#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 5.77 -0.55 1.61 0.01 -1.26 -5.00 113.70 114.28 2dbm s SER 2 Ca 0.00 2.60 0.04 0.00 1.31 0.00 0.00 55.95 59.90 2dbm s SER 2 Cb 0.00 -2.63 0.15 0.00 0.21 0.00 0.00 66.02 63.76 2dbm s SER 2 CO 0.00 -1.21 0.36 -0.44 0.41 0.00 0.00 173.24 172.35 2dbm s SER 3 N -1.04 3.90 0.00 2.44 0.01 -1.26 -4.78 113.70 112.97 2dbm s SER 3 Ca 0.66 -3.24 0.00 0.00 1.31 0.00 0.00 55.95 54.68 2dbm s SER 3 Cb -0.36 -1.29 0.00 0.00 0.21 0.00 0.00 66.02 64.58 2dbm s SER 3 CO 0.44 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.52 2dbm n GLY 4 N 2.74 0.00 3.90 3.44 0.00 -1.26 -5.17 105.19 108.85 2dbm n GLY 4 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 2dbm n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dbm s SER 5 N 0.00 6.32 -0.57 1.61 0.15 -1.26 -5.02 113.70 114.93 2dbm s SER 5 Ca 0.00 0.94 -0.28 0.00 0.70 0.00 0.00 55.95 57.32 2dbm s SER 5 Cb 0.00 -2.25 0.03 0.00 -1.71 0.00 0.00 66.02 62.09 2dbm s SER 5 CO 0.00 -0.52 1.15 -0.55 1.20 0.00 0.00 173.24 174.52 2dbm s SER 6 N -3.88 6.45 0.00 5.45 0.15 -1.26 -4.89 113.70 115.71 2dbm s SER 6 Ca 0.48 0.07 0.00 0.00 0.70 0.00 0.00 55.95 57.19 2dbm s SER 6 Cb -0.10 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.67 2dbm s SER 6 CO 0.41 -1.42 0.00 0.61 1.20 0.00 0.00 173.24 174.04 2dbm n GLY 7 N 5.05 1.04 3.68 9.45 0.00 -1.26 -5.11 105.19 118.04 2dbm n GLY 7 Ca 0.08 -1.29 -0.42 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.94 4.25 0.04 1.61 0.04 -1.26 -4.95 135.00 132.79 2dbm s PRO 8 Ca 0.00 2.02 0.01 0.00 0.04 0.00 0.00 61.00 63.07 2dbm s PRO 8 Cb 0.00 -3.68 -0.03 0.00 0.04 0.00 0.00 34.50 30.83 2dbm s PRO 8 CO 0.00 -0.66 -0.05 0.00 0.04 0.00 0.00 177.00 176.33 2dbm s ARG 11 N -2.46 2.89 0.22 0.00 3.52 -0.74 -1.28 118.95 121.11 2dbm s ARG 11 Ca 0.15 -0.65 -0.27 0.00 -0.13 0.00 0.00 55.73 54.82 2dbm s ARG 11 Cb -0.08 -2.53 -0.09 0.00 -1.56 0.00 0.00 34.95 30.69 2dbm s ARG 11 CO 0.07 0.48 0.87 0.00 -0.81 0.00 0.00 175.30 175.91 2dbm s ALA 12 N -0.35 3.37 -0.08 6.12 0.00 -1.17 -0.28 121.76 129.37 2dbm s ALA 12 Ca 0.04 0.49 0.19 0.00 0.00 0.00 0.00 51.96 52.68 2dbm s ALA 12 Cb -0.12 -3.10 -0.28 0.00 0.00 0.00 0.00 23.12 19.62 2dbm s ALA 12 CO 0.02 0.24 0.31 1.28 0.00 0.00 0.00 175.76 177.61 2dbm n LEU 13 N 1.38 0.00 0.00 0.00 4.77 -0.42 -1.18 117.00 121.55 2dbm n LEU 13 Ca -0.03 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.80 2dbm n LEU 13 Cb 0.48 0.16 -0.05 0.00 -2.33 0.00 0.00 43.42 41.68 2dbm n LEU 13 CO 0.48 0.16 0.02 -1.22 -1.33 0.00 0.00 177.39 175.50 2dbm n TYR 14 N -2.38 -0.98 -3.90 -1.77 4.02 -1.25 -4.83 117.16 106.07 2dbm n TYR 14 Ca -0.13 -2.32 -0.35 0.00 -0.01 0.00 0.00 57.90 55.09 2dbm n TYR 14 Cb 0.73 0.36 -0.05 0.00 -0.02 0.00 0.00 39.34 40.36 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 -3.01 6.36 -0.06 7.72 -4.77 -1.26 -3.06 116.67 118.58 2dbm s ASP 15 Ca 0.31 0.41 -0.03 0.00 -3.30 0.00 0.00 52.55 49.94 2dbm s ASP 15 Cb 0.01 -2.03 0.04 0.00 -1.09 0.00 0.00 42.92 39.85 2dbm s ASP 15 CO 0.22 0.34 0.13 0.12 0.70 0.00 0.00 175.17 176.68 2dbm s PHE 16 N -1.17 -0.14 -0.12 2.11 5.36 -1.09 -5.01 117.98 117.93 2dbm s PHE 16 Ca 0.21 0.45 -0.03 0.00 -0.96 0.00 0.00 56.93 56.60 2dbm s PHE 16 Cb -0.12 -0.14 -0.03 0.00 -0.34 0.00 0.00 43.02 42.38 2dbm s PHE 16 CO 0.11 -0.18 -0.01 -2.00 -1.46 0.00 0.00 175.22 171.69 2dbm s GLU 17 N 1.38 3.31 -0.09 10.12 -6.30 -1.26 -2.45 118.70 123.41 2dbm s GLU 17 Ca -0.07 -0.44 -0.30 0.00 -2.50 0.00 0.00 54.97 51.67 2dbm s GLU 17 Cb -0.12 -2.87 -0.04 0.00 0.00 0.00 0.00 34.13 31.10 2dbm s GLU 17 CO -0.05 0.51 1.52 -1.25 0.02 0.00 0.00 175.26 176.00 2dbm s PRO 18 N -0.34 4.20 -0.06 4.30 0.04 -1.26 -4.91 135.00 136.96 2dbm s PRO 18 Ca 0.07 2.01 -0.12 0.00 0.04 0.00 0.00 61.00 63.00 2dbm s PRO 18 Cb -0.12 -3.89 -0.30 0.00 0.04 0.00 0.00 34.50 30.23 2dbm s PRO 18 CO 0.02 -0.79 0.63 1.49 0.04 0.00 0.00 177.00 178.39 2dbm h GLU 19 N 9.01 0.36 -6.75 4.56 4.22 -1.98 -3.47 114.58 120.53 2dbm h GLU 19 Ca -0.35 -0.61 -0.69 0.00 0.08 0.00 0.00 59.36 57.79 2dbm h GLU 19 Cb 1.15 0.23 -0.23 0.00 0.50 0.00 0.00 28.75 30.40 2dbm h GLU 19 CO 0.96 1.29 -0.85 0.54 -2.18 0.00 0.00 179.01 178.77 2dbm s ASN 20 N -7.23 3.49 0.49 1.04 4.22 -1.26 -5.10 114.94 110.60 2dbm s ASN 20 Ca -0.17 -0.59 -0.20 0.00 -2.14 0.00 0.00 52.86 49.76 2dbm s ASN 20 Cb 0.05 -0.39 -0.12 0.00 1.28 0.00 0.00 41.25 42.07 2dbm s ASN 20 CO 0.83 0.22 0.36 1.21 -2.04 0.00 0.00 177.10 177.68 2dbm n GLU 21 N 1.29 0.39 0.00 3.55 4.07 -1.26 -2.40 120.64 126.28 2dbm n GLU 21 Ca -0.17 0.15 0.00 0.00 -0.06 0.00 0.00 57.16 57.08 2dbm n GLU 21 Cb 0.52 -1.44 0.00 0.00 -0.06 0.00 0.00 31.44 30.47 2dbm n GLU 21 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2dbm n GLY 22 N 1.98 2.77 3.69 8.31 0.00 -1.26 -5.02 105.19 115.65 2dbm n GLY 22 Ca 0.11 -0.69 -0.44 0.00 0.00 0.00 0.00 46.02 44.99 2dbm n GLY 22 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dbm n GLU 23 N 0.00 2.18 -3.58 1.61 -0.58 -1.01 -4.26 120.64 115.00 2dbm n GLU 23 Ca 0.00 0.78 -0.40 0.00 -0.42 0.00 0.00 57.16 57.12 2dbm n GLU 23 Cb 0.00 -2.46 -0.11 0.00 -0.57 0.00 0.00 31.44 28.30 2dbm n GLU 23 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 2dbm s LEU 24 N -0.01 4.38 0.42 -4.62 2.96 -1.25 -4.72 118.68 115.85 2dbm s LEU 24 Ca 0.67 -0.50 -0.22 0.00 -0.22 0.00 0.00 54.13 53.87 2dbm s LEU 24 Cb -0.62 -2.08 -0.10 0.00 0.50 0.00 0.00 46.19 43.89 2dbm s LEU 24 CO 0.49 -0.23 0.98 -0.83 -1.32 0.00 0.00 176.35 175.44 2dbm s GLY 25 N 1.67 2.52 0.30 7.98 0.00 -1.26 -4.71 107.32 113.82 2dbm s GLY 25 Ca 0.05 0.50 0.03 0.00 0.00 0.00 0.00 44.72 45.29 2dbm s GLY 25 CO 0.09 0.83 0.09 -0.11 0.00 0.00 0.00 173.10 174.00 2dbm s PHE 26 N -1.99 1.72 0.03 1.90 -0.12 -1.03 -5.02 117.98 113.48 2dbm s PHE 26 Ca 0.61 -1.13 0.04 0.00 -0.05 0.00 0.00 56.93 56.39 2dbm s PHE 26 Cb -0.14 -1.06 -0.02 0.00 -0.63 0.00 0.00 43.02 41.18 2dbm s PHE 26 CO 0.18 -0.23 -0.12 0.21 -0.05 0.00 0.00 175.22 175.21 2dbm s LYS 27 N -3.93 0.83 -0.13 1.99 2.36 -1.26 -2.67 119.74 116.92 2dbm s LYS 27 Ca 0.36 -0.64 -0.39 0.00 -2.55 0.00 0.00 55.97 52.75 2dbm s LYS 27 Cb 0.07 -0.80 -0.16 0.00 -1.05 0.00 0.00 37.83 35.90 2dbm s LYS 27 CO 0.15 0.20 1.61 -1.91 1.55 0.00 0.00 175.35 176.95 2dbm n GLU 28 N 2.10 1.23 0.00 4.03 2.13 -1.17 -0.40 120.64 128.55 2dbm n GLU 28 Ca -0.17 0.45 0.00 0.00 0.66 0.00 0.00 57.16 58.09 2dbm n GLU 28 Cb 0.55 -2.13 0.00 0.00 0.27 0.00 0.00 31.44 30.14 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 3.61 2.61 3.68 8.31 0.00 -0.33 -4.96 105.19 118.12 2dbm n GLY 29 Ca 0.23 -0.53 -0.51 0.00 0.00 0.00 0.00 46.02 45.21 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 1.09 3.01 -4.65 1.61 9.92 0.46 -4.43 116.55 123.58 2dbm n ASP 30 Ca 0.00 1.02 -0.41 0.00 -0.53 0.00 0.00 54.79 54.87 2dbm n ASP 30 Cb 0.00 -1.30 -0.05 0.00 -0.64 0.00 0.00 41.12 39.13 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 3.40 4.88 -0.32 0.53 -1.09 -1.26 -3.02 121.20 124.32 2dbm s ILE 31 Ca 0.92 1.48 -0.12 0.00 -2.23 0.00 0.00 60.65 60.70 2dbm s ILE 31 Cb -0.81 -4.08 -0.02 0.00 -1.58 0.00 0.00 42.46 35.97 2dbm s ILE 31 CO 0.54 -0.03 0.22 -0.63 -1.23 0.00 0.00 174.94 173.81 2dbm s ILE 32 N 2.60 5.20 0.83 2.92 1.01 -0.40 -4.92 121.20 128.45 2dbm s ILE 32 Ca 0.33 -0.16 -0.14 0.00 0.00 0.00 0.00 60.65 60.68 2dbm s ILE 32 Cb -0.16 -3.63 0.01 0.00 0.01 0.00 0.00 42.46 38.69 2dbm s ILE 32 CO 0.08 0.05 0.53 0.41 0.00 0.00 0.00 174.94 176.02 2dbm n THR 33 N 5.08 1.01 -5.09 2.92 -1.04 -1.25 -2.48 114.28 113.43 2dbm n THR 33 Ca -0.13 -0.29 -0.30 0.00 -2.04 0.00 0.00 64.05 61.29 2dbm n THR 33 Cb 0.50 -0.73 -0.17 0.00 -1.82 0.00 0.00 70.33 68.12 2dbm n THR 33 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2dbm s LEU 34 N -1.09 2.00 0.07 -4.42 1.43 -0.65 -3.93 118.68 112.09 2dbm s LEU 34 Ca 0.62 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 53.25 2dbm s LEU 34 Cb -0.28 -1.24 0.00 0.00 0.03 0.00 0.00 46.19 44.70 2dbm s LEU 34 CO 0.62 0.18 0.00 0.35 0.23 0.00 0.00 176.35 177.73 2dbm n THR 35 N 3.22 0.40 -3.96 5.49 -2.24 0.18 -4.68 114.28 112.70 2dbm n THR 35 Ca -0.18 0.13 -0.10 0.00 -2.27 0.00 0.00 64.05 61.63 2dbm n THR 35 Cb 0.52 -1.28 -0.03 0.00 -2.10 0.00 0.00 70.33 67.45 2dbm n THR 35 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2dbm s ASN 36 N -5.32 0.15 -0.06 3.42 3.84 -0.89 -5.01 114.94 111.07 2dbm s ASN 36 Ca 0.00 -1.06 0.03 0.00 0.21 0.00 0.00 52.86 52.04 2dbm s ASN 36 Cb 0.00 0.69 0.00 0.00 -0.55 0.00 0.00 41.25 41.39 2dbm s ASN 36 CO 0.00 -1.34 -0.16 -1.58 -2.79 0.00 0.00 177.10 171.24 2dbm s GLN 37 N -3.38 1.87 -0.22 0.43 0.74 -1.26 0.15 119.66 117.99 2dbm s GLN 37 Ca 0.21 -0.56 -0.05 0.00 0.05 0.00 0.00 55.36 55.01 2dbm s GLN 37 Cb -0.02 -1.56 -0.12 0.00 1.10 0.00 0.00 33.01 32.41 2dbm s GLN 37 CO 0.12 0.16 -0.24 -0.89 -0.55 0.00 0.00 175.29 173.89 2dbm n ILE 38 N 3.42 1.21 -3.48 -2.34 -0.00 -1.26 -4.96 119.36 111.95 2dbm n ILE 38 Ca -0.20 -0.38 -0.23 0.00 -0.00 0.00 0.00 62.75 61.94 2dbm n ILE 38 Cb 0.53 -1.53 0.02 0.00 -0.00 0.00 0.00 39.64 38.65 2dbm n ILE 38 CO 0.00 0.00 0.00 -1.81 -0.00 0.00 0.00 176.55 174.74 2dbm s ASP 39 N -6.54 4.90 0.05 4.38 1.11 -1.26 -5.02 116.67 114.29 2dbm s ASP 39 Ca -0.30 -1.01 0.26 0.00 0.18 0.00 0.00 52.55 51.68 2dbm s ASP 39 Cb 0.10 0.23 0.65 0.00 1.07 0.00 0.00 42.92 44.97 2dbm s ASP 39 CO 0.44 -1.14 1.53 -0.62 1.18 0.00 0.00 175.17 176.56 2dbm n GLU 40 N -1.94 0.11 0.00 8.23 -0.58 -1.26 -3.83 120.64 121.36 2dbm n GLU 40 Ca 0.06 0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 2dbm n GLU 40 Cb 0.63 -1.58 0.00 0.00 -0.57 0.00 0.00 31.44 29.91 2dbm n GLU 40 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2dbm n ASN 41 N -1.75 0.97 -4.49 1.62 3.02 -1.26 -5.03 115.26 108.34 2dbm n ASN 41 Ca 0.05 -1.42 -0.23 0.00 -0.03 0.00 0.00 54.58 52.95 2dbm n ASN 41 Cb 0.38 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.44 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 -0.42 2.15 0.25 3.10 0.52 -1.25 0.08 118.94 123.37 2dbm s TRP 42 Ca 0.00 -0.66 0.01 0.00 0.02 0.00 0.00 56.10 55.47 2dbm s TRP 42 Cb 0.00 -1.29 -0.05 0.00 -1.15 0.00 0.00 33.47 30.99 2dbm s TRP 42 CO 0.00 0.36 0.12 0.71 0.02 0.00 0.00 176.95 178.16 2dbm s TYR 43 N -2.89 1.45 -0.18 -1.98 2.02 -0.60 -4.19 117.35 110.98 2dbm s TYR 43 Ca 0.32 -1.28 0.00 0.00 -0.37 0.00 0.00 57.07 55.74 2dbm s TYR 43 Cb 0.05 -0.80 0.04 0.00 -0.40 0.00 0.00 41.96 40.85 2dbm s TYR 43 CO 0.14 -0.46 -0.09 -2.00 -1.57 0.00 0.00 175.55 171.57 2dbm s GLU 44 N -4.02 1.84 0.20 -0.62 2.12 0.41 -3.04 118.70 115.59 2dbm s GLU 44 Ca 0.38 -0.69 -0.03 0.00 0.36 0.00 0.00 54.97 54.99 2dbm s GLU 44 Cb 0.07 -2.23 0.01 0.00 0.26 0.00 0.00 34.13 32.25 2dbm s GLU 44 CO 0.14 -0.41 0.31 0.41 -0.54 0.00 0.00 175.26 175.17 2dbm n GLY 45 N 4.76 2.28 3.39 -1.50 0.00 -1.24 0.47 105.19 113.35 2dbm n GLY 45 Ca -0.14 -1.41 -0.33 0.00 0.00 0.00 0.00 46.02 44.14 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 -2.33 3.17 -0.13 1.61 -1.94 -1.25 -3.35 119.30 115.08 2dbm s MET 46 Ca 0.14 -0.70 -0.06 0.00 -1.71 0.00 0.00 55.69 53.36 2dbm s MET 46 Cb -0.01 -2.56 0.05 0.00 2.01 0.00 0.00 34.83 34.33 2dbm s MET 46 CO 0.10 0.31 0.30 -1.17 -0.01 0.00 0.00 175.02 174.54 2dbm s LEU 47 N 0.10 0.11 -1.27 -0.03 2.96 0.19 -3.86 118.68 116.88 2dbm s LEU 47 Ca -0.06 0.65 -0.06 0.00 -0.22 0.00 0.00 54.13 54.43 2dbm s LEU 47 Cb -0.15 0.90 0.01 0.00 0.50 0.00 0.00 46.19 47.45 2dbm s LEU 47 CO 0.05 -0.19 1.10 1.41 -1.32 0.00 0.00 176.35 177.40 2dbm n HIS 48 N 4.50 -2.62 -1.30 5.38 8.25 -1.26 -1.43 115.22 126.75 2dbm n HIS 48 Ca -0.21 0.96 -0.10 0.00 -0.26 0.00 0.00 57.72 58.11 2dbm n HIS 48 Cb 0.53 -4.91 -0.04 0.00 1.12 0.00 0.00 29.99 26.68 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 -1.75 1.06 3.58 -1.41 0.00 -1.26 -4.96 105.19 100.45 2dbm n GLY 49 Ca -0.06 -0.13 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.06 2.16 -0.09 1.61 3.76 -0.51 -5.15 115.29 115.01 2dbm s HIS 50 Ca 0.00 -0.87 -0.03 0.00 -0.15 0.00 0.00 55.06 54.01 2dbm s HIS 50 Cb 0.00 -1.54 0.04 0.00 1.11 0.00 0.00 32.58 32.19 2dbm s HIS 50 CO 0.00 0.20 0.07 0.45 -0.85 0.00 0.00 174.74 174.61 2dbm s SER 51 N -3.66 1.57 0.35 1.40 0.15 -1.26 -0.63 113.70 111.62 2dbm s SER 51 Ca 0.29 -0.16 -0.05 0.00 0.70 0.00 0.00 55.95 56.73 2dbm s SER 51 Cb 0.07 -0.19 0.01 0.00 -1.71 0.00 0.00 66.02 64.21 2dbm s SER 51 CO 0.14 -0.28 0.54 -0.83 1.20 0.00 0.00 173.24 174.01 2dbm s GLY 52 N 2.15 1.24 -0.20 9.45 0.00 -1.21 -5.02 107.32 113.72 2dbm s GLY 52 Ca 0.04 -1.35 -0.08 0.00 0.00 0.00 0.00 44.72 43.33 2dbm s GLY 52 CO -0.05 -0.85 0.09 -1.36 0.00 0.00 0.00 173.10 170.93 2dbm s PHE 53 N -2.95 3.27 0.20 1.90 0.08 -1.26 -3.65 117.98 115.56 2dbm s PHE 53 Ca 0.27 0.09 0.11 0.00 0.12 0.00 0.00 56.93 57.52 2dbm s PHE 53 Cb -0.01 -2.14 -0.04 0.00 -0.57 0.00 0.00 43.02 40.25 2dbm s PHE 53 CO 0.18 0.11 -0.22 -0.59 -0.10 0.00 0.00 175.22 174.60 2dbm s PHE 54 N 0.62 2.15 0.57 0.36 -0.71 -1.17 -3.74 117.98 116.07 2dbm s PHE 54 Ca 0.05 -0.39 -0.18 0.00 -1.04 0.00 0.00 56.93 55.37 2dbm s PHE 54 Cb -0.13 -1.04 -0.04 0.00 -1.21 0.00 0.00 43.02 40.60 2dbm s PHE 54 CO 0.01 0.49 1.12 -1.25 -1.34 0.00 0.00 175.22 174.25 2dbm s PRO 55 N -2.86 3.21 0.03 1.99 0.04 -1.26 -1.56 135.00 134.58 2dbm s PRO 55 Ca 0.21 1.55 0.22 0.00 0.04 0.00 0.00 61.00 63.03 2dbm s PRO 55 Cb -0.07 -1.99 -0.08 0.00 0.04 0.00 0.00 34.50 32.40 2dbm s PRO 55 CO 0.10 -0.96 0.89 -0.89 0.04 0.00 0.00 177.00 176.18 2dbm n ILE 56 N -1.60 0.13 1.35 0.56 5.41 0.11 -4.03 119.36 121.30 2dbm n ILE 56 Ca 0.11 -0.28 0.11 0.00 1.00 0.00 0.00 62.75 63.69 2dbm n ILE 56 Cb 0.51 0.25 0.63 0.00 -0.71 0.00 0.00 39.64 40.33 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 -1.99 0.00 -0.02 4.38 4.13 -1.26 -2.85 115.26 117.64 2dbm n ASN 57 Ca 0.01 -0.68 -0.02 0.00 1.68 0.00 0.00 54.58 55.56 2dbm n ASN 57 Cb 0.45 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.66 2dbm n ASN 57 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 2dbm n TYR 58 N -0.99 0.00 -4.24 3.10 4.01 -1.26 -5.05 117.16 112.73 2dbm n TYR 58 Ca 0.16 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.67 2dbm n TYR 58 Cb 0.07 -0.22 -0.06 0.00 -0.31 0.00 0.00 39.34 38.82 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 -2.11 3.73 0.11 -0.72 -7.23 -1.13 -1.30 120.40 111.75 2dbm s VAL 59 Ca -0.02 -1.75 0.08 0.00 -1.81 0.00 0.00 61.98 58.47 2dbm s VAL 59 Cb 0.01 -3.00 -0.04 0.00 0.56 0.00 0.00 36.38 33.92 2dbm s VAL 59 CO 0.18 -0.35 -0.12 -1.83 -0.31 0.00 0.00 175.10 172.66 2dbm s GLU 60 N -3.68 2.04 -0.39 4.82 -1.05 0.61 -4.79 118.70 116.26 2dbm s GLU 60 Ca 0.32 -1.07 -0.15 0.00 -0.15 0.00 0.00 54.97 53.92 2dbm s GLU 60 Cb -0.07 -2.25 0.01 0.00 -0.44 0.00 0.00 34.13 31.38 2dbm s GLU 60 CO 0.21 0.50 0.30 0.42 0.95 0.00 0.00 175.26 177.64 2dbm s ILE 61 N -1.21 5.25 -0.07 1.83 -1.09 -1.26 -1.79 121.20 122.86 2dbm s ILE 61 Ca 0.21 -0.50 -0.10 0.00 -2.23 0.00 0.00 60.65 58.03 2dbm s ILE 61 Cb -0.11 -3.88 -0.29 0.00 -1.58 0.00 0.00 42.46 36.60 2dbm s ILE 61 CO 0.13 -0.24 0.56 -0.07 -1.23 0.00 0.00 174.94 174.09 2dbm h LEU 62 N 8.64 0.55 -7.99 2.97 3.38 -1.95 -3.44 115.31 117.46 2dbm h LEU 62 Ca -0.28 -0.94 -0.68 0.00 0.09 0.00 0.00 57.88 56.07 2dbm h LEU 62 Cb 1.13 -0.18 -0.34 0.00 0.09 0.00 0.00 40.66 41.36 2dbm h LEU 62 CO 0.71 1.81 -0.75 -0.69 0.09 0.00 0.00 178.44 179.61 2dbm s VAL 63 N -2.57 2.63 0.09 1.22 1.01 -1.25 -5.05 120.40 116.48 2dbm s VAL 63 Ca -0.18 -1.42 -0.31 0.00 0.00 0.00 0.00 61.98 60.07 2dbm s VAL 63 Cb 0.06 -2.48 -0.11 0.00 0.00 0.00 0.00 36.38 33.85 2dbm s VAL 63 CO 0.82 -0.01 1.85 0.00 0.00 0.00 0.00 175.10 177.77 2dbm n ALA 64 N 4.56 1.91 -1.37 5.51 0.00 -1.26 -4.49 120.51 125.35 2dbm n ALA 64 Ca -0.14 0.30 -0.37 0.00 0.00 0.00 0.00 53.44 53.23 2dbm n ALA 64 Cb 0.44 -2.59 0.05 0.00 0.00 0.00 0.00 19.45 17.35 2dbm n ALA 64 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2dbm n LEU 65 N 5.95 0.89 -4.55 0.00 4.77 -1.26 -4.81 117.00 118.00 2dbm n LEU 65 Ca 0.19 0.67 -0.37 0.00 -0.03 0.00 0.00 56.01 56.47 2dbm n LEU 65 Cb 0.37 -1.20 -0.03 0.00 -2.33 0.00 0.00 43.42 40.22 2dbm n LEU 65 CO 0.67 -3.05 1.57 -2.16 -1.33 0.00 0.00 177.39 173.09 2dbm s PRO 66 N -2.43 2.61 -0.64 3.23 0.04 -1.26 -4.94 135.00 131.61 2dbm s PRO 66 Ca 0.67 0.49 -0.28 0.00 0.04 0.00 0.00 61.00 61.93 2dbm s PRO 66 Cb -0.40 -4.48 0.03 0.00 0.04 0.00 0.00 34.50 29.69 2dbm s PRO 66 CO 0.56 -2.83 1.28 -3.38 0.04 0.00 0.00 177.00 172.67 2dbm s HIS 67 N 9.25 2.40 0.36 0.56 -3.43 -1.26 -5.00 115.29 118.17 2dbm s HIS 67 Ca 0.68 0.25 0.08 0.00 -0.80 0.00 0.00 55.06 55.27 2dbm s HIS 67 Cb -0.12 -4.53 -0.03 0.00 -1.43 0.00 0.00 32.58 26.47 2dbm s HIS 67 CO 0.18 -1.86 0.29 -1.12 -2.00 0.00 0.00 174.74 170.22 2dbm s SER 68 N 3.64 5.09 0.00 7.38 0.01 -1.26 -5.10 113.70 123.45 2dbm s SER 68 Ca 0.42 -0.63 0.00 0.00 1.31 0.00 0.00 55.95 57.05 2dbm s SER 68 Cb -0.08 -0.80 0.00 0.00 0.21 0.00 0.00 66.02 65.34 2dbm s SER 68 CO 0.21 -0.44 0.00 0.61 0.41 0.00 0.00 173.24 174.04 2dbm n GLY 69 N -1.38 4.71 0.22 3.44 0.00 -1.26 -4.99 105.19 105.93 2dbm n GLY 69 Ca -0.00 -1.17 -0.13 0.00 0.00 0.00 0.00 46.02 44.71 2dbm n GLY 69 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dbm h PRO 70 N 0.00 0.73 -1.74 1.61 0.13 -2.01 -3.46 132.00 127.26 2dbm h PRO 70 Ca 0.00 -0.38 0.07 0.00 -0.87 0.00 0.00 66.00 64.82 2dbm h PRO 70 Cb 0.00 0.01 -0.24 0.00 0.13 0.00 0.00 31.00 30.90 2dbm h PRO 70 CO 0.00 1.00 0.23 -1.12 -0.23 0.00 0.00 178.00 177.88 2dbm s SER 71 N -6.58 -0.69 -0.63 1.44 0.01 -1.26 -5.09 113.70 100.90 2dbm s SER 71 Ca -0.12 1.12 -0.26 0.00 1.31 0.00 0.00 55.95 57.99 2dbm s SER 71 Cb 0.09 1.28 -0.11 0.00 0.21 0.00 0.00 66.02 67.49 2dbm s SER 71 CO 0.84 -0.18 2.46 -1.20 0.41 0.00 0.00 173.24 175.57 2dbm n SER 72 N 3.90 1.81 0.00 2.44 7.64 -1.26 -5.25 113.62 122.89 2dbm n SER 72 Ca -0.19 -0.53 0.00 0.00 1.01 0.00 0.00 58.87 59.16 2dbm n SER 72 Cb 0.58 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.32 2dbm n SER 72 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64