.34 0.21 -0.07 0.00 0.36 0.00 0.00 54.97 55.81 2dbm s GLU 44 Cb 0.03 -0.59 0.03 0.00 0.26 0.00 0.00 34.13 33.85 2dbm s GLU 44 CO 0.22 -0.25 0.39 0.41 -0.54 0.00 0.00 175.26 175.49 2dbm n GLY 45 N 4.83 1.56 3.45 -1.50 0.00 -1.24 0.84 105.19 113.14 2dbm n GLY 45 Ca -0.13 -1.17 -0.34 0.00 0.00 0.00 0.00 46.02 44.39 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 -2.07 3.59 -0.27 1.61 -1.94 -1.26 -3.75 119.30 115.21 2dbm s MET 46 Ca 0.09 -0.56 -0.02 0.00 -1.71 0.00 0.00 55.69 53.49 2dbm s MET 46 Cb -0.02 -2.87 0.09 0.00 2.01 0.00 0.00 34.83 34.03 2dbm s MET 46 CO 0.06 0.19 0.08 -1.17 -0.01 0.00 0.00 175.02 174.17 2dbm s LEU 47 N 0.48 1.62 -1.49 -0.03 2.96 -0.53 -3.55 118.68 118.14 2dbm s LEU 47 Ca -0.05 -1.30 -0.06 0.00 -0.22 0.00 0.00 54.13 52.50 2dbm s LEU 47 Cb -0.15 -0.70 0.01 0.00 0.50 0.00 0.00 46.19 45.85 2dbm s LEU 47 CO 0.03 -0.38 0.78 1.41 -1.32 0.00 0.00 176.35 176.87 2dbm n HIS 48 N 4.98 -2.23 -1.22 5.38 8.25 -1.26 -1.62 115.22 127.50 2dbm n HIS 48 Ca -0.05 0.67 -0.01 0.00 -0.26 0.00 0.00 57.72 58.06 2dbm n HIS 48 Cb 0.44 -4.65 -0.00 0.00 1.12 0.00 0.00 29.99 26.89 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 -1.67 0.45 3.24 -1.41 0.00 -1.26 -5.04 105.19 99.50 2dbm n GLY 49 Ca -0.08 -1.00 -0.33 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.05 2.78 -0.45 1.61 3.76 -0.64 -5.09 115.29 115.21 2dbm s HIS 50 Ca 0.00 -1.15 -0.10 0.00 -0.15 0.00 0.00 55.06 53.66 2dbm s HIS 50 Cb 0.00 -1.90 0.10 0.00 1.11 0.00 0.00 32.58 31.89 2dbm s HIS 50 CO 0.00 -0.54 0.32 -1.54 -0.85 0.00 0.00 174.74 172.13 2dbm s SER 51 N 0.92 5.73 0.30 1.40 1.04 -1.26 -1.45 113.70 120.38 2dbm s SER 51 Ca -0.03 -1.68 -0.09 0.00 0.48 0.00 0.00 55.95 54.63 2dbm s SER 51 Cb -0.15 -2.02 0.01 0.00 0.10 0.00 0.00 66.02 63.95 2dbm s SER 51 CO -0.02 -0.63 0.51 -0.83 0.98 0.00 0.00 173.24 173.24 2dbm s GLY 52 N 2.47 0.94 -0.18 7.32 0.00 -1.25 -4.93 107.32 111.69 2dbm s GLY 52 Ca 0.04 -1.15 -0.07 0.00 0.00 0.00 0.00 44.72 43.54 2dbm s GLY 52 CO 0.01 -0.76 0.06 -1.36 0.00 0.00 0.00 173.10 171.05 2dbm s PHE 53 N -3.41 3.26 0.19 1.90 0.08 -1.26 -3.71 117.98 115.03 2dbm s PHE 53 Ca 0.25 0.08 0.10 0.00 0.12 0.00 0.00 56.93 57.49 2dbm s PHE 53 Cb -0.01 -2.08 -0.04 0.00 -0.57 0.00 0.00 43.02 40.32 2dbm s PHE 53 CO 0.14 0.17 -0.20 -0.59 -0.10 0.00 0.00 175.22 174.63 2dbm s PHE 54 N 0.34 2.05 0.58 0.36 -0.71 -1.12 -3.45 117.98 116.03 2dbm s PHE 54 Ca 0.03 -0.42 -0.18 0.00 -1.04 0.00 0.00 56.93 55.33 2dbm s PHE 54 Cb -0.12 -1.00 -0.04 0.00 -1.21 0.00 0.00 43.02 40.65 2dbm s PHE 54 CO 0.00 0.44 1.12 -1.25 -1.34 0.00 0.00 175.22 174.19 2dbm s PRO 55 N -2.85 3.17 0.06 1.99 0.04 -1.26 -1.25 135.00 134.90 2dbm s PRO 55 Ca 0.19 1.54 0.22 0.00 0.04 0.00 0.00 61.00 63.00 2dbm s PRO 55 Cb -0.06 -1.99 -0.14 0.00 0.04 0.00 0.00 34.50 32.35 2dbm s PRO 55 CO 0.09 -0.98 0.80 -0.89 0.04 0.00 0.00 177.00 176.05 2dbm n ILE 56 N -1.67 0.21 1.26 0.56 5.41 0.80 -4.01 119.36 121.92 2dbm n ILE 56 Ca 0.11 -0.42 0.08 0.00 1.00 0.00 0.00 62.75 63.53 2dbm n ILE 56 Cb 0.51 0.02 0.49 0.00 -0.71 0.00 0.00 39.64 39.95 2dbm n ILE 56 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 2dbm n ASN 57 N -2.25 0.00 -0.01 4.38 5.15 -1.26 -2.63 115.26 118.64 2dbm n ASN 57 Ca -0.01 -0.75 -0.00 0.00 -0.60 0.00 0.00 54.58 53.22 2dbm n ASN 57 Cb 0.52 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.75 2dbm n ASN 57 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 2dbm n TYR 58 N -0.91 0.00 -4.20 1.20 4.01 -1.26 -5.05 117.16 110.95 2dbm n TYR 58 Ca 0.12 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.61 2dbm n TYR 58 Cb 0.06 -0.09 -0.08 0.00 -0.31 0.00 0.00 39.34 38.91 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 -2.09 2.31 -0.02 -0.72 -7.23 -1.08 -1.75 120.40 109.83 2dbm s VAL 59 Ca -0.01 -1.75 0.07 0.00 -1.81 0.00 0.00 61.98 58.48 2dbm s VAL 59 Cb 0.01 -2.99 -0.02 0.00 0.56 0.00 0.00 36.38 33.95 2dbm s VAL 59 CO 0.09 -0.02 -0.22 -0.70 -0.31 0.00 0.00 175.10 173.94 2dbm s GLU 60 N -3.87 1.90 -0.59 4.82 2.12 0.11 -4.81 118.70 118.38 2dbm s GLU 60 Ca 0.40 -0.79 -0.19 0.00 0.36 0.00 0.00 54.97 54.74 2dbm s GLU 60 Cb 0.04 -1.78 0.10 0.00 0.26 0.00 0.00 34.13 32.74 2dbm s GLU 60 CO 0.22 0.45 0.71 0.42 -0.54 0.00 0.00 175.26 176.52 2dbm s ILE 61 N -0.43 4.79 0.12 -3.70 -1.09 -1.26 -0.99 121.20 118.64 2dbm s ILE 61 Ca 0.06 -0.90 -0.11 0.00 -2.23 0.00 0.00 60.65 57.47 2dbm s ILE 61 Cb -0.10 -4.48 -0.14 0.00 -1.58 0.00 0.00 42.46 36.16 2dbm s ILE 61 CO -0.00 -1.12 1.33 -0.07 -1.23 0.00 0.00 174.94 173.86 2dbm h LEU 62 N 10.04 0.89 -7.95 2.97 3.38 -1.93 -3.41 115.31 119.29 2dbm h LEU 62 Ca -0.29 -0.57 -0.68 0.00 0.09 0.00 0.00 57.88 56.43 2dbm h LEU 62 Cb 1.09 -0.26 -0.35 0.00 0.09 0.00 0.00 40.66 41.23 2dbm h LEU 62 CO 1.09 1.36 -0.74 -0.69 0.09 0.00 0.00 178.44 179.56 2dbm s VAL 63 N -3.77 2.65 0.08 1.22 1.01 -1.23 -5.04 120.40 115.32 2dbm s VAL 63 Ca -0.10 -1.53 -0.31 0.00 0.00 0.00 0.00 61.98 60.04 2dbm s VAL 63 Cb 0.09 -2.56 -0.09 0.00 0.00 0.00 0.00 36.38 33.82 2dbm s VAL 63 CO 0.90 -0.11 1.82 0.00 0.00 0.00 0.00 175.10 177.71 2dbm s ALA 64 N 1.18 3.69 0.57 5.51 0.00 -1.26 -4.37 121.76 127.08 2dbm s ALA 64 Ca -0.06 1.34 -0.18 0.00 0.00 0.00 0.00 51.96 53.06 2dbm s ALA 64 Cb -0.20 -3.77 -0.09 0.00 0.00 0.00 0.00 23.12 19.06 2dbm s ALA 64 CO -0.03 -1.30 0.42 1.28 0.00 0.00 0.00 175.76 176.12 2dbm n LEU 65 N 6.24 0.06 0.00 0.00 4.77 -1.26 -4.80 117.00 122.01 2dbm n LEU 65 Ca 0.18 0.71 0.08 0.00 -0.03 0.00 0.00 56.01 56.95 2dbm n LEU 65 Cb 0.40 -1.12 0.46 0.00 -2.33 0.00 0.00 43.42 40.82 2dbm n LEU 65 CO 0.65 -3.34 0.67 -0.81 -1.33 0.00 0.00 177.39 173.24 2dbm n PRO 66 N 0.17 0.47 -3.70 3.23 -0.04 -1.26 -4.79 135.00 129.08 2dbm n PRO 66 Ca 0.11 0.01 -0.04 0.00 -0.04 0.00 0.00 63.50 63.54 2dbm n PRO 66 Cb 0.48 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.42 2dbm n PRO 66 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 2dbm s HIS 67 N -2.04 -0.17 -0.49 0.54 -3.43 -1.26 -5.05 115.29 103.39 2dbm s HIS 67 Ca 0.23 -0.09 0.03 0.00 -0.80 0.00 0.00 55.06 54.43 2dbm s HIS 67 Cb 0.11 0.61 0.44 0.00 -1.43 0.00 0.00 32.58 32.31 2dbm s HIS 67 CO 0.18 -0.73 1.52 0.45 -2.00 0.00 0.00 174.74 174.16 2dbm n SER 68 N -0.43 6.00 0.00 7.38 2.88 -1.26 -4.97 113.62 123.22 2dbm n SER 68 Ca -0.07 -3.77 0.00 0.00 -1.33 0.00 0.00 58.87 53.71 2dbm n SER 68 Cb 0.61 -0.63 0.00 0.00 -0.75 0.00 0.00 64.21 63.44 2dbm n SER 68 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dbm n GLY 69 N -0.72 0.68 3.56 0.46 0.00 -1.26 -4.84 105.19 103.07 2dbm n GLY 69 Ca 0.50 -2.08 -0.29 0.00 0.00 0.00 0.00 46.02 44.15 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 -1.29 2.56 0.67 1.61 0.04 -1.26 -4.96 135.00 132.38 2dbm s PRO 70 Ca 0.00 -0.11 0.02 0.00 0.04 0.00 0.00 61.00 60.95 2dbm s PRO 70 Cb 0.00 -4.93 0.11 0.00 0.04 0.00 0.00 34.50 29.72 2dbm s PRO 70 CO 0.00 -3.26 0.93 -1.12 0.04 0.00 0.00 177.00 173.59 2dbm s SER 71 N 8.07 4.58 -0.74 6.66 0.01 -1.26 -4.95 113.70 126.07 2dbm s SER 71 Ca 0.70 -0.46 -0.26 0.00 1.31 0.00 0.00 55.95 57.24 2dbm s SER 71 Cb -0.08 0.00 -0.13 0.00 0.21 0.00 0.00 66.02 66.03 2dbm s SER 71 CO 0.03 -1.69 2.42 -0.55 0.41 0.00 0.00 173.24 173.86 2dbm s SER 72 N -4.70 3.94 0.00 2.44 0.15 -1.26 -5.21 113.70 109.06 2dbm s SER 72 Ca 0.65 0.21 0.17 0.00 0.70 0.00 0.00 55.95 57.68 2dbm s SER 72 Cb -0.06 -2.54 0.14 0.00 -1.71 0.00 0.00 66.02 61.85 2dbm s SER 72 CO 0.43 -3.76 1.04 0.61 1.20 0.00 0.00 173.24 172.76