#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dbm h SER 2 N 0.00 -0.53 -5.12 1.61 0.87 -2.07 -3.45 113.55 104.85 2dbm h SER 2 Ca 0.00 0.08 -0.04 0.00 -1.23 0.00 0.00 61.79 60.60 2dbm h SER 2 Cb 0.00 0.23 -0.11 0.00 -0.44 0.00 0.00 62.40 62.08 2dbm h SER 2 CO 0.00 -0.24 -0.06 -0.55 -0.53 0.00 0.00 176.83 175.45 2dbm s SER 3 N -4.99 -0.19 -0.49 6.23 0.15 -1.26 -5.11 113.70 108.04 2dbm s SER 3 Ca -0.15 -0.53 0.06 0.00 0.70 0.00 0.00 55.95 56.03 2dbm s SER 3 Cb 0.09 0.53 0.21 0.00 -1.71 0.00 0.00 66.02 65.14 2dbm s SER 3 CO 0.67 -0.98 0.50 0.61 1.20 0.00 0.00 173.24 175.23 2dbm n GLY 4 N -0.29 3.15 2.83 9.45 0.00 -1.26 -5.07 105.19 114.00 2dbm n GLY 4 Ca -0.11 -1.86 -0.26 0.00 0.00 0.00 0.00 46.02 43.80 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 -1.06 2.26 -0.34 1.61 0.01 -1.26 -5.09 113.70 109.82 2dbm s SER 5 Ca 0.34 -0.40 -0.28 0.00 1.31 0.00 0.00 55.95 56.92 2dbm s SER 5 Cb 0.09 -0.69 -0.03 0.00 0.21 0.00 0.00 66.02 65.61 2dbm s SER 5 CO -0.13 -0.19 1.89 -0.55 0.41 0.00 0.00 173.24 174.67 2dbm s SER 6 N 1.80 5.71 -0.13 2.44 0.15 -1.26 -4.92 113.70 117.50 2dbm s SER 6 Ca 0.03 1.30 -0.30 0.00 0.70 0.00 0.00 55.95 57.67 2dbm s SER 6 Cb -0.14 -2.52 0.13 0.00 -1.71 0.00 0.00 66.02 61.77 2dbm s SER 6 CO -0.07 -1.85 1.02 -0.83 1.20 0.00 0.00 173.24 172.71 2dbm s GLY 7 N 6.83 -0.31 -0.20 9.45 0.00 -1.26 -5.13 107.32 116.70 2dbm s GLY 7 Ca 0.82 1.71 -0.29 0.00 0.00 0.00 0.00 44.72 46.96 2dbm s GLY 7 CO 0.32 0.75 1.60 2.56 0.00 0.00 0.00 173.10 178.33 2dbm s PRO 8 N -1.91 3.85 0.06 2.90 0.04 -1.26 -4.95 135.00 133.73 2dbm s PRO 8 Ca 0.03 1.70 -0.02 0.00 0.04 0.00 0.00 61.00 62.75 2dbm s PRO 8 Cb -0.01 -4.02 -0.03 0.00 0.04 0.00 0.00 34.50 30.48 2dbm s PRO 8 CO -0.03 -1.22 0.00 0.00 0.04 0.00 0.00 177.00 175.79 2dbm s ARG 11 N -3.74 1.42 0.30 0.00 3.52 -0.41 -2.78 118.95 117.26 2dbm s ARG 11 Ca 0.32 -0.31 -0.26 0.00 -0.13 0.00 0.00 55.73 55.36 2dbm s ARG 11 Cb 0.09 -1.24 -0.10 0.00 -1.56 0.00 0.00 34.95 32.14 2dbm s ARG 11 CO 0.16 -0.03 0.91 0.00 -0.81 0.00 0.00 175.30 175.54 2dbm s ALA 12 N 0.82 3.26 -0.14 6.12 0.00 -1.15 0.22 121.76 130.88 2dbm s ALA 12 Ca -0.12 0.48 0.18 0.00 0.00 0.00 0.00 51.96 52.50 2dbm s ALA 12 Cb -0.15 -3.13 -0.24 0.00 0.00 0.00 0.00 23.12 19.59 2dbm s ALA 12 CO 0.02 0.20 0.33 1.28 0.00 0.00 0.00 175.76 177.59 2dbm n LEU 13 N 0.71 0.25 0.00 0.00 4.77 -0.31 -1.72 117.00 120.70 2dbm n LEU 13 Ca 0.01 0.12 -0.12 0.00 -0.03 0.00 0.00 56.01 55.99 2dbm n LEU 13 Cb 0.50 0.32 -0.04 0.00 -2.33 0.00 0.00 43.42 41.86 2dbm n LEU 13 CO 0.45 0.36 -0.01 -1.22 -1.33 0.00 0.00 177.39 175.64 2dbm n TYR 14 N -2.74 -0.71 -3.79 -1.77 4.01 -1.26 -4.71 117.16 106.19 2dbm n TYR 14 Ca -0.23 -1.73 -0.34 0.00 -0.16 0.00 0.00 57.90 55.44 2dbm n TYR 14 Cb 1.01 0.25 -0.05 0.00 -0.31 0.00 0.00 39.34 40.24 2dbm n TYR 14 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2dbm s ASP 15 N -2.48 6.46 -0.08 7.72 2.15 -1.26 -3.50 116.67 125.67 2dbm s ASP 15 Ca 0.24 0.51 -0.03 0.00 0.43 0.00 0.00 52.55 53.69 2dbm s ASP 15 Cb 0.01 -2.07 0.05 0.00 -0.30 0.00 0.00 42.92 40.61 2dbm s ASP 15 CO 0.17 0.25 0.15 0.12 -0.17 0.00 0.00 175.17 175.68 2dbm s PHE 16 N -1.32 -0.15 0.09 -5.34 5.36 -0.28 -4.99 117.98 111.35 2dbm s PHE 16 Ca 0.28 0.54 -0.12 0.00 -0.96 0.00 0.00 56.93 56.67 2dbm s PHE 16 Cb -0.13 -0.30 -0.06 0.00 -0.34 0.00 0.00 43.02 42.19 2dbm s PHE 16 CO 0.17 -0.28 0.45 -1.21 -1.46 0.00 0.00 175.22 172.89 2dbm s GLU 17 N 2.28 3.85 0.10 10.12 2.02 -1.26 -1.48 118.70 134.33 2dbm s GLU 17 Ca 0.03 0.31 -0.31 0.00 0.02 0.00 0.00 54.97 55.02 2dbm s GLU 17 Cb -0.12 -3.02 -0.08 0.00 0.10 0.00 0.00 34.13 31.02 2dbm s GLU 17 CO -0.06 0.56 1.37 -1.25 0.02 0.00 0.00 175.26 175.90 2dbm s PRO 18 N -1.78 4.33 -0.11 0.39 0.04 -1.26 -4.88 135.00 131.73 2dbm s PRO 18 Ca 0.33 2.03 0.11 0.00 0.04 0.00 0.00 61.00 63.51 2dbm s PRO 18 Cb -0.15 -3.27 -0.15 0.00 0.04 0.00 0.00 34.50 30.97 2dbm s PRO 18 CO 0.18 -0.42 0.07 -0.85 0.04 0.00 0.00 177.00 176.01 2dbm n GLU 19 N 3.99 1.88 -4.29 4.56 0.28 -1.26 -5.04 120.64 120.75 2dbm n GLU 19 Ca 0.11 -0.02 -0.15 0.00 -0.16 0.00 0.00 57.16 56.94 2dbm n GLU 19 Cb 0.43 -1.31 -0.10 0.00 1.43 0.00 0.00 31.44 31.89 2dbm n GLU 19 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 2dbm s ASN 20 N -4.38 1.55 0.66 -1.84 0.01 -1.26 -5.11 114.94 104.57 2dbm s ASN 20 Ca -0.06 -1.19 -0.17 0.00 -0.71 0.00 0.00 52.86 50.73 2dbm s ASN 20 Cb 0.04 0.06 -0.04 0.00 0.41 0.00 0.00 41.25 41.72 2dbm s ASN 20 CO 0.50 -0.53 0.80 -1.84 -1.51 0.00 0.00 177.10 174.52 2dbm n GLU 21 N -0.33 0.59 0.00 -0.60 0.00 -1.26 -2.40 120.64 116.64 2dbm n GLU 21 Ca -0.06 0.24 0.00 0.00 0.00 0.00 0.00 57.16 57.35 2dbm n GLU 21 Cb 0.63 -2.04 0.00 0.00 0.00 0.00 0.00 31.44 30.04 2dbm n GLU 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2dbm n GLY 22 N 1.40 1.45 3.67 -1.84 0.00 -1.26 -4.94 105.19 103.66 2dbm n GLY 22 Ca 0.13 -0.04 -0.63 0.00 0.00 0.00 0.00 46.02 45.47 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 0.45 -3.24 1.61 -0.58 -1.01 -3.55 120.64 114.32 2dbm n GLU 23 Ca 0.00 0.16 -0.46 0.00 -0.42 0.00 0.00 57.16 56.44 2dbm n GLU 23 Cb 0.00 -1.75 -0.04 0.00 -0.57 0.00 0.00 31.44 29.08 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 3.74 6.06 0.46 -4.62 2.96 -1.11 -4.71 118.68 121.46 2dbm s LEU 24 Ca 1.05 -1.91 -0.25 0.00 -0.22 0.00 0.00 54.13 52.80 2dbm s LEU 24 Cb -1.32 -2.24 -0.08 0.00 0.50 0.00 0.00 46.19 43.05 2dbm s LEU 24 CO 0.73 -0.87 1.39 -0.83 -1.32 0.00 0.00 176.35 175.45 2dbm s GLY 25 N 3.29 2.91 0.30 7.98 0.00 -1.26 -4.72 107.32 115.81 2dbm s GLY 25 Ca 0.10 1.40 0.03 0.00 0.00 0.00 0.00 44.72 46.25 2dbm s GLY 25 CO 0.01 1.98 0.05 -0.11 0.00 0.00 0.00 173.10 175.03 2dbm s PHE 26 N -1.24 1.83 0.42 1.90 -0.12 -0.55 -4.97 117.98 115.24 2dbm s PHE 26 Ca 0.62 -0.99 0.06 0.00 -0.05 0.00 0.00 56.93 56.58 2dbm s PHE 26 Cb -0.42 -1.15 -0.07 0.00 -0.63 0.00 0.00 43.02 40.75 2dbm s PHE 26 CO 0.53 -0.06 0.01 0.21 -0.05 0.00 0.00 175.22 175.87 2dbm s LYS 27 N -3.91 1.97 0.20 1.99 2.20 -1.26 -1.13 119.74 119.81 2dbm s LYS 27 Ca 0.35 -2.14 -0.31 0.00 -0.36 0.00 0.00 55.97 53.52 2dbm s LYS 27 Cb 0.08 -1.58 -0.10 0.00 -1.51 0.00 0.00 37.83 34.73 2dbm s LYS 27 CO 0.14 -0.10 1.46 -2.00 -0.36 0.00 0.00 175.35 174.49 2dbm s GLU 28 N -3.74 4.27 -1.41 4.03 2.12 -1.23 -2.56 118.70 120.18 2dbm s GLU 28 Ca 0.31 2.26 -0.03 0.00 0.36 0.00 0.00 54.97 57.87 2dbm s GLU 28 Cb 0.09 -3.15 0.00 0.00 0.26 0.00 0.00 34.13 31.33 2dbm s GLU 28 CO 0.16 -0.46 0.44 0.41 -0.54 0.00 0.00 175.26 175.27 2dbm n GLY 29 N 2.85 -0.37 3.50 -1.50 0.00 -0.70 -4.98 105.19 103.99 2dbm n GLY 29 Ca 0.09 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.64 5.46 -0.33 1.61 1.11 -1.06 -4.85 116.67 115.97 2dbm s ASP 30 Ca 0.22 -0.13 -0.29 0.00 0.18 0.00 0.00 52.55 52.53 2dbm s ASP 30 Cb -0.10 -1.99 0.01 0.00 1.07 0.00 0.00 42.92 41.91 2dbm s ASP 30 CO 0.27 -0.03 1.15 -0.63 1.18 0.00 0.00 175.17 177.11 2dbm s ILE 31 N 1.61 4.36 -0.34 0.77 -1.09 -1.26 -2.93 121.20 122.32 2dbm s ILE 31 Ca 0.06 1.54 -0.10 0.00 -2.23 0.00 0.00 60.65 59.92 2dbm s ILE 31 Cb -0.15 -4.36 0.01 0.00 -1.58 0.00 0.00 42.46 36.38 2dbm s ILE 31 CO 0.06 -0.54 0.18 -0.63 -1.23 0.00 0.00 174.94 172.78 2dbm s ILE 32 N 3.96 4.61 0.89 2.92 1.01 -1.12 -4.94 121.20 128.53 2dbm s ILE 32 Ca 0.49 -0.60 -0.15 0.00 0.00 0.00 0.00 60.65 60.39 2dbm s ILE 32 Cb -0.13 -3.45 -0.05 0.00 0.01 0.00 0.00 42.46 38.84 2dbm s ILE 32 CO 0.20 -0.07 0.02 0.41 0.00 0.00 0.00 174.94 175.50 2dbm n THR 33 N 4.99 0.35 -5.12 2.92 -1.04 -1.26 -3.07 114.28 112.06 2dbm n THR 33 Ca -0.13 -0.35 -0.31 0.00 -2.04 0.00 0.00 64.05 61.23 2dbm n THR 33 Cb 0.48 -0.41 -0.17 0.00 -1.82 0.00 0.00 70.33 68.41 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 2.30 2.02 0.07 -4.42 1.43 -1.08 -3.96 118.68 115.02 2dbm s LEU 34 Ca 0.53 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 53.12 2dbm s LEU 34 Cb -0.25 -1.30 0.00 0.00 0.03 0.00 0.00 46.19 44.67 2dbm s LEU 34 CO 0.70 0.15 0.00 0.35 0.23 0.00 0.00 176.35 177.78 2dbm n THR 35 N 3.50 0.41 -3.88 5.49 -2.24 0.12 -4.88 114.28 112.81 2dbm n THR 35 Ca -0.19 0.13 -0.08 0.00 -2.27 0.00 0.00 64.05 61.64 2dbm n THR 35 Cb 0.53 -1.26 -0.01 0.00 -2.10 0.00 0.00 70.33 67.49 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 -5.33 -0.08 -0.08 3.42 3.84 -1.18 -5.02 114.94 110.51 2dbm s ASN 36 Ca 0.00 -0.88 0.04 0.00 0.21 0.00 0.00 52.86 52.22 2dbm s ASN 36 Cb 0.00 0.75 0.00 0.00 -0.55 0.00 0.00 41.25 41.45 2dbm s ASN 36 CO 0.00 -1.43 -0.20 -1.58 -2.79 0.00 0.00 177.10 171.10 2dbm s GLN 37 N -3.35 2.55 -0.26 0.43 0.74 -1.26 0.37 119.66 118.87 2dbm s GLN 37 Ca 0.15 -0.72 -0.06 0.00 0.05 0.00 0.00 55.36 54.78 2dbm s GLN 37 Cb -0.05 -1.98 -0.14 0.00 1.10 0.00 0.00 33.01 31.94 2dbm s GLN 37 CO 0.10 0.14 -0.29 -0.89 -0.55 0.00 0.00 175.29 173.80 2dbm n ILE 38 N 3.57 1.48 -3.37 -2.34 -0.00 -1.26 -4.99 119.36 112.44 2dbm n ILE 38 Ca -0.20 -0.47 -0.13 0.00 -0.00 0.00 0.00 62.75 61.95 2dbm n ILE 38 Cb 0.53 -1.64 0.02 0.00 -0.00 0.00 0.00 39.64 38.54 2dbm n ILE 38 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 2dbm n ASP 39 N -3.74 1.58 0.03 4.38 8.00 -1.26 -5.03 116.55 120.50 2dbm n ASP 39 Ca -0.49 -1.95 0.11 0.00 0.71 0.00 0.00 54.79 53.17 2dbm n ASP 39 Cb 0.93 -0.13 0.09 0.00 -0.02 0.00 0.00 41.12 41.99 2dbm n ASP 39 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 2dbm n GLU 40 N -1.46 0.24 0.00 -1.24 0.28 -1.26 -4.11 120.64 113.09 2dbm n GLU 40 Ca 0.04 0.02 0.00 0.00 -0.16 0.00 0.00 57.16 57.06 2dbm n GLU 40 Cb 0.34 -1.60 0.00 0.00 1.43 0.00 0.00 31.44 31.61 2dbm n GLU 40 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2dbm n ASN 41 N -1.92 1.12 -4.51 -1.84 3.02 -1.26 -5.04 115.26 104.83 2dbm n ASN 41 Ca 0.03 -1.56 -0.24 0.00 -0.03 0.00 0.00 54.58 52.78 2dbm n ASN 41 Cb 0.42 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.48 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 -0.56 2.23 0.26 3.10 0.52 -1.26 0.16 118.94 123.40 2dbm s TRP 42 Ca 0.00 -0.62 0.02 0.00 0.02 0.00 0.00 56.10 55.51 2dbm s TRP 42 Cb 0.00 -1.34 -0.04 0.00 -1.15 0.00 0.00 33.47 30.94 2dbm s TRP 42 CO 0.00 0.42 0.13 0.71 0.02 0.00 0.00 176.95 178.23 2dbm s TYR 43 N -2.81 1.47 -0.05 -1.98 2.02 -0.03 -4.30 117.35 111.67 2dbm s TYR 43 Ca 0.32 -1.31 0.03 0.00 -0.37 0.00 0.00 57.07 55.74 2dbm s TYR 43 Cb 0.04 -0.80 0.01 0.00 -0.40 0.00 0.00 41.96 40.81 2dbm s TYR 43 CO 0.15 -0.49 -0.13 -2.00 -1.57 0.00 0.00 175.55 171.51 2dbm s GLU 44 N -3.98 1.64 0.09 -0.62 2.12 0.16 -2.55 118.70 115.56 2dbm s GLU 44 Ca 0.37 -0.46 -0.11 0.00 0.36 0.00 0.00 54.97 55.13 2dbm s GLU 44 Cb 0.07 -1.39 0.04 0.00 0.26 0.00 0.00 34.13 33.10 2dbm s GLU 44 CO 0.15 0.10 0.54 0.41 -0.54 0.00 0.00 175.26 175.92 2dbm n GLY 45 N 3.54 0.90 3.19 -1.50 0.00 -1.24 0.15 105.19 110.23 2dbm n GLY 45 Ca -0.21 -1.03 -0.34 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.02 3.08 -0.29 1.61 -1.94 -1.26 -3.68 119.30 114.80 2dbm s MET 46 Ca 0.12 -0.79 0.02 0.00 -1.71 0.00 0.00 55.69 53.33 2dbm s MET 46 Cb -0.01 -2.77 0.08 0.00 2.01 0.00 0.00 34.83 34.14 2dbm s MET 46 CO 0.03 -0.24 -0.01 -1.17 -0.01 0.00 0.00 175.02 173.62 2dbm s LEU 47 N 1.35 3.54 -1.41 -0.03 2.96 -0.51 -3.99 118.68 120.60 2dbm s LEU 47 Ca 0.04 -1.63 -0.04 0.00 -0.22 0.00 0.00 54.13 52.28 2dbm s LEU 47 Cb -0.14 -1.40 0.00 0.00 0.50 0.00 0.00 46.19 45.16 2dbm s LEU 47 CO -0.09 -0.29 0.54 1.41 -1.32 0.00 0.00 176.35 176.60 2dbm n HIS 48 N 4.48 -1.76 -1.00 5.38 8.25 -1.26 -1.74 115.22 127.57 2dbm n HIS 48 Ca -0.06 0.47 -0.00 0.00 -0.26 0.00 0.00 57.72 57.87 2dbm n HIS 48 Cb 0.43 -4.16 -0.00 0.00 1.12 0.00 0.00 29.99 27.37 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 -1.45 0.40 3.31 -1.41 0.00 -1.26 -5.03 105.19 99.75 2dbm n GLY 49 Ca -0.10 -0.97 -0.34 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.00 2.90 -0.50 1.61 3.76 -0.71 -5.08 115.29 115.27 2dbm s HIS 50 Ca 0.00 -0.92 -0.12 0.00 -0.15 0.00 0.00 55.06 53.87 2dbm s HIS 50 Cb 0.00 -2.01 0.12 0.00 1.11 0.00 0.00 32.58 31.80 2dbm s HIS 50 CO 0.00 -0.47 0.41 -1.54 -0.85 0.00 0.00 174.74 172.29 2dbm s SER 51 N 1.11 5.92 0.35 1.40 1.04 -1.26 -1.42 113.70 120.84 2dbm s SER 51 Ca 0.01 -1.82 -0.05 0.00 0.48 0.00 0.00 55.95 54.57 2dbm s SER 51 Cb -0.15 -2.10 0.01 0.00 0.10 0.00 0.00 66.02 63.89 2dbm s SER 51 CO -0.02 -0.75 0.55 -0.83 0.98 0.00 0.00 173.24 173.16 2dbm s GLY 52 N 3.03 1.26 -0.07 7.32 0.00 -1.24 -4.97 107.32 112.65 2dbm s GLY 52 Ca 0.04 -1.36 -0.03 0.00 0.00 0.00 0.00 44.72 43.37 2dbm s GLY 52 CO 0.01 -0.85 0.09 -1.36 0.00 0.00 0.00 173.10 171.00 2dbm s PHE 53 N -2.87 3.40 0.09 1.90 0.08 -1.23 -3.73 117.98 115.61 2dbm s PHE 53 Ca 0.27 0.34 0.03 0.00 0.12 0.00 0.00 56.93 57.69 2dbm s PHE 53 Cb -0.01 -1.83 -0.03 0.00 -0.57 0.00 0.00 43.02 40.57 2dbm s PHE 53 CO 0.19 0.61 -0.10 -0.59 -0.10 0.00 0.00 175.22 175.23 2dbm s PHE 54 N -1.08 0.98 0.62 0.36 -0.71 -1.06 -2.75 117.98 114.35 2dbm s PHE 54 Ca 0.18 -0.64 -0.17 0.00 -1.04 0.00 0.00 56.93 55.27 2dbm s PHE 54 Cb -0.12 -0.55 -0.02 0.00 -1.21 0.00 0.00 43.02 41.12 2dbm s PHE 54 CO 0.08 -0.03 1.12 -1.25 -1.34 0.00 0.00 175.22 173.80 2dbm s PRO 55 N -2.61 3.01 -0.13 1.99 0.04 -1.26 -0.85 135.00 135.18 2dbm s PRO 55 Ca 0.03 1.48 0.13 0.00 0.04 0.00 0.00 61.00 62.67 2dbm s PRO 55 Cb -0.04 -1.97 -0.24 0.00 0.04 0.00 0.00 34.50 32.30 2dbm s PRO 55 CO -0.00 -1.10 0.32 -0.89 0.04 0.00 0.00 177.00 175.37 2dbm n ILE 56 N -2.00 1.52 0.10 0.56 5.41 0.12 -3.85 119.36 121.23 2dbm n ILE 56 Ca 0.11 -0.80 0.06 0.00 1.00 0.00 0.00 62.75 63.12 2dbm n ILE 56 Cb 0.52 -0.86 0.34 0.00 -0.71 0.00 0.00 39.64 38.92 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 -2.96 0.32 -0.11 4.38 5.15 -1.26 -1.30 115.26 119.47 2dbm n ASN 57 Ca -0.27 0.61 -0.14 0.00 -0.60 0.00 0.00 54.58 54.18 2dbm n ASN 57 Cb 1.09 -0.64 -0.12 0.00 -0.53 0.00 0.00 39.78 39.58 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 -1.93 0.00 -4.52 1.20 4.01 -1.26 -4.95 117.16 109.71 2dbm n TYR 58 Ca -0.01 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.39 2dbm n TYR 58 Cb 0.09 -0.93 -0.12 0.00 -0.31 0.00 0.00 39.34 38.07 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 -2.48 3.79 -0.06 -0.72 -7.23 -0.42 -1.16 120.40 112.12 2dbm s VAL 59 Ca -0.25 -0.42 -0.16 0.00 -1.81 0.00 0.00 61.98 59.34 2dbm s VAL 59 Cb 0.07 -2.60 -0.05 0.00 0.56 0.00 0.00 36.38 34.36 2dbm s VAL 59 CO 0.63 0.55 0.42 -0.70 -0.31 0.00 0.00 175.10 175.69 2dbm s GLU 60 N -0.26 4.11 -0.40 4.82 -6.30 0.13 -4.66 118.70 116.14 2dbm s GLU 60 Ca 0.04 0.39 -0.24 0.00 -2.50 0.00 0.00 54.97 52.66 2dbm s GLU 60 Cb -0.13 -3.32 0.02 0.00 0.00 0.00 0.00 34.13 30.70 2dbm s GLU 60 CO 0.02 0.45 0.83 0.42 0.02 0.00 0.00 175.26 177.01 2dbm s ILE 61 N -0.29 4.64 -0.07 -3.70 -1.09 -1.26 -1.29 121.20 118.14 2dbm s ILE 61 Ca 0.24 0.80 -0.12 0.00 -2.23 0.00 0.00 60.65 59.34 2dbm s ILE 61 Cb -0.16 -4.30 -0.30 0.00 -1.58 0.00 0.00 42.46 36.13 2dbm s ILE 61 CO 0.11 -0.59 0.62 -0.07 -1.23 0.00 0.00 174.94 173.78 2dbm h LEU 62 N 10.03 0.55 -7.97 2.97 3.38 -1.93 -3.44 115.31 118.90 2dbm h LEU 62 Ca -0.24 -0.92 -0.68 0.00 0.09 0.00 0.00 57.88 56.13 2dbm h LEU 62 Cb 1.09 -0.18 -0.34 0.00 0.09 0.00 0.00 40.66 41.32 2dbm h LEU 62 CO 0.95 1.75 -0.72 -0.69 0.09 0.00 0.00 178.44 179.83 2dbm s VAL 63 N -2.55 2.78 0.18 1.22 1.01 -1.23 -5.05 120.40 116.76 2dbm s VAL 63 Ca -0.17 -1.52 -0.32 0.00 0.00 0.00 0.00 61.98 59.97 2dbm s VAL 63 Cb 0.05 -2.64 -0.11 0.00 0.00 0.00 0.00 36.38 33.68 2dbm s VAL 63 CO 0.83 -0.14 1.72 0.00 0.00 0.00 0.00 175.10 177.51 2dbm s ALA 64 N 1.20 3.88 0.86 5.51 0.00 -1.26 -4.39 121.76 127.56 2dbm s ALA 64 Ca -0.05 1.53 -0.15 0.00 0.00 0.00 0.00 51.96 53.29 2dbm s ALA 64 Cb -0.20 -3.70 -0.05 0.00 0.00 0.00 0.00 23.12 19.17 2dbm s ALA 64 CO -0.02 -0.97 0.09 1.28 0.00 0.00 0.00 175.76 176.13 2dbm n LEU 65 N 4.36 -1.70 0.00 0.00 4.77 -1.26 -4.79 117.00 118.39 2dbm n LEU 65 Ca 0.16 0.40 0.06 0.00 -0.03 0.00 0.00 56.01 56.59 2dbm n LEU 65 Cb 0.36 -1.06 0.33 0.00 -2.33 0.00 0.00 43.42 40.72 2dbm n LEU 65 CO 0.64 -4.20 0.55 -0.81 -1.33 0.00 0.00 177.39 172.24 2dbm n PRO 66 N -0.06 0.49 -2.28 3.23 -0.04 -1.26 -4.79 135.00 130.29 2dbm n PRO 66 Ca 0.06 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.11 2dbm n PRO 66 Cb 0.53 -1.36 -0.03 0.00 -0.04 0.00 0.00 33.50 32.60 2dbm n PRO 66 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2dbm s HIS 67 N -2.00 3.30 -0.28 0.54 5.65 -1.26 -5.03 115.29 116.21 2dbm s HIS 67 Ca 0.17 1.47 -0.14 0.00 0.25 0.00 0.00 55.06 56.80 2dbm s HIS 67 Cb 0.08 -3.51 0.09 0.00 -1.18 0.00 0.00 32.58 28.06 2dbm s HIS 67 CO 0.13 -1.38 0.66 0.45 -0.65 0.00 0.00 174.74 173.96 2dbm s SER 68 N -0.38 -0.97 0.00 9.88 0.15 -1.26 -5.12 113.70 116.00 2dbm s SER 68 Ca 0.49 1.50 0.00 0.00 0.70 0.00 0.00 55.95 58.64 2dbm s SER 68 Cb -0.36 1.57 0.00 0.00 -1.71 0.00 0.00 66.02 65.53 2dbm s SER 68 CO 0.44 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.26 2dbm n GLY 69 N 4.59 0.53 3.77 9.45 0.00 -1.26 -5.07 105.19 117.20 2dbm n GLY 69 Ca -0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 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 0.19 4.08 0.51 1.61 0.04 -1.26 -5.05 135.00 135.11 2dbm s PRO 70 Ca 0.00 1.90 0.05 0.00 0.04 0.00 0.00 61.00 63.00 2dbm s PRO 70 Cb 0.00 -2.73 0.01 0.00 0.04 0.00 0.00 34.50 31.82 2dbm s PRO 70 CO 0.00 -0.31 0.32 -1.12 0.04 0.00 0.00 177.00 175.92 2dbm s SER 71 N -1.03 4.58 0.72 6.66 0.01 -1.26 -5.14 113.70 118.24 2dbm s SER 71 Ca 0.56 -1.22 -0.05 0.00 1.31 0.00 0.00 55.95 56.55 2dbm s SER 71 Cb -0.32 0.19 0.09 0.00 0.21 0.00 0.00 66.02 66.19 2dbm s SER 71 CO 0.41 -0.94 1.02 -0.94 0.41 0.00 0.00 173.24 173.20 2dbm s SER 72 N -4.16 4.51 0.00 2.44 1.04 -1.26 -5.33 113.70 110.94 2dbm s SER 72 Ca 0.33 0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.89 2dbm s SER 72 Cb -0.01 -0.66 0.00 0.00 0.10 0.00 0.00 66.02 65.46 2dbm s SER 72 CO 0.20 -1.77 0.00 0.61 0.98 0.00 0.00 173.24 173.26