#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 1.08 -0.19 1.61 0.01 -1.26 -5.16 113.70 109.80 2dbm s SER 2 Ca 0.00 -0.53 -0.16 0.00 1.31 0.00 0.00 55.95 56.56 2dbm s SER 2 Cb 0.00 0.00 0.05 0.00 0.21 0.00 0.00 66.02 66.28 2dbm s SER 2 CO 0.00 -0.14 0.49 -0.55 0.41 0.00 0.00 173.24 173.45 2dbm s SER 3 N -1.51 -0.53 0.00 2.44 0.15 -1.26 -5.06 113.70 107.93 2dbm s SER 3 Ca -0.07 1.01 0.00 0.00 0.70 0.00 0.00 55.95 57.59 2dbm s SER 3 Cb -0.09 1.00 0.00 0.00 -1.71 0.00 0.00 66.02 65.22 2dbm s SER 3 CO 0.01 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.88 2dbm n GLY 4 N 3.02 1.00 3.22 9.45 0.00 -1.26 -5.07 105.19 115.55 2dbm n GLY 4 Ca -0.15 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.21 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 -4.00 3.04 -0.33 1.61 0.01 -1.26 -5.11 113.70 107.67 2dbm s SER 5 Ca 0.00 -0.54 -0.07 0.00 1.31 0.00 0.00 55.95 56.65 2dbm s SER 5 Cb 0.00 -1.30 0.03 0.00 0.21 0.00 0.00 66.02 64.96 2dbm s SER 5 CO 0.00 0.17 0.10 -0.55 0.41 0.00 0.00 173.24 173.37 2dbm s SER 6 N 0.27 5.26 0.00 2.44 0.15 -1.26 -5.00 113.70 115.56 2dbm s SER 6 Ca -0.16 -1.01 0.00 0.00 0.70 0.00 0.00 55.95 55.47 2dbm s SER 6 Cb -0.17 -1.87 0.00 0.00 -1.71 0.00 0.00 66.02 62.26 2dbm s SER 6 CO 0.08 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.84 2dbm n GLY 7 N 4.83 -1.85 3.70 9.45 0.00 -1.26 -4.95 105.19 115.12 2dbm n GLY 7 Ca -0.13 -2.01 -0.42 0.00 0.00 0.00 0.00 46.02 43.46 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 4.30 0.17 1.61 0.04 -1.26 -5.01 135.00 134.85 2dbm s PRO 8 Ca 0.00 2.03 -0.01 0.00 0.04 0.00 0.00 61.00 63.06 2dbm s PRO 8 Cb 0.00 -3.44 -0.04 0.00 0.04 0.00 0.00 34.50 31.06 2dbm s PRO 8 CO 0.00 -0.52 0.09 0.00 0.04 0.00 0.00 177.00 176.60 2dbm s ARG 11 N -3.92 2.45 -0.16 0.00 6.06 -0.27 -3.34 118.95 119.78 2dbm s ARG 11 Ca 0.33 -0.87 -0.15 0.00 -2.50 0.00 0.00 55.73 52.54 2dbm s ARG 11 Cb 0.07 -2.19 -0.04 0.00 0.06 0.00 0.00 34.95 32.85 2dbm s ARG 11 CO 0.11 0.47 0.35 0.00 -2.50 0.00 0.00 175.30 173.73 2dbm s ALA 12 N -0.37 3.56 -0.07 6.12 0.00 -0.47 -0.00 121.76 130.53 2dbm s ALA 12 Ca 0.03 -0.40 0.14 0.00 0.00 0.00 0.00 51.96 51.72 2dbm s ALA 12 Cb -0.12 -2.49 -0.21 0.00 0.00 0.00 0.00 23.12 20.30 2dbm s ALA 12 CO 0.02 0.01 0.66 1.28 0.00 0.00 0.00 175.76 177.73 2dbm n LEU 13 N 3.73 0.81 0.00 0.00 4.77 -0.55 -1.53 117.00 124.23 2dbm n LEU 13 Ca -0.10 0.38 -0.15 0.00 -0.03 0.00 0.00 56.01 56.11 2dbm n LEU 13 Cb 0.52 0.17 -0.05 0.00 -2.33 0.00 0.00 43.42 41.73 2dbm n LEU 13 CO 0.41 0.34 -0.00 -1.22 -1.33 0.00 0.00 177.39 175.58 2dbm n TYR 14 N -2.99 -0.86 -4.01 -1.77 4.01 -1.25 -4.64 117.16 105.65 2dbm n TYR 14 Ca -0.16 -2.17 -0.28 0.00 -0.16 0.00 0.00 57.90 55.13 2dbm n TYR 14 Cb 1.01 0.31 -0.05 0.00 -0.31 0.00 0.00 39.34 40.31 2dbm n TYR 14 CO 0.00 0.00 0.00 0.16 -0.46 0.00 0.00 176.86 176.56 2dbm s ASP 15 N -2.86 5.89 0.03 7.72 1.47 -1.26 -3.72 116.67 123.95 2dbm s ASP 15 Ca 0.30 0.06 -0.04 0.00 1.18 0.00 0.00 52.55 54.04 2dbm s ASP 15 Cb 0.01 -1.67 -0.01 0.00 -0.34 0.00 0.00 42.92 40.90 2dbm s ASP 15 CO 0.21 0.12 0.07 0.12 0.68 0.00 0.00 175.17 176.37 2dbm s PHE 16 N -1.59 0.22 0.02 2.11 5.36 -0.73 -4.97 117.98 118.38 2dbm s PHE 16 Ca 0.32 -0.51 0.07 0.00 -0.96 0.00 0.00 56.93 55.86 2dbm s PHE 16 Cb -0.12 -0.16 -0.03 0.00 -0.34 0.00 0.00 43.02 42.38 2dbm s PHE 16 CO 0.25 -0.33 -0.20 -1.21 -1.46 0.00 0.00 175.22 172.27 2dbm s GLU 17 N -2.37 2.10 0.12 10.12 0.41 -1.26 -2.93 118.70 124.89 2dbm s GLU 17 Ca -0.07 -0.95 -0.31 0.00 -0.41 0.00 0.00 54.97 53.23 2dbm s GLU 17 Cb -0.03 -2.16 -0.08 0.00 -1.78 0.00 0.00 34.13 30.09 2dbm s GLU 17 CO -0.04 0.55 1.36 -1.25 -0.49 0.00 0.00 175.26 175.39 2dbm s PRO 18 N -1.13 4.34 -0.12 0.39 0.04 -1.26 -4.84 135.00 132.41 2dbm s PRO 18 Ca 0.13 2.03 -0.04 0.00 0.04 0.00 0.00 61.00 63.16 2dbm s PRO 18 Cb -0.10 -3.25 -0.25 0.00 0.04 0.00 0.00 34.50 30.93 2dbm s PRO 18 CO 0.03 -0.39 0.34 -1.91 0.04 0.00 0.00 177.00 175.10 2dbm n GLU 19 N 3.81 0.74 -4.32 4.56 2.13 -1.26 -5.01 120.64 121.28 2dbm n GLU 19 Ca 0.11 0.25 -0.20 0.00 0.66 0.00 0.00 57.16 57.98 2dbm n GLU 19 Cb 0.43 -1.70 -0.08 0.00 0.27 0.00 0.00 31.44 30.36 2dbm n GLU 19 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2dbm s ASN 20 N -6.87 1.70 0.54 4.31 4.22 -1.26 -5.02 114.94 112.55 2dbm s ASN 20 Ca -0.21 -1.69 0.25 0.00 -2.14 0.00 0.00 52.86 49.07 2dbm s ASN 20 Cb 0.07 0.52 1.42 0.00 1.28 0.00 0.00 41.25 44.54 2dbm s ASN 20 CO 0.76 -1.00 2.02 -0.33 -2.04 0.00 0.00 177.10 176.52 2dbm h GLU 21 N 2.13 0.00 -1.72 3.55 5.08 -2.04 -1.95 114.58 119.64 2dbm h GLU 21 Ca -0.29 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.61 2dbm h GLU 21 Cb 1.24 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.31 2dbm h GLU 21 CO 0.43 0.00 0.49 0.41 -1.00 0.00 0.00 179.01 179.34 2dbm n GLY 22 N -1.59 4.48 2.92 -3.84 0.00 -1.26 -4.88 105.19 101.02 2dbm n GLY 22 Ca 0.07 -1.66 -0.11 0.00 0.00 0.00 0.00 46.02 44.32 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 -2.11 0.13 -0.32 1.61 0.41 -0.74 -4.51 118.70 113.18 2dbm s GLU 23 Ca 0.48 -0.25 0.04 0.00 -0.41 0.00 0.00 54.97 54.83 2dbm s GLU 23 Cb 0.35 0.04 0.09 0.00 -1.78 0.00 0.00 34.13 32.83 2dbm s GLU 23 CO -0.13 -0.02 0.02 -1.17 -0.49 0.00 0.00 175.26 173.47 2dbm s LEU 24 N -0.59 4.39 0.11 1.80 2.96 -0.51 -4.71 118.68 122.13 2dbm s LEU 24 Ca -0.06 -1.97 -0.31 0.00 -0.22 0.00 0.00 54.13 51.57 2dbm s LEU 24 Cb -0.04 -1.59 -0.08 0.00 0.50 0.00 0.00 46.19 44.99 2dbm s LEU 24 CO -0.00 -0.34 1.36 -0.83 -1.32 0.00 0.00 176.35 175.22 2dbm s GLY 25 N 0.97 2.06 0.37 7.98 0.00 -1.26 -4.63 107.32 112.80 2dbm s GLY 25 Ca 0.06 1.09 0.08 0.00 0.00 0.00 0.00 44.72 45.95 2dbm s GLY 25 CO -0.08 2.29 -0.01 -0.11 0.00 0.00 0.00 173.10 175.19 2dbm s PHE 26 N 1.02 2.49 0.36 1.90 -0.12 -1.15 -4.97 117.98 117.52 2dbm s PHE 26 Ca 0.63 -0.55 0.08 0.00 -0.05 0.00 0.00 56.93 57.05 2dbm s PHE 26 Cb -0.36 -1.59 -0.05 0.00 -0.63 0.00 0.00 43.02 40.39 2dbm s PHE 26 CO 0.31 0.48 0.14 0.15 -0.05 0.00 0.00 175.22 176.24 2dbm s LYS 27 N -3.70 2.30 0.24 1.99 3.01 -1.26 -1.78 119.74 120.54 2dbm s LYS 27 Ca 0.35 -1.65 -0.30 0.00 -1.01 0.00 0.00 55.97 53.37 2dbm s LYS 27 Cb 0.04 -2.10 -0.09 0.00 -1.01 0.00 0.00 37.83 34.67 2dbm s LYS 27 CO 0.18 0.05 1.25 -2.00 0.51 0.00 0.00 175.35 175.35 2dbm s GLU 28 N -3.85 4.44 -1.30 1.68 2.12 -1.24 -2.84 118.70 117.71 2dbm s GLU 28 Ca 0.38 2.01 0.00 0.00 0.36 0.00 0.00 54.97 57.73 2dbm s GLU 28 Cb -0.01 -3.18 0.00 0.00 0.26 0.00 0.00 34.13 31.21 2dbm s GLU 28 CO 0.22 -0.13 0.00 0.41 -0.54 0.00 0.00 175.26 175.23 2dbm n GLY 29 N 1.79 0.40 3.82 -1.50 0.00 -0.58 -5.00 105.19 104.12 2dbm n GLY 29 Ca 0.03 -0.32 -0.28 0.00 0.00 0.00 0.00 46.02 45.44 2dbm n GLY 29 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dbm s ASP 30 N -2.54 5.72 -0.30 1.61 1.11 -1.13 -4.85 116.67 116.29 2dbm s ASP 30 Ca 0.00 -0.00 -0.07 0.00 0.18 0.00 0.00 52.55 52.66 2dbm s ASP 30 Cb 0.00 -1.58 0.01 0.00 1.07 0.00 0.00 42.92 42.42 2dbm s ASP 30 CO 0.00 0.12 0.09 -0.63 1.18 0.00 0.00 175.17 175.93 2dbm s ILE 31 N -1.58 4.04 -0.33 0.77 -1.09 -1.26 -1.37 121.20 120.37 2dbm s ILE 31 Ca 0.31 -0.65 -0.15 0.00 -2.23 0.00 0.00 60.65 57.93 2dbm s ILE 31 Cb -0.11 -3.08 -0.01 0.00 -1.58 0.00 0.00 42.46 37.67 2dbm s ILE 31 CO 0.24 0.08 0.36 -0.63 -1.23 0.00 0.00 174.94 173.77 2dbm s ILE 32 N 1.51 5.17 0.83 2.92 1.09 -1.21 -4.94 121.20 126.58 2dbm s ILE 32 Ca 0.03 0.11 -0.14 0.00 -1.10 0.00 0.00 60.65 59.54 2dbm s ILE 32 Cb -0.17 -3.81 0.03 0.00 -1.06 0.00 0.00 42.46 37.45 2dbm s ILE 32 CO 0.03 -0.07 0.70 0.41 -0.10 0.00 0.00 174.94 175.91 2dbm n THR 33 N 5.23 1.18 -5.08 2.92 -1.04 -1.26 -3.29 114.28 112.95 2dbm n THR 33 Ca -0.09 -0.26 -0.30 0.00 -2.04 0.00 0.00 64.05 61.36 2dbm n THR 33 Cb 0.50 -0.84 -0.17 0.00 -1.82 0.00 0.00 70.33 68.00 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 -2.27 1.99 0.00 -4.42 1.43 -1.08 -4.00 118.68 110.34 2dbm s LEU 34 Ca 0.65 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 53.28 2dbm s LEU 34 Cb -0.28 -1.23 0.00 0.00 0.03 0.00 0.00 46.19 44.71 2dbm s LEU 34 CO 0.59 0.17 0.00 0.35 0.23 0.00 0.00 176.35 177.69 2dbm n THR 35 N 3.28 0.00 -3.83 5.49 -2.24 0.10 -4.75 114.28 112.33 2dbm n THR 35 Ca -0.19 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.52 2dbm n THR 35 Cb 0.52 -0.51 -0.00 0.00 -2.10 0.00 0.00 70.33 68.24 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 -4.05 -0.14 -0.01 3.42 2.47 -1.05 -5.01 114.94 110.56 2dbm s ASN 36 Ca 0.00 -0.80 0.05 0.00 0.42 0.00 0.00 52.86 52.53 2dbm s ASN 36 Cb 0.00 0.74 -0.01 0.00 -1.45 0.00 0.00 41.25 40.53 2dbm s ASN 36 CO 0.00 -1.42 -0.15 -1.58 -3.72 0.00 0.00 177.10 170.24 2dbm s GLN 37 N -3.16 1.18 -0.15 0.43 0.74 -1.26 0.22 119.66 117.66 2dbm s GLN 37 Ca 0.13 -0.54 -0.03 0.00 0.05 0.00 0.00 55.36 54.97 2dbm s GLN 37 Cb -0.05 -1.14 -0.08 0.00 1.10 0.00 0.00 33.01 32.84 2dbm s GLN 37 CO 0.08 0.31 -0.16 -0.89 -0.55 0.00 0.00 175.29 174.08 2dbm n ILE 38 N 2.68 0.83 -3.46 -2.34 -0.00 -1.26 -4.94 119.36 110.86 2dbm n ILE 38 Ca -0.14 -0.26 -0.23 0.00 -0.00 0.00 0.00 62.75 62.12 2dbm n ILE 38 Cb 0.55 -1.37 0.02 0.00 -0.00 0.00 0.00 39.64 38.85 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 -5.89 4.89 0.08 4.38 1.01 -1.26 -5.02 116.67 114.86 2dbm s ASP 39 Ca -0.20 -1.02 0.26 0.00 0.71 0.00 0.00 52.55 52.30 2dbm s ASP 39 Cb 0.07 0.28 0.65 0.00 1.01 0.00 0.00 42.92 44.92 2dbm s ASP 39 CO 0.30 -1.17 1.55 -0.62 0.21 0.00 0.00 175.17 175.43 2dbm n GLU 40 N -1.97 0.15 -0.00 8.23 4.71 -1.26 -3.80 120.64 126.70 2dbm n GLU 40 Ca 0.07 0.07 0.00 0.00 -0.01 0.00 0.00 57.16 57.28 2dbm n GLU 40 Cb 0.63 -1.62 0.00 0.00 -1.01 0.00 0.00 31.44 29.44 2dbm n GLU 40 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2dbm n ASN 41 N -1.84 1.10 -4.44 1.62 5.03 -1.26 -5.07 115.26 110.40 2dbm n ASN 41 Ca 0.05 -1.57 -0.22 0.00 0.87 0.00 0.00 54.58 53.72 2dbm n ASN 41 Cb 0.39 -0.01 -0.10 0.00 -1.02 0.00 0.00 39.78 39.04 2dbm n ASN 41 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 2dbm s TRP 42 N -0.57 2.02 0.21 3.10 0.52 -1.25 -0.97 118.94 122.01 2dbm s TRP 42 Ca 0.00 -0.62 0.02 0.00 0.02 0.00 0.00 56.10 55.52 2dbm s TRP 42 Cb 0.00 -1.11 -0.05 0.00 -1.15 0.00 0.00 33.47 31.17 2dbm s TRP 42 CO 0.00 0.38 0.04 0.71 0.02 0.00 0.00 176.95 178.10 2dbm s TYR 43 N -2.90 1.36 -0.09 -1.98 2.02 -0.99 -4.20 117.35 110.57 2dbm s TYR 43 Ca 0.29 -1.08 0.04 0.00 -0.37 0.00 0.00 57.07 55.95 2dbm s TYR 43 Cb 0.02 -0.78 0.00 0.00 -0.40 0.00 0.00 41.96 40.80 2dbm s TYR 43 CO 0.12 -0.26 -0.22 -2.00 -1.57 0.00 0.00 175.55 171.63 2dbm s GLU 44 N -3.96 2.71 0.21 -0.62 2.12 0.59 -2.98 118.70 116.77 2dbm s GLU 44 Ca 0.30 -0.80 -0.21 0.00 0.36 0.00 0.00 54.97 54.62 2dbm s GLU 44 Cb 0.07 -2.10 0.07 0.00 0.26 0.00 0.00 34.13 32.43 2dbm s GLU 44 CO 0.08 0.18 1.02 0.41 -0.54 0.00 0.00 175.26 176.41 2dbm n GLY 45 N 3.48 0.63 3.38 -1.50 0.00 -1.21 0.00 105.19 109.97 2dbm n GLY 45 Ca -0.19 -1.16 -0.33 0.00 0.00 0.00 0.00 46.02 44.33 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 -2.06 3.42 -0.01 1.61 -1.94 -1.26 -2.22 119.30 116.84 2dbm s MET 46 Ca 0.22 -0.66 -0.03 0.00 -1.71 0.00 0.00 55.69 53.51 2dbm s MET 46 Cb -0.03 -2.70 -0.00 0.00 2.01 0.00 0.00 34.83 34.11 2dbm s MET 46 CO 0.06 0.17 0.07 -1.17 -0.01 0.00 0.00 175.02 174.14 2dbm s LEU 47 N 0.47 1.79 -0.68 -0.03 2.96 0.67 -4.00 118.68 119.86 2dbm s LEU 47 Ca -0.08 -0.09 0.00 0.00 -0.22 0.00 0.00 54.13 53.73 2dbm s LEU 47 Cb -0.15 0.33 0.00 0.00 0.50 0.00 0.00 46.19 46.87 2dbm s LEU 47 CO 0.04 -0.18 0.00 0.00 -1.32 0.00 0.00 176.35 174.89 2dbm n HIS 48 N 2.29 -1.60 -1.87 5.38 1.44 -1.26 0.12 115.22 119.71 2dbm n HIS 48 Ca -0.18 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.48 2dbm n HIS 48 Cb 0.57 -2.13 -0.01 0.00 0.12 0.00 0.00 29.99 28.54 2dbm n HIS 48 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2dbm n GLY 49 N -0.69 0.31 2.97 -1.39 0.00 -1.26 -5.03 105.19 100.10 2dbm n GLY 49 Ca -0.09 -0.71 -0.14 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.24 -0.25 -0.43 1.61 3.76 0.33 -5.12 115.29 112.94 2dbm s HIS 50 Ca 0.00 0.66 -0.18 0.00 -0.15 0.00 0.00 55.06 55.38 2dbm s HIS 50 Cb 0.00 -0.05 0.02 0.00 1.11 0.00 0.00 32.58 33.66 2dbm s HIS 50 CO 0.00 -0.22 0.50 -1.54 -0.85 0.00 0.00 174.74 172.63 2dbm s SER 51 N 1.47 6.24 0.32 1.40 1.04 -1.26 -0.24 113.70 122.67 2dbm s SER 51 Ca -0.07 -0.57 0.04 0.00 0.48 0.00 0.00 55.95 55.83 2dbm s SER 51 Cb -0.11 -2.25 -0.02 0.00 0.10 0.00 0.00 66.02 63.73 2dbm s SER 51 CO -0.07 -0.64 0.32 -0.83 0.98 0.00 0.00 173.24 172.99 2dbm s GLY 52 N 1.87 2.05 -0.14 7.32 0.00 -0.94 -4.96 107.32 112.51 2dbm s GLY 52 Ca 0.15 -1.90 -0.07 0.00 0.00 0.00 0.00 44.72 42.90 2dbm s GLY 52 CO 0.15 -1.34 0.11 -1.36 0.00 0.00 0.00 173.10 170.66 2dbm s PHE 53 N -3.39 3.45 0.11 1.90 0.08 -1.26 -3.33 117.98 115.54 2dbm s PHE 53 Ca 0.38 0.38 0.06 0.00 0.12 0.00 0.00 56.93 57.86 2dbm s PHE 53 Cb 0.02 -1.99 -0.04 0.00 -0.57 0.00 0.00 43.02 40.44 2dbm s PHE 53 CO 0.25 0.52 -0.14 -0.59 -0.10 0.00 0.00 175.22 175.16 2dbm s PHE 54 N -0.48 1.35 0.54 0.36 -0.71 -1.16 -1.42 117.98 116.46 2dbm s PHE 54 Ca 0.11 -0.56 -0.19 0.00 -1.04 0.00 0.00 56.93 55.25 2dbm s PHE 54 Cb -0.12 -0.71 -0.06 0.00 -1.21 0.00 0.00 43.02 40.92 2dbm s PHE 54 CO 0.02 0.12 1.13 -1.25 -1.34 0.00 0.00 175.22 173.90 2dbm s PRO 55 N -2.60 3.35 0.00 1.99 0.04 -1.26 -2.36 135.00 134.16 2dbm s PRO 55 Ca 0.08 1.60 0.23 0.00 0.04 0.00 0.00 61.00 62.95 2dbm s PRO 55 Cb -0.05 -2.01 0.12 0.00 0.04 0.00 0.00 34.50 32.60 2dbm s PRO 55 CO 0.03 -0.85 1.15 -0.89 0.04 0.00 0.00 177.00 176.48 2dbm n ILE 56 N -1.32 0.00 1.74 0.56 5.41 -0.14 -4.04 119.36 121.57 2dbm n ILE 56 Ca 0.12 -0.05 0.06 0.00 1.00 0.00 0.00 62.75 63.88 2dbm n ILE 56 Cb 0.51 0.74 0.37 0.00 -0.71 0.00 0.00 39.64 40.55 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 -1.22 0.00 0.00 4.38 4.13 -1.26 -3.10 115.26 118.19 2dbm n ASN 57 Ca 0.06 -1.36 0.00 0.00 1.68 0.00 0.00 54.58 54.96 2dbm n ASN 57 Cb 0.35 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.59 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 -0.72 0.00 -4.33 3.10 4.01 -1.26 -5.06 117.16 112.90 2dbm n TYR 58 Ca 0.09 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.55 2dbm n TYR 58 Cb 0.04 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 38.96 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 -1.71 2.80 -0.10 -0.72 -7.23 -1.18 -1.48 120.40 110.77 2dbm s VAL 59 Ca 0.00 -1.69 -0.01 0.00 -1.81 0.00 0.00 61.98 58.48 2dbm s VAL 59 Cb 0.00 -2.32 -0.03 0.00 0.56 0.00 0.00 36.38 34.59 2dbm s VAL 59 CO 0.00 -0.01 -0.06 -0.70 -0.31 0.00 0.00 175.10 174.01 2dbm s GLU 60 N -2.46 3.12 -0.48 4.82 2.56 1.00 -4.76 118.70 122.50 2dbm s GLU 60 Ca 0.20 -0.55 -0.25 0.00 0.00 0.00 0.00 54.97 54.38 2dbm s GLU 60 Cb -0.09 -2.70 0.03 0.00 2.00 0.00 0.00 34.13 33.36 2dbm s GLU 60 CO 0.11 0.48 0.91 0.42 -0.56 0.00 0.00 175.26 176.62 2dbm s ILE 61 N -0.31 4.48 -0.02 -3.70 -1.09 -1.26 -1.11 121.20 118.19 2dbm s ILE 61 Ca 0.04 0.58 -0.11 0.00 -2.23 0.00 0.00 60.65 58.94 2dbm s ILE 61 Cb -0.13 -4.44 -0.32 0.00 -1.58 0.00 0.00 42.46 35.99 2dbm s ILE 61 CO 0.02 -0.89 0.79 -0.07 -1.23 0.00 0.00 174.94 173.57 2dbm h LEU 62 N 10.60 0.65 -7.97 2.97 3.38 -1.93 -3.44 115.31 119.57 2dbm h LEU 62 Ca -0.25 -0.87 -0.68 0.00 0.09 0.00 0.00 57.88 56.18 2dbm h LEU 62 Cb 1.08 -0.21 -0.34 0.00 0.09 0.00 0.00 40.66 41.27 2dbm h LEU 62 CO 1.03 1.72 -0.73 -0.69 0.09 0.00 0.00 178.44 179.85 2dbm s VAL 63 N -2.59 2.70 0.15 1.22 1.01 -1.22 -5.04 120.40 116.63 2dbm s VAL 63 Ca -0.13 -1.49 -0.31 0.00 0.00 0.00 0.00 61.98 60.05 2dbm s VAL 63 Cb 0.05 -2.57 -0.10 0.00 0.00 0.00 0.00 36.38 33.75 2dbm s VAL 63 CO 0.88 -0.09 1.74 0.00 0.00 0.00 0.00 175.10 177.62 2dbm s ALA 64 N 1.19 3.81 0.79 5.51 0.00 -1.26 -4.40 121.76 127.40 2dbm s ALA 64 Ca -0.06 1.45 -0.16 0.00 0.00 0.00 0.00 51.96 53.19 2dbm s ALA 64 Cb -0.20 -3.71 -0.04 0.00 0.00 0.00 0.00 23.12 19.17 2dbm s ALA 64 CO -0.03 -1.06 0.36 1.28 0.00 0.00 0.00 175.76 176.32 2dbm n LEU 65 N 4.93 -0.18 0.00 0.00 4.77 -1.26 -4.81 117.00 120.45 2dbm n LEU 65 Ca 0.16 0.50 0.08 0.00 -0.03 0.00 0.00 56.01 56.72 2dbm n LEU 65 Cb 0.38 -1.16 0.45 0.00 -2.33 0.00 0.00 43.42 40.76 2dbm n LEU 65 CO 0.64 -3.55 0.68 -0.81 -1.33 0.00 0.00 177.39 173.02 2dbm n PRO 66 N -0.60 0.45 -4.29 3.23 -0.04 -1.26 -4.57 135.00 127.92 2dbm n PRO 66 Ca 0.08 0.02 -0.33 0.00 -0.04 0.00 0.00 63.50 63.23 2dbm n PRO 66 Cb 0.51 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.32 2dbm n PRO 66 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2dbm s HIS 67 N -2.08 2.81 0.02 0.54 3.76 -1.26 -5.11 115.29 113.97 2dbm s HIS 67 Ca 0.22 -1.19 -0.05 0.00 -0.15 0.00 0.00 55.06 53.89 2dbm s HIS 67 Cb 0.11 -1.94 -0.01 0.00 1.11 0.00 0.00 32.58 31.85 2dbm s HIS 67 CO 0.19 -0.58 0.09 0.45 -0.85 0.00 0.00 174.74 174.03 2dbm s SER 68 N 1.08 0.13 -0.10 1.40 0.15 -1.26 -5.15 113.70 109.94 2dbm s SER 68 Ca -0.00 -0.39 -0.09 0.00 0.70 0.00 0.00 55.95 56.17 2dbm s SER 68 Cb -0.14 0.19 -0.05 0.00 -1.71 0.00 0.00 66.02 64.31 2dbm s SER 68 CO -0.04 -0.41 0.21 -0.83 1.20 0.00 0.00 173.24 173.37 2dbm s GLY 69 N -1.68 2.23 -0.68 9.45 0.00 -1.26 -5.03 107.32 110.36 2dbm s GLY 69 Ca -0.11 -0.53 -0.26 0.00 0.00 0.00 0.00 44.72 43.81 2dbm s GLY 69 CO -0.01 -0.17 1.89 2.56 0.00 0.00 0.00 173.10 177.37 2dbm s PRO 70 N -0.85 2.60 -1.04 2.90 0.04 -1.26 -4.92 135.00 132.48 2dbm s PRO 70 Ca 0.17 0.40 -0.23 0.00 0.04 0.00 0.00 61.00 61.38 2dbm s PRO 70 Cb -0.13 -4.55 0.05 0.00 0.04 0.00 0.00 34.50 29.91 2dbm s PRO 70 CO 0.06 -2.89 1.48 0.45 0.04 0.00 0.00 177.00 176.14 2dbm s SER 71 N 8.11 6.51 -0.95 6.66 0.15 -1.26 -4.93 113.70 127.99 2dbm s SER 71 Ca 0.68 -1.52 -0.24 0.00 0.70 0.00 0.00 55.95 55.57 2dbm s SER 71 Cb -0.11 -2.57 -0.04 0.00 -1.71 0.00 0.00 66.02 61.59 2dbm s SER 71 CO 0.16 -1.50 1.88 -0.44 1.20 0.00 0.00 173.24 174.53 2dbm s SER 72 N 4.96 5.34 0.00 5.45 0.01 -1.26 -5.35 113.70 122.86 2dbm s SER 72 Ca 0.47 -0.89 0.21 0.00 1.31 0.00 0.00 55.95 57.05 2dbm s SER 72 Cb 0.00 -2.56 1.24 0.00 0.21 0.00 0.00 66.02 64.91 2dbm s SER 72 CO -0.08 -2.58 1.62 0.61 0.41 0.00 0.00 173.24 173.21