#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jh5 s THR 2 N 0.00 2.15 -0.37 2.52 -4.23 -1.26 -5.11 115.64 109.34 1jh5 s THR 2 Ca 0.00 -1.64 -0.04 0.00 -1.18 0.00 0.00 61.69 58.83 1jh5 s THR 2 Cb 0.00 -2.80 0.08 0.00 1.34 0.00 0.00 72.50 71.13 1jh5 s THR 2 CO 0.00 0.00 0.15 -1.10 -0.54 0.00 0.00 174.62 173.13 1jh5 s GLN 3 N -3.99 2.25 0.57 3.99 -0.21 -1.26 -4.96 119.66 116.04 1jh5 s GLN 3 Ca 0.38 -1.56 -0.21 0.00 0.02 0.00 0.00 55.36 53.99 1jh5 s GLN 3 Cb 0.02 -3.49 -0.04 0.00 1.00 0.00 0.00 33.01 30.50 1jh5 s GLN 3 CO 0.21 -0.90 1.32 -0.51 -2.12 0.00 0.00 175.29 173.30 1jh5 s ASP 4 N 1.67 5.15 -0.10 5.90 1.01 -1.26 -4.77 116.67 124.27 1jh5 s ASP 4 Ca 0.03 2.68 -0.25 0.00 0.71 0.00 0.00 52.55 55.72 1jh5 s ASP 4 Cb -0.22 -2.63 0.06 0.00 1.01 0.00 0.00 42.92 41.14 1jh5 s ASP 4 CO -0.02 -1.64 0.59 0.00 0.21 0.00 0.00 175.17 174.30 1jh5 s LEU 6 N -0.76 1.48 0.00 0.00 0.20 -0.84 -0.16 118.68 118.61 1jh5 s LEU 6 Ca -0.08 -0.01 0.04 0.00 0.69 0.00 0.00 54.13 54.77 1jh5 s LEU 6 Cb -0.02 -0.13 -0.01 0.00 -0.43 0.00 0.00 46.19 45.60 1jh5 s LEU 6 CO 0.06 -0.06 -0.13 -1.58 -0.29 0.00 0.00 176.35 174.35 1jh5 s GLN 7 N 0.60 1.05 0.17 1.98 0.74 -0.39 -4.20 119.66 119.61 1jh5 s GLN 7 Ca -0.06 -0.54 0.09 0.00 0.05 0.00 0.00 55.36 54.91 1jh5 s GLN 7 Cb -0.08 -1.02 -0.04 0.00 1.10 0.00 0.00 33.01 32.96 1jh5 s GLN 7 CO -0.01 0.27 -0.14 -0.51 -0.55 0.00 0.00 175.29 174.35 1jh5 s LEU 8 N -0.51 2.81 0.03 3.68 1.02 -0.68 -0.56 118.68 124.47 1jh5 s LEU 8 Ca 0.04 -0.64 0.05 0.00 0.02 0.00 0.00 54.13 53.60 1jh5 s LEU 8 Cb -0.06 -1.53 -0.02 0.00 0.02 0.00 0.00 46.19 44.60 1jh5 s LEU 8 CO -0.00 0.12 -0.15 -0.63 0.02 0.00 0.00 176.35 175.71 1jh5 s ILE 9 N -1.61 1.15 0.23 -0.59 1.01 0.25 -1.82 121.20 119.82 1jh5 s ILE 9 Ca 0.23 -0.91 -0.31 0.00 0.00 0.00 0.00 60.65 59.66 1jh5 s ILE 9 Cb -0.09 -1.01 -0.12 0.00 0.01 0.00 0.00 42.46 41.25 1jh5 s ILE 9 CO 0.13 0.10 1.67 0.00 0.00 0.00 0.00 174.94 176.84 1jh5 s ALA 10 N -0.71 3.87 -0.88 9.38 0.00 -0.96 -0.80 121.76 131.66 1jh5 s ALA 10 Ca 0.03 1.56 -0.18 0.00 0.00 0.00 0.00 51.96 53.37 1jh5 s ALA 10 Cb -0.07 -3.67 0.14 0.00 0.00 0.00 0.00 23.12 19.52 1jh5 s ALA 10 CO 0.01 -0.93 1.03 0.34 0.00 0.00 0.00 175.76 176.21 1jh5 s ASP 11 N 0.97 6.62 0.00 0.00 2.15 0.20 -4.36 116.67 122.25 1jh5 s ASP 11 Ca 0.71 -2.10 0.00 0.00 0.43 0.00 0.00 52.55 51.59 1jh5 s ASP 11 Cb -0.49 -2.36 0.00 0.00 -0.30 0.00 0.00 42.92 39.78 1jh5 s ASP 11 CO 0.37 -0.99 0.12 -1.54 -0.17 0.00 0.00 175.17 172.96 1jh5 n SER 12 N 6.09 0.28 -0.77 -0.34 3.41 -1.16 -2.81 113.62 118.32 1jh5 n SER 12 Ca 0.19 -0.39 0.03 0.00 -0.26 0.00 0.00 58.87 58.45 1jh5 n SER 12 Cb 0.48 -0.10 0.05 0.00 -0.26 0.00 0.00 64.21 64.38 1jh5 n SER 12 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1jh5 n GLU 13 N 0.52 0.35 -3.79 4.33 1.02 -1.26 -5.05 120.64 116.76 1jh5 n GLU 13 Ca 0.00 -1.79 -0.12 0.00 -0.02 0.00 0.00 57.16 55.22 1jh5 n GLU 13 Cb 0.06 -0.60 -0.09 0.00 -0.02 0.00 0.00 31.44 30.79 1jh5 n GLU 13 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1jh5 s THR 14 N -0.75 0.07 0.51 2.62 -4.23 -1.12 -5.15 115.64 107.58 1jh5 s THR 14 Ca 0.20 -0.57 -0.23 0.00 -1.18 0.00 0.00 61.69 59.91 1jh5 s THR 14 Cb 0.21 -0.62 -0.06 0.00 1.34 0.00 0.00 72.50 73.37 1jh5 s THR 14 CO -0.06 -0.31 1.34 -2.84 -0.54 0.00 0.00 174.62 172.21 1jh5 s PRO 15 N -1.53 3.36 -0.19 3.99 0.02 -1.26 -4.88 135.00 134.52 1jh5 s PRO 15 Ca -0.13 2.20 -0.29 0.00 0.02 0.00 0.00 61.00 62.80 1jh5 s PRO 15 Cb -0.05 -2.37 -0.03 0.00 0.02 0.00 0.00 34.50 32.07 1jh5 s PRO 15 CO 0.03 -1.00 1.51 0.95 -0.33 0.00 0.00 177.00 178.15 1jh5 s THR 16 N -1.32 3.85 0.15 0.99 -4.23 -1.26 -4.71 115.64 109.11 1jh5 s THR 16 Ca 0.68 0.99 -0.34 0.00 -1.18 0.00 0.00 61.69 61.84 1jh5 s THR 16 Cb -0.39 -3.78 -0.15 0.00 1.34 0.00 0.00 72.50 69.52 1jh5 s THR 16 CO 0.47 -0.24 1.41 -0.38 -0.54 0.00 0.00 174.62 175.35 1jh5 n ILE 17 N 5.98 0.27 -4.78 2.99 5.41 -0.57 -4.74 119.36 123.92 1jh5 n ILE 17 Ca 0.17 -0.07 -0.33 0.00 1.00 0.00 0.00 62.75 63.52 1jh5 n ILE 17 Cb 0.45 -1.19 -0.13 0.00 -0.71 0.00 0.00 39.64 38.06 1jh5 n ILE 17 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 1jh5 s GLN 18 N 0.38 3.05 -0.29 0.38 2.00 -1.26 -0.27 119.66 123.65 1jh5 s GLN 18 Ca 0.78 -0.67 -0.17 0.00 -2.00 0.00 0.00 55.36 53.30 1jh5 s GLN 18 Cb -0.79 -2.56 0.16 0.00 0.80 0.00 0.00 33.01 30.62 1jh5 s GLN 18 CO 0.45 0.40 1.07 0.21 -0.50 0.00 0.00 175.29 176.91 1jh5 s LYS 19 N -0.12 0.30 -1.48 1.67 2.20 -0.88 -4.96 119.74 116.47 1jh5 s LYS 19 Ca -0.01 0.49 -0.11 0.00 -0.36 0.00 0.00 55.97 55.98 1jh5 s LYS 19 Cb -0.14 0.07 0.07 0.00 -1.51 0.00 0.00 37.83 36.32 1jh5 s LYS 19 CO 0.03 -0.06 0.94 0.41 -0.36 0.00 0.00 175.35 176.32 1jh5 n GLY 20 N 3.34 -0.46 4.04 5.54 0.00 -1.26 -1.29 105.19 115.09 1jh5 n GLY 20 Ca -0.17 0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 1jh5 n GLY 20 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jh5 n SER 21 N -2.89 -4.16 -4.17 1.61 3.41 -1.26 -4.97 113.62 101.19 1jh5 n SER 21 Ca -0.02 -0.87 -0.20 0.00 -0.26 0.00 0.00 58.87 57.52 1jh5 n SER 21 Cb 0.56 -3.35 -0.13 0.00 -0.26 0.00 0.00 64.21 61.02 1jh5 n SER 21 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1jh5 s TYR 22 N -3.27 1.31 -0.15 7.33 1.51 -0.41 -3.62 117.35 120.04 1jh5 s TYR 22 Ca 0.70 -0.39 -0.04 0.00 -1.01 0.00 0.00 57.07 56.32 1jh5 s TYR 22 Cb -0.37 -0.76 -0.03 0.00 -0.11 0.00 0.00 41.96 40.70 1jh5 s TYR 22 CO 0.86 0.06 -0.02 0.99 -1.11 0.00 0.00 175.55 176.33 1jh5 s THR 23 N -1.01 4.06 -0.15 -0.71 2.01 0.52 -2.06 115.64 118.29 1jh5 s THR 23 Ca 0.01 -0.30 0.01 0.00 0.31 0.00 0.00 61.69 61.72 1jh5 s THR 23 Cb -0.09 -2.78 0.00 0.00 0.01 0.00 0.00 72.50 69.65 1jh5 s THR 23 CO 0.02 0.50 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.91 1jh5 s PHE 24 N 0.26 2.74 0.21 4.92 0.40 0.63 -1.30 117.98 125.85 1jh5 s PHE 24 Ca -0.02 -1.18 -0.30 0.00 -0.60 0.00 0.00 56.93 54.83 1jh5 s PHE 24 Cb -0.14 -1.87 -0.10 0.00 0.51 0.00 0.00 43.02 41.43 1jh5 s PHE 24 CO 0.02 -0.54 1.45 0.08 0.70 0.00 0.00 175.22 176.93 1jh5 s VAL 25 N 0.85 2.75 -0.42 -0.44 1.01 -1.26 -1.52 120.40 121.37 1jh5 s VAL 25 Ca -0.05 0.60 -0.29 0.00 0.00 0.00 0.00 61.98 62.24 1jh5 s VAL 25 Cb -0.15 -3.38 0.02 0.00 0.00 0.00 0.00 36.38 32.86 1jh5 s VAL 25 CO -0.01 0.08 1.29 -2.84 0.00 0.00 0.00 175.10 173.61 1jh5 s PRO 26 N 0.12 3.68 0.60 2.72 0.02 -1.26 -4.88 135.00 136.00 1jh5 s PRO 26 Ca 0.62 0.83 -0.07 0.00 0.02 0.00 0.00 61.00 62.40 1jh5 s PRO 26 Cb -0.41 -3.96 0.00 0.00 0.02 0.00 0.00 34.50 30.15 1jh5 s PRO 26 CO 0.39 -1.43 0.93 -1.58 -0.33 0.00 0.00 177.00 174.98 1jh5 s TRP 27 N 4.89 3.31 -0.16 6.54 0.23 -1.26 0.60 118.94 133.09 1jh5 s TRP 27 Ca 0.55 0.76 -0.08 0.00 -2.03 0.00 0.00 56.10 55.30 1jh5 s TRP 27 Cb -0.11 -2.75 0.06 0.00 0.03 0.00 0.00 33.47 30.70 1jh5 s TRP 27 CO 0.31 -0.82 0.38 -1.17 0.96 0.00 0.00 176.95 176.60 1jh5 s LEU 28 N -5.03 -0.07 0.04 2.99 2.96 0.02 -4.58 118.68 115.01 1jh5 s LEU 28 Ca 0.54 0.83 -0.34 0.00 -0.22 0.00 0.00 54.13 54.93 1jh5 s LEU 28 Cb -0.11 1.21 -0.13 0.00 0.50 0.00 0.00 46.19 47.67 1jh5 s LEU 28 CO 0.47 -0.19 1.70 -0.11 -1.32 0.00 0.00 176.35 176.89 1jh5 n LEU 29 N 4.42 3.18 -0.08 -0.68 7.94 -1.26 -0.58 117.00 129.93 1jh5 n LEU 29 Ca -0.21 1.04 -0.13 0.00 -1.11 0.00 0.00 56.01 55.59 1jh5 n LEU 29 Cb 0.54 -1.39 -0.07 0.00 0.53 0.00 0.00 43.42 43.03 1jh5 n LEU 29 CO 0.08 -0.22 -0.32 -1.28 -1.11 0.00 0.00 177.39 174.54 1jh5 h SER 30 N 7.30 0.00 -4.38 1.96 0.87 -1.13 -3.45 113.55 114.72 1jh5 h SER 30 Ca -0.47 -0.33 0.08 0.00 -1.23 0.00 0.00 61.79 59.84 1jh5 h SER 30 Cb 1.27 0.00 -0.20 0.00 -0.44 0.00 0.00 62.40 63.03 1jh5 h SER 30 CO 0.91 1.09 0.50 0.72 -0.53 0.00 0.00 176.83 179.53 1jh5 s PHE 31 N -2.23 -0.38 -0.05 2.24 -0.12 -1.12 -5.01 117.98 111.32 1jh5 s PHE 31 Ca -0.20 0.52 0.00 0.00 -0.05 0.00 0.00 56.93 57.20 1jh5 s PHE 31 Cb 0.03 0.48 0.02 0.00 -0.63 0.00 0.00 43.02 42.92 1jh5 s PHE 31 CO 0.42 -0.43 -0.02 0.21 -0.05 0.00 0.00 175.22 175.35 1jh5 s LYS 32 N -1.83 0.62 -0.11 1.99 2.20 -1.26 -1.26 119.74 120.09 1jh5 s LYS 32 Ca -0.00 0.01 0.01 0.00 -0.36 0.00 0.00 55.97 55.63 1jh5 s LYS 32 Cb -0.01 -0.79 0.02 0.00 -1.51 0.00 0.00 37.83 35.55 1jh5 s LYS 32 CO -0.01 -0.16 -0.10 0.50 -0.36 0.00 0.00 175.35 175.21 1jh5 s ARG 33 N 1.28 1.74 0.45 4.03 3.52 0.78 -5.01 118.95 125.73 1jh5 s ARG 33 Ca -0.06 -0.36 0.00 0.00 -0.13 0.00 0.00 55.73 55.18 1jh5 s ARG 33 Cb -0.13 -1.65 0.00 0.00 -1.56 0.00 0.00 34.95 31.61 1jh5 s ARG 33 CO -0.02 -0.18 0.00 0.41 -0.81 0.00 0.00 175.30 174.70 1jh5 n GLY 34 N 4.59 -1.80 0.00 8.12 0.00 -1.26 -0.82 105.19 114.02 1jh5 n GLY 34 Ca -0.16 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.02 1jh5 n GLY 34 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jh5 n SER 35 N 0.14 4.77 0.23 1.61 3.41 -1.26 -4.76 113.62 117.76 1jh5 n SER 35 Ca 0.00 0.00 0.16 0.00 -0.26 0.00 0.00 58.87 58.77 1jh5 n SER 35 Cb 0.00 1.02 0.82 0.00 -0.26 0.00 0.00 64.21 65.78 1jh5 n SER 35 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jh5 h ALA 36 N 0.09 1.00 -3.38 7.33 0.00 -1.91 -3.43 119.26 118.96 1jh5 h ALA 36 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.61 1jh5 h ALA 36 Cb 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 17.66 1jh5 h ALA 36 CO 0.00 0.00 -0.74 -0.51 0.00 0.00 0.00 179.25 178.00 1jh5 s LEU 37 N -5.16 2.19 0.14 0.00 1.43 -1.26 -0.26 118.68 115.76 1jh5 s LEU 37 Ca -0.03 -0.44 -0.08 0.00 -1.03 0.00 0.00 54.13 52.56 1jh5 s LEU 37 Cb 0.09 -0.22 -0.01 0.00 0.03 0.00 0.00 46.19 46.07 1jh5 s LEU 37 CO 0.30 -0.12 0.22 -1.61 0.23 0.00 0.00 176.35 175.37 1jh5 s GLU 38 N -1.22 1.04 0.13 1.70 2.02 -0.66 -4.93 118.70 116.79 1jh5 s GLU 38 Ca -0.06 -1.17 -0.10 0.00 0.02 0.00 0.00 54.97 53.66 1jh5 s GLU 38 Cb -0.08 0.35 -0.06 0.00 0.10 0.00 0.00 34.13 34.43 1jh5 s GLU 38 CO 0.00 -0.36 0.46 -1.21 0.02 0.00 0.00 175.26 174.18 1jh5 s GLU 39 N -3.95 3.81 -0.29 1.61 2.02 -1.26 0.14 118.70 120.76 1jh5 s GLU 39 Ca 0.15 0.25 0.02 0.00 0.02 0.00 0.00 54.97 55.41 1jh5 s GLU 39 Cb 0.04 -2.90 0.19 0.00 0.10 0.00 0.00 34.13 31.57 1jh5 s GLU 39 CO -0.02 0.49 0.63 0.21 0.02 0.00 0.00 175.26 176.58 1jh5 s LYS 40 N -2.16 0.54 -1.15 1.61 2.20 0.45 -4.81 119.74 116.41 1jh5 s LYS 40 Ca 0.38 0.71 -0.21 0.00 -0.36 0.00 0.00 55.97 56.48 1jh5 s LYS 40 Cb -0.14 0.36 -0.01 0.00 -1.51 0.00 0.00 37.83 36.54 1jh5 s LYS 40 CO 0.20 -0.83 0.78 0.39 -0.36 0.00 0.00 175.35 175.53 1jh5 n GLU 41 N 5.41 -1.24 -1.57 4.03 1.02 -1.26 -1.46 120.64 125.57 1jh5 n GLU 41 Ca 0.02 0.43 -0.19 0.00 -0.02 0.00 0.00 57.16 57.40 1jh5 n GLU 41 Cb 0.53 -4.03 -0.08 0.00 -0.02 0.00 0.00 31.44 27.84 1jh5 n GLU 41 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1jh5 n ASN 42 N -2.65 -5.30 -4.23 1.62 4.05 -1.26 -4.97 115.26 102.53 1jh5 n ASN 42 Ca -0.10 0.46 -0.13 0.00 0.45 0.00 0.00 54.58 55.26 1jh5 n ASN 42 Cb 0.59 -4.47 -0.10 0.00 1.23 0.00 0.00 39.78 37.03 1jh5 n ASN 42 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1jh5 s LYS 43 N -3.64 1.02 -0.23 1.20 1.02 -0.54 -4.85 119.74 113.72 1jh5 s LYS 43 Ca 0.00 -1.45 -0.13 0.00 0.02 0.00 0.00 55.97 54.42 1jh5 s LYS 43 Cb 0.00 -0.41 -0.05 0.00 -0.52 0.00 0.00 37.83 36.86 1jh5 s LYS 43 CO 0.00 -0.01 0.25 0.42 -0.92 0.00 0.00 175.35 175.09 1jh5 s ILE 44 N -3.50 5.29 -0.19 2.17 1.01 -0.30 -0.41 121.20 125.25 1jh5 s ILE 44 Ca 0.17 0.38 -0.12 0.00 0.00 0.00 0.00 60.65 61.09 1jh5 s ILE 44 Cb 0.04 -3.59 -0.05 0.00 0.01 0.00 0.00 42.46 38.88 1jh5 s ILE 44 CO 0.00 0.29 0.20 -0.22 0.00 0.00 0.00 174.94 175.21 1jh5 s LEU 45 N 1.28 4.20 -0.25 2.97 2.96 0.12 -0.32 118.68 129.64 1jh5 s LEU 45 Ca 0.12 0.31 -0.24 0.00 -0.22 0.00 0.00 54.13 54.10 1jh5 s LEU 45 Cb -0.14 -2.20 -0.01 0.00 0.50 0.00 0.00 46.19 44.34 1jh5 s LEU 45 CO 0.07 0.13 0.82 -0.69 -1.32 0.00 0.00 176.35 175.35 1jh5 s VAL 46 N 0.53 4.84 -1.14 1.68 1.01 -0.14 -1.65 120.40 125.54 1jh5 s VAL 46 Ca 0.11 1.51 0.20 0.00 0.00 0.00 0.00 61.98 63.80 1jh5 s VAL 46 Cb -0.12 -4.11 -0.17 0.00 0.00 0.00 0.00 36.38 31.98 1jh5 s VAL 46 CO 0.01 -0.09 0.87 0.29 0.00 0.00 0.00 175.10 176.19 1jh5 n LYS 47 N 6.02 0.72 -3.70 2.72 4.76 0.64 -0.31 118.16 129.00 1jh5 n LYS 47 Ca 0.05 -0.21 -0.14 0.00 -2.87 0.00 0.00 58.31 55.15 1jh5 n LYS 47 Cb 0.48 -1.42 -0.14 0.00 -1.84 0.00 0.00 35.03 32.11 1jh5 n LYS 47 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1jh5 s GLU 48 N -2.73 0.15 0.53 1.97 2.02 -1.24 -4.79 118.70 114.62 1jh5 s GLU 48 Ca 0.10 0.58 -0.20 0.00 0.02 0.00 0.00 54.97 55.46 1jh5 s GLU 48 Cb 0.15 -0.13 -0.06 0.00 0.10 0.00 0.00 34.13 34.19 1jh5 s GLU 48 CO 0.74 -0.22 1.13 0.95 0.02 0.00 0.00 175.26 177.89 1jh5 s THR 49 N 1.74 3.16 -3.94 3.63 -4.23 -1.26 -4.57 115.64 110.16 1jh5 s THR 49 Ca -0.04 0.74 0.00 0.00 -1.18 0.00 0.00 61.69 61.20 1jh5 s THR 49 Cb -0.11 -3.31 0.00 0.00 1.34 0.00 0.00 72.50 70.42 1jh5 s THR 49 CO -0.08 -0.14 0.00 0.61 -0.54 0.00 0.00 174.62 174.48 1jh5 n GLY 50 N 0.20 -0.93 3.67 3.99 0.00 -0.09 -4.94 105.19 107.10 1jh5 n GLY 50 Ca 0.11 -1.07 -0.35 0.00 0.00 0.00 0.00 46.02 44.70 1jh5 n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jh5 s TYR 51 N -3.00 3.33 0.08 1.61 1.51 -1.26 -1.13 117.35 118.49 1jh5 s TYR 51 Ca 0.00 0.20 0.08 0.00 -1.01 0.00 0.00 57.07 56.34 1jh5 s TYR 51 Cb 0.00 -2.17 -0.03 0.00 -0.11 0.00 0.00 41.96 39.65 1jh5 s TYR 51 CO 0.00 0.16 -0.21 -0.06 -1.11 0.00 0.00 175.55 174.34 1jh5 s PHE 52 N 0.60 1.79 -0.24 2.71 0.40 -0.41 -0.86 117.98 121.97 1jh5 s PHE 52 Ca 0.06 -0.40 -0.12 0.00 -0.60 0.00 0.00 56.93 55.87 1jh5 s PHE 52 Cb -0.12 -1.01 -0.05 0.00 0.51 0.00 0.00 43.02 42.35 1jh5 s PHE 52 CO 0.01 0.17 0.23 0.12 0.70 0.00 0.00 175.22 176.45 1jh5 s PHE 53 N -1.05 3.30 -0.09 0.36 5.36 0.55 -1.35 117.98 125.06 1jh5 s PHE 53 Ca 0.07 0.29 0.04 0.00 -0.96 0.00 0.00 56.93 56.37 1jh5 s PHE 53 Cb -0.10 -2.37 -0.00 0.00 -0.34 0.00 0.00 43.02 40.22 1jh5 s PHE 53 CO 0.03 -0.02 -0.23 0.42 -1.46 0.00 0.00 175.22 173.96 1jh5 s ILE 54 N 1.35 1.97 0.29 3.12 1.01 0.75 -0.49 121.20 129.20 1jh5 s ILE 54 Ca 0.10 -0.98 0.02 0.00 0.00 0.00 0.00 60.65 59.79 1jh5 s ILE 54 Cb -0.14 -1.70 -0.05 0.00 0.01 0.00 0.00 42.46 40.57 1jh5 s ILE 54 CO 0.07 0.54 0.09 -0.72 0.00 0.00 0.00 174.94 174.93 1jh5 s TYR 55 N 0.25 1.68 0.00 3.97 -0.85 -1.26 -1.03 117.35 120.11 1jh5 s TYR 55 Ca -0.15 -1.15 0.00 0.00 -0.52 0.00 0.00 57.07 55.25 1jh5 s TYR 55 Cb -0.17 -1.02 0.00 0.00 0.38 0.00 0.00 41.96 41.16 1jh5 s TYR 55 CO 0.07 -0.26 0.00 0.41 -1.52 0.00 0.00 175.55 174.26 1jh5 n GLY 56 N -0.56 1.49 3.08 5.49 0.00 -0.88 0.18 105.19 113.99 1jh5 n GLY 56 Ca -0.01 0.08 -0.16 0.00 0.00 0.00 0.00 46.02 45.93 1jh5 n GLY 56 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1jh5 s GLN 57 N -0.94 0.65 0.00 1.61 0.74 -0.49 -2.24 119.66 118.99 1jh5 s GLN 57 Ca 0.00 -0.69 0.00 0.00 0.05 0.00 0.00 55.36 54.72 1jh5 s GLN 57 Cb 0.00 -0.54 -0.00 0.00 1.10 0.00 0.00 33.01 33.57 1jh5 s GLN 57 CO 0.00 0.12 -0.00 0.08 -0.55 0.00 0.00 175.29 174.94 1jh5 s VAL 58 N -1.04 0.01 -0.35 1.34 1.01 -1.07 -1.17 120.40 119.13 1jh5 s VAL 58 Ca -0.04 -0.06 -0.12 0.00 0.00 0.00 0.00 61.98 61.76 1jh5 s VAL 58 Cb -0.08 -0.03 -0.00 0.00 0.00 0.00 0.00 36.38 36.27 1jh5 s VAL 58 CO 0.01 -0.03 0.23 -0.22 0.00 0.00 0.00 175.10 175.09 1jh5 s LEU 59 N -0.09 4.57 -0.17 3.92 0.20 -1.25 -0.64 118.68 125.22 1jh5 s LEU 59 Ca -0.01 -0.60 -0.18 0.00 0.69 0.00 0.00 54.13 54.03 1jh5 s LEU 59 Cb -0.01 -2.10 -0.04 0.00 -0.43 0.00 0.00 46.19 43.62 1jh5 s LEU 59 CO -0.00 -0.29 0.50 -0.31 -0.29 0.00 0.00 176.35 175.97 1jh5 s TYR 60 N 1.67 3.42 -0.07 5.38 1.51 -1.26 -1.86 117.35 126.14 1jh5 s TYR 60 Ca 0.05 0.81 0.10 0.00 -1.01 0.00 0.00 57.07 57.02 1jh5 s TYR 60 Cb -0.18 -2.63 0.15 0.00 -0.11 0.00 0.00 41.96 39.20 1jh5 s TYR 60 CO 0.09 -0.01 1.08 0.25 -1.11 0.00 0.00 175.55 175.86 1jh5 n THR 61 N 4.24 1.46 -3.14 -0.71 -2.24 0.23 -1.56 114.28 112.55 1jh5 n THR 61 Ca -0.06 -1.65 -0.33 0.00 -2.27 0.00 0.00 64.05 59.75 1jh5 n THR 61 Cb 0.51 0.12 -0.06 0.00 -2.10 0.00 0.00 70.33 68.80 1jh5 n THR 61 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1jh5 s ASP 62 N -1.96 6.80 -0.23 3.42 3.68 -0.76 -4.59 116.67 123.03 1jh5 s ASP 62 Ca 0.17 1.28 0.14 0.00 2.13 0.00 0.00 52.55 56.27 1jh5 s ASP 62 Cb 0.15 -2.37 0.59 0.00 -1.45 0.00 0.00 42.92 39.83 1jh5 s ASP 62 CO 0.02 -0.17 1.53 2.29 0.13 0.00 0.00 175.17 178.96 1jh5 n LYS 63 N -0.23 3.02 -1.56 4.34 2.85 -1.26 -4.73 118.16 120.59 1jh5 n LYS 63 Ca 0.03 -2.97 -0.39 0.00 -1.05 0.00 0.00 58.31 53.92 1jh5 n LYS 63 Cb 0.53 -1.94 -0.02 0.00 -0.65 0.00 0.00 35.03 32.95 1jh5 n LYS 63 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1jh5 n THR 64 N -0.48 4.62 0.00 0.58 -2.24 -1.26 -4.74 114.28 110.77 1jh5 n THR 64 Ca 0.28 -3.20 0.00 0.00 -2.27 0.00 0.00 64.05 58.86 1jh5 n THR 64 Cb 1.03 -2.43 0.00 0.00 -2.10 0.00 0.00 70.33 66.83 1jh5 n THR 64 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jh5 n TYR 65 N 3.00 0.00 -3.49 4.78 0.18 -1.26 -4.56 117.16 115.81 1jh5 n TYR 65 Ca 0.73 0.00 0.01 0.00 1.88 0.00 0.00 57.90 60.51 1jh5 n TYR 65 Cb 0.24 -0.09 -0.03 0.00 -0.38 0.00 0.00 39.34 39.08 1jh5 n TYR 65 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1jh5 s ALA 66 N 0.00 -2.25 0.38 -3.48 0.00 -1.26 -1.20 121.76 113.95 1jh5 s ALA 66 Ca 0.00 2.17 0.08 0.00 0.00 0.00 0.00 51.96 54.21 1jh5 s ALA 66 Cb 0.00 -1.93 -0.07 0.00 0.00 0.00 0.00 23.12 21.12 1jh5 s ALA 66 CO 0.00 -1.03 -0.03 -1.64 0.00 0.00 0.00 175.76 173.06 1jh5 s MET 67 N 2.82 1.88 0.00 0.00 -1.94 -0.23 -4.92 119.30 116.91 1jh5 s MET 67 Ca -0.00 -2.03 0.00 0.00 -1.71 0.00 0.00 55.69 51.95 1jh5 s MET 67 Cb -0.12 -1.60 0.00 0.00 2.01 0.00 0.00 34.83 35.13 1jh5 s MET 67 CO -0.19 0.01 0.00 0.41 -0.01 0.00 0.00 175.02 175.24 1jh5 n GLY 68 N -0.88 1.25 3.27 -0.03 0.00 -1.26 0.08 105.19 107.62 1jh5 n GLY 68 Ca -0.05 -0.97 -0.15 0.00 0.00 0.00 0.00 46.02 44.85 1jh5 n GLY 68 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1jh5 s HIS 69 N -2.00 1.35 0.03 1.61 -3.43 -1.10 -4.20 115.29 107.55 1jh5 s HIS 69 Ca 0.00 -1.13 0.07 0.00 -0.80 0.00 0.00 55.06 53.20 1jh5 s HIS 69 Cb 0.00 -0.77 -0.02 0.00 -1.43 0.00 0.00 32.58 30.35 1jh5 s HIS 69 CO 0.00 -0.32 -0.21 -0.51 -2.00 0.00 0.00 174.74 171.71 1jh5 s LEU 70 N -3.23 2.15 -0.34 5.38 1.43 0.12 -1.74 118.68 122.45 1jh5 s LEU 70 Ca 0.32 -0.50 -0.06 0.00 -1.03 0.00 0.00 54.13 52.86 1jh5 s LEU 70 Cb 0.07 -0.98 0.04 0.00 0.03 0.00 0.00 46.19 45.35 1jh5 s LEU 70 CO 0.09 0.17 0.10 -0.63 0.23 0.00 0.00 176.35 176.32 1jh5 s ILE 71 N -0.75 3.75 0.22 -0.59 1.01 -1.21 -0.68 121.20 122.95 1jh5 s ILE 71 Ca 0.07 -1.15 0.08 0.00 0.00 0.00 0.00 60.65 59.65 1jh5 s ILE 71 Cb -0.09 -3.13 -0.04 0.00 0.01 0.00 0.00 42.46 39.22 1jh5 s ILE 71 CO 0.01 -0.18 0.05 -1.10 0.00 0.00 0.00 174.94 173.73 1jh5 s GLN 72 N 1.40 2.52 -0.07 2.79 -0.21 0.40 -0.79 119.66 125.70 1jh5 s GLN 72 Ca -0.02 -1.17 0.05 0.00 0.02 0.00 0.00 55.36 54.24 1jh5 s GLN 72 Cb -0.20 -2.37 -0.00 0.00 1.00 0.00 0.00 33.01 31.44 1jh5 s GLN 72 CO 0.03 0.42 -0.22 0.50 -2.12 0.00 0.00 175.29 173.90 1jh5 s ARG 73 N -3.36 2.49 -0.46 2.91 3.52 0.16 -1.66 118.95 122.55 1jh5 s ARG 73 Ca 0.30 -0.78 -0.09 0.00 -0.13 0.00 0.00 55.73 55.03 1jh5 s ARG 73 Cb -0.08 -2.01 0.11 0.00 -1.56 0.00 0.00 34.95 31.41 1jh5 s ARG 73 CO 0.21 0.24 0.33 0.15 -0.81 0.00 0.00 175.30 175.42 1jh5 s LYS 74 N 0.15 2.48 0.32 5.12 1.02 -0.19 -1.02 119.74 127.62 1jh5 s LYS 74 Ca -0.11 -1.73 -0.29 0.00 0.02 0.00 0.00 55.97 53.86 1jh5 s LYS 74 Cb -0.15 -3.90 -0.11 0.00 -0.52 0.00 0.00 37.83 33.15 1jh5 s LYS 74 CO 0.05 -1.16 1.58 1.63 -0.92 0.00 0.00 175.35 176.53 1jh5 n LYS 75 N 4.90 2.73 0.11 1.68 5.02 0.66 -2.91 118.16 130.35 1jh5 n LYS 75 Ca -0.08 0.97 -0.23 0.00 -2.02 0.00 0.00 58.31 56.94 1jh5 n LYS 75 Cb 0.41 -2.74 -0.15 0.00 -0.02 0.00 0.00 35.03 32.53 1jh5 n LYS 75 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1jh5 h VAL 76 N 3.25 1.32 -3.15 -0.18 2.07 -1.88 -3.45 116.25 114.23 1jh5 h VAL 76 Ca -0.48 -2.59 -0.65 0.00 0.82 0.00 0.00 66.70 63.80 1jh5 h VAL 76 Cb 1.23 2.96 -0.10 0.00 -1.52 0.00 0.00 31.29 33.86 1jh5 h VAL 76 CO 0.75 0.77 -0.59 -1.00 0.02 0.00 0.00 177.57 177.52 1jh5 s HIS 77 N -2.70 3.24 0.04 1.57 3.76 -1.26 -5.07 115.29 114.87 1jh5 s HIS 77 Ca -0.10 0.15 0.00 0.00 -0.15 0.00 0.00 55.06 54.96 1jh5 s HIS 77 Cb 0.04 -1.69 0.00 0.00 1.11 0.00 0.00 32.58 32.03 1jh5 s HIS 77 CO 0.92 0.53 0.00 0.28 -0.85 0.00 0.00 174.74 175.63 1jh5 n VAL 78 N 0.94 0.33 -0.53 -0.90 0.31 -1.26 -4.99 118.33 112.23 1jh5 n VAL 78 Ca -0.11 0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1jh5 n VAL 78 Cb 0.52 -1.06 0.00 0.00 -0.91 0.00 0.00 33.84 32.39 1jh5 n VAL 78 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1jh5 n PHE 79 N -2.81 -0.67 -0.17 3.52 3.01 -1.26 -4.61 117.46 114.46 1jh5 n PHE 79 Ca 0.00 0.39 0.00 0.00 1.01 0.00 0.00 57.45 58.85 1jh5 n PHE 79 Cb 0.00 -2.06 0.00 0.00 -0.01 0.00 0.00 39.48 37.41 1jh5 n PHE 79 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1jh5 n GLY 80 N 0.02 2.73 1.99 1.37 0.00 -1.26 -2.25 105.19 107.79 1jh5 n GLY 80 Ca 0.00 -0.05 -0.18 0.00 0.00 0.00 0.00 46.02 45.79 1jh5 n GLY 80 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jh5 n ASP 81 N 1.76 3.69 -4.78 1.61 5.75 -1.26 -4.97 116.55 118.35 1jh5 n ASP 81 Ca 0.00 -3.29 -0.35 0.00 -0.01 0.00 0.00 54.79 51.15 1jh5 n ASP 81 Cb 0.00 -0.77 -0.01 0.00 -1.03 0.00 0.00 41.12 39.31 1jh5 n ASP 81 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1jh5 s GLU 82 N -2.69 3.45 -0.13 0.11 2.02 -0.95 -5.00 118.70 115.51 1jh5 s GLU 82 Ca 0.47 1.53 -0.17 0.00 0.02 0.00 0.00 54.97 56.82 1jh5 s GLU 82 Cb 0.39 -2.03 -0.04 0.00 0.10 0.00 0.00 34.13 32.55 1jh5 s GLU 82 CO 0.09 -0.75 0.41 -0.51 0.02 0.00 0.00 175.26 174.52 1jh5 s LEU 83 N -3.77 4.27 0.00 1.80 1.02 -1.26 -4.93 118.68 115.81 1jh5 s LEU 83 Ca 0.71 0.72 0.26 0.00 0.02 0.00 0.00 54.13 55.84 1jh5 s LEU 83 Cb -0.22 -2.58 1.40 0.00 0.02 0.00 0.00 46.19 44.80 1jh5 s LEU 83 CO 0.26 0.05 1.90 -1.54 0.02 0.00 0.00 176.35 177.04 1jh5 n SER 84 N 3.55 0.00 -4.09 2.29 3.41 -1.26 -4.50 113.62 113.02 1jh5 n SER 84 Ca -0.09 -0.30 -0.33 0.00 -0.26 0.00 0.00 58.87 57.89 1jh5 n SER 84 Cb 0.52 -0.20 -0.14 0.00 -0.26 0.00 0.00 64.21 64.12 1jh5 n SER 84 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1jh5 s LEU 85 N -2.41 4.05 -0.09 1.04 1.98 -1.26 -0.25 118.68 121.75 1jh5 s LEU 85 Ca 0.29 -1.61 -0.00 0.00 -2.89 0.00 0.00 54.13 49.92 1jh5 s LEU 85 Cb 0.18 -1.64 -0.03 0.00 0.66 0.00 0.00 46.19 45.36 1jh5 s LEU 85 CO 0.37 -0.29 -0.05 -0.69 -1.89 0.00 0.00 176.35 173.81 1jh5 s VAL 86 N 1.10 3.88 -0.26 1.68 1.01 -0.19 -4.95 120.40 122.66 1jh5 s VAL 86 Ca -0.02 -0.40 -0.07 0.00 0.00 0.00 0.00 61.98 61.49 1jh5 s VAL 86 Cb -0.20 -2.61 -0.01 0.00 0.00 0.00 0.00 36.38 33.55 1jh5 s VAL 86 CO -0.05 0.59 0.06 0.42 0.00 0.00 0.00 175.10 176.12 1jh5 s THR 87 N -0.65 4.10 0.02 3.92 -4.23 -1.26 0.36 115.64 117.89 1jh5 s THR 87 Ca 0.10 -0.39 -0.05 0.00 -1.18 0.00 0.00 61.69 60.17 1jh5 s THR 87 Cb -0.12 -2.98 -0.05 0.00 1.34 0.00 0.00 72.50 70.70 1jh5 s THR 87 CO 0.02 0.26 0.26 -0.76 -0.54 0.00 0.00 174.62 173.86 1jh5 s LEU 88 N 1.56 4.36 0.00 4.79 1.02 0.03 -4.93 118.68 125.52 1jh5 s LEU 88 Ca 0.05 0.50 0.00 0.00 0.02 0.00 0.00 54.13 54.71 1jh5 s LEU 88 Cb -0.16 -2.75 0.00 0.00 0.02 0.00 0.00 46.19 43.30 1jh5 s LEU 88 CO 0.02 0.23 0.00 0.49 0.02 0.00 0.00 176.35 177.11 1jh5 n PHE 89 N 0.91 0.00 -1.21 0.29 0.99 -1.26 -3.34 117.46 113.84 1jh5 n PHE 89 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.35 1jh5 n PHE 89 Cb 0.52 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.00 1jh5 n PHE 89 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 1jh5 n ARG 90 N 0.00 -3.30 -4.39 -1.08 0.63 -1.26 -4.93 116.66 102.34 1jh5 n ARG 90 Ca 0.00 2.40 -0.19 0.00 -0.92 0.00 0.00 57.85 59.13 1jh5 n ARG 90 Cb 0.00 -2.61 -0.10 0.00 0.45 0.00 0.00 32.46 30.20 1jh5 n ARG 90 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1jh5 s ILE 92 N -3.32 0.15 -0.18 0.00 1.01 -1.26 -2.73 121.20 114.87 1jh5 s ILE 92 Ca 0.32 -1.27 -0.07 0.00 0.00 0.00 0.00 60.65 59.64 1jh5 s ILE 92 Cb 0.07 -0.82 0.08 0.00 0.01 0.00 0.00 42.46 41.80 1jh5 s ILE 92 CO 0.12 -0.70 0.39 -1.10 0.00 0.00 0.00 174.94 173.65 1jh5 s GLN 93 N -2.53 0.29 0.52 2.79 -1.52 0.11 -4.96 119.66 114.36 1jh5 s GLN 93 Ca -0.06 0.96 -0.22 0.00 -1.95 0.00 0.00 55.36 54.09 1jh5 s GLN 93 Cb -0.02 0.24 -0.05 0.00 -0.22 0.00 0.00 33.01 32.96 1jh5 s GLN 93 CO -0.05 -0.25 1.34 -0.80 -0.25 0.00 0.00 175.29 175.28 1jh5 s ASN 94 N 2.51 5.44 0.13 5.90 0.01 -1.26 -1.07 114.94 126.61 1jh5 s ASN 94 Ca -0.02 2.73 0.08 0.00 -0.71 0.00 0.00 52.86 54.94 1jh5 s ASN 94 Cb -0.12 -2.63 -0.04 0.00 0.41 0.00 0.00 41.25 38.87 1jh5 s ASN 94 CO -0.12 -1.45 -0.13 -0.04 -1.51 0.00 0.00 177.10 173.86 1jh5 s MET 95 N -2.83 1.99 0.00 -0.60 -1.94 -0.34 -4.85 119.30 110.73 1jh5 s MET 95 Ca 0.69 -1.15 0.00 0.00 -1.71 0.00 0.00 55.69 53.52 1jh5 s MET 95 Cb -0.39 -2.19 0.00 0.00 2.01 0.00 0.00 34.83 34.25 1jh5 s MET 95 CO 0.47 0.47 0.00 -2.30 -0.01 0.00 0.00 175.02 173.66 1jh5 n PRO 96 N 0.52 -0.06 -0.01 2.03 -0.02 -1.26 -4.27 135.00 131.93 1jh5 n PRO 96 Ca -0.13 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.37 1jh5 n PRO 96 Cb 0.53 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.96 1jh5 n PRO 96 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1jh5 n GLU 97 N -1.02 0.87 0.00 -0.52 2.13 -1.26 -4.55 120.64 116.29 1jh5 n GLU 97 Ca 0.00 -0.05 0.00 0.00 0.66 0.00 0.00 57.16 57.77 1jh5 n GLU 97 Cb 0.00 -1.15 0.00 0.00 0.27 0.00 0.00 31.44 30.56 1jh5 n GLU 97 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1jh5 n THR 98 N -1.84 0.00 -3.44 6.31 -2.24 -1.26 -4.85 114.28 106.96 1jh5 n THR 98 Ca -0.03 0.38 -0.30 0.00 -2.27 0.00 0.00 64.05 61.83 1jh5 n THR 98 Cb 0.29 -1.30 -0.07 0.00 -2.10 0.00 0.00 70.33 67.15 1jh5 n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1jh5 n LEU 99 N -2.05 4.10 -4.68 3.22 4.77 -1.26 -5.06 117.00 116.04 1jh5 n LEU 99 Ca 0.00 -5.36 -0.59 0.00 -0.03 0.00 0.00 56.01 50.03 1jh5 n LEU 99 Cb 0.00 -0.80 -0.08 0.00 -2.33 0.00 0.00 43.42 40.21 1jh5 n LEU 99 CO 0.00 1.93 1.12 -2.65 -1.33 0.00 0.00 177.39 176.46 1jh5 n PRO 100 N 1.17 0.76 -2.80 3.23 -0.02 -1.26 -4.92 135.00 131.15 1jh5 n PRO 100 Ca 0.27 0.28 -0.03 0.00 -2.02 0.00 0.00 63.50 62.00 1jh5 n PRO 100 Cb 0.39 -1.89 0.01 0.00 -0.02 0.00 0.00 33.50 31.99 1jh5 n PRO 100 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 1jh5 s ASN 101 N 2.46 -1.07 -0.07 2.55 0.01 -1.16 -4.42 114.94 113.23 1jh5 s ASN 101 Ca 0.97 -1.11 -0.03 0.00 -0.71 0.00 0.00 52.86 51.98 1jh5 s ASN 101 Cb -1.17 1.40 -0.03 0.00 0.41 0.00 0.00 41.25 41.85 1jh5 s ASN 101 CO 0.65 -0.06 -0.08 0.59 -1.51 0.00 0.00 177.10 176.69 1jh5 n ASN 102 N 3.13 1.21 -1.85 -1.22 3.02 -0.60 -4.97 115.26 113.97 1jh5 n ASN 102 Ca 0.14 0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.75 1jh5 n ASN 102 Cb 0.59 -0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.58 1jh5 n ASN 102 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1jh5 n SER 103 N -3.17 -9.44 -3.71 6.41 2.88 -1.22 -4.81 113.62 100.56 1jh5 n SER 103 Ca -0.13 1.34 -0.12 0.00 -1.33 0.00 0.00 58.87 58.62 1jh5 n SER 103 Cb 0.61 -5.02 -0.13 0.00 -0.75 0.00 0.00 64.21 58.91 1jh5 n SER 103 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jh5 s TYR 105 N 1.55 3.10 -0.18 0.00 5.04 -1.26 -2.60 117.35 123.00 1jh5 s TYR 105 Ca -0.07 0.07 -0.27 0.00 -2.44 0.00 0.00 57.07 54.36 1jh5 s TYR 105 Cb -0.11 -1.64 0.07 0.00 0.35 0.00 0.00 41.96 40.64 1jh5 s TYR 105 CO -0.09 0.49 0.69 0.45 -1.34 0.00 0.00 175.55 175.75 1jh5 s SER 106 N -1.90 -0.70 0.19 4.32 0.15 -0.95 -5.01 113.70 109.80 1jh5 s SER 106 Ca 0.23 1.13 -0.17 0.00 0.70 0.00 0.00 55.95 57.85 1jh5 s SER 106 Cb -0.12 1.07 0.02 0.00 -1.71 0.00 0.00 66.02 65.29 1jh5 s SER 106 CO 0.15 -0.39 0.50 0.00 1.20 0.00 0.00 173.24 174.69 1jh5 s ALA 107 N -0.27 -0.82 0.09 5.45 0.00 -1.26 -2.07 121.76 122.88 1jh5 s ALA 107 Ca -0.05 -0.31 -0.25 0.00 0.00 0.00 0.00 51.96 51.35 1jh5 s ALA 107 Cb -0.03 0.86 0.09 0.00 0.00 0.00 0.00 23.12 24.03 1jh5 s ALA 107 CO 0.05 -0.79 1.16 0.20 0.00 0.00 0.00 175.76 176.37 1jh5 s GLY 108 N -2.89 0.02 -0.04 0.00 0.00 -0.20 -4.99 107.32 99.23 1jh5 s GLY 108 Ca 0.10 -0.19 0.03 0.00 0.00 0.00 0.00 44.72 44.66 1jh5 s GLY 108 CO -0.02 4.12 -0.10 -0.42 0.00 0.00 0.00 173.10 176.68 1jh5 s ILE 109 N -2.06 3.41 0.04 0.90 1.01 -1.26 -0.18 121.20 123.06 1jh5 s ILE 109 Ca 0.26 -0.69 -0.13 0.00 0.00 0.00 0.00 60.65 60.10 1jh5 s ILE 109 Cb -0.02 -2.40 0.02 0.00 0.01 0.00 0.00 42.46 40.07 1jh5 s ILE 109 CO 0.03 0.53 0.28 0.00 0.00 0.00 0.00 174.94 175.77 1jh5 s ALA 110 N -0.84 -0.61 -0.12 9.38 0.00 -0.46 -4.99 121.76 124.12 1jh5 s ALA 110 Ca 0.13 -0.03 -0.15 0.00 0.00 0.00 0.00 51.96 51.91 1jh5 s ALA 110 Cb -0.11 0.28 -0.05 0.00 0.00 0.00 0.00 23.12 23.25 1jh5 s ALA 110 CO 0.03 -0.38 0.34 0.21 0.00 0.00 0.00 175.76 175.96 1jh5 s LYS 111 N -2.42 4.18 0.21 0.00 2.20 -1.26 -1.29 119.74 121.36 1jh5 s LYS 111 Ca -0.06 0.21 0.06 0.00 -0.36 0.00 0.00 55.97 55.82 1jh5 s LYS 111 Cb -0.01 -3.38 -0.05 0.00 -1.51 0.00 0.00 37.83 32.87 1jh5 s LYS 111 CO -0.03 0.32 -0.09 -0.51 -0.36 0.00 0.00 175.35 174.68 1jh5 s LEU 112 N 0.18 2.48 0.17 5.43 1.43 -0.28 -4.99 118.68 123.09 1jh5 s LEU 112 Ca 0.20 -1.09 0.07 0.00 -1.03 0.00 0.00 54.13 52.28 1jh5 s LEU 112 Cb -0.14 -0.53 -0.04 0.00 0.03 0.00 0.00 46.19 45.51 1jh5 s LEU 112 CO 0.07 -0.30 -0.14 -1.61 0.23 0.00 0.00 176.35 174.60 1jh5 s GLU 113 N -3.72 1.21 -0.12 1.70 2.02 -1.26 -0.91 118.70 117.60 1jh5 s GLU 113 Ca 0.24 -1.47 -0.40 0.00 0.02 0.00 0.00 54.97 53.35 1jh5 s GLU 113 Cb 0.02 -0.99 -0.18 0.00 0.10 0.00 0.00 34.13 33.08 1jh5 s GLU 113 CO 0.07 0.17 1.42 0.39 0.02 0.00 0.00 175.26 177.33 1jh5 n GLU 114 N -0.10 0.69 0.00 1.61 1.02 -1.26 -0.50 120.64 122.09 1jh5 n GLU 114 Ca -0.10 0.25 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 1jh5 n GLU 114 Cb 0.59 -1.85 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 1jh5 n GLU 114 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jh5 n GLY 115 N 2.95 3.06 3.75 0.62 0.00 0.57 -4.84 105.19 111.31 1jh5 n GLY 115 Ca 0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.91 1jh5 n GLY 115 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jh5 s ASP 116 N -1.13 4.95 -0.00 1.61 1.01 0.34 -4.61 116.67 118.84 1jh5 s ASP 116 Ca 0.00 2.20 0.05 0.00 0.71 0.00 0.00 52.55 55.51 1jh5 s ASP 116 Cb 0.00 -2.57 -0.01 0.00 1.01 0.00 0.00 42.92 41.34 1jh5 s ASP 116 CO 0.00 -1.75 -0.16 -1.61 0.21 0.00 0.00 175.17 171.86 1jh5 s GLU 117 N -3.78 1.25 0.02 8.23 2.02 -1.15 -0.96 118.70 124.33 1jh5 s GLU 117 Ca 0.72 -0.62 0.03 0.00 0.02 0.00 0.00 54.97 55.12 1jh5 s GLU 117 Cb -0.25 -1.23 -0.04 0.00 0.10 0.00 0.00 34.13 32.71 1jh5 s GLU 117 CO 0.39 0.33 -0.04 -0.51 0.02 0.00 0.00 175.26 175.45 1jh5 s LEU 118 N -0.54 3.31 0.03 1.80 1.43 0.56 -1.02 118.68 124.25 1jh5 s LEU 118 Ca 0.06 -0.13 -0.16 0.00 -1.03 0.00 0.00 54.13 52.87 1jh5 s LEU 118 Cb -0.07 -1.94 0.03 0.00 0.03 0.00 0.00 46.19 44.24 1jh5 s LEU 118 CO -0.00 0.26 0.35 0.00 0.23 0.00 0.00 176.35 177.18 1jh5 s GLN 119 N -1.67 0.82 -0.23 1.70 -2.07 -0.66 -1.15 119.66 116.40 1jh5 s GLN 119 Ca 0.20 -0.38 -0.05 0.00 -1.82 0.00 0.00 55.36 53.30 1jh5 s GLN 119 Cb -0.11 0.36 -0.02 0.00 -1.09 0.00 0.00 33.01 32.15 1jh5 s GLN 119 CO 0.11 -0.26 0.00 -1.17 -1.32 0.00 0.00 175.29 172.64 1jh5 s LEU 120 N -1.88 3.13 -0.00 2.60 1.98 -1.26 -0.46 118.68 122.80 1jh5 s LEU 120 Ca -0.07 -0.30 0.05 0.00 -2.89 0.00 0.00 54.13 50.92 1jh5 s LEU 120 Cb -0.02 -1.81 -0.01 0.00 0.66 0.00 0.00 46.19 45.01 1jh5 s LEU 120 CO -0.01 -0.01 -0.16 0.00 -1.89 0.00 0.00 176.35 174.28 1jh5 s ALA 121 N 1.43 1.34 -0.27 5.97 0.00 0.15 -4.47 121.76 125.91 1jh5 s ALA 121 Ca 0.05 -0.73 -0.07 0.00 0.00 0.00 0.00 51.96 51.21 1jh5 s ALA 121 Cb -0.15 -0.32 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 1jh5 s ALA 121 CO -0.00 0.32 0.07 0.42 0.00 0.00 0.00 175.76 176.56 1jh5 s ILE 122 N -0.46 4.08 -0.49 0.00 1.01 -0.42 0.12 121.20 125.04 1jh5 s ILE 122 Ca 0.06 -0.44 -0.05 0.00 0.00 0.00 0.00 60.65 60.22 1jh5 s ILE 122 Cb -0.07 -3.00 -0.10 0.00 0.01 0.00 0.00 42.46 39.31 1jh5 s ILE 122 CO -0.00 0.22 2.19 -2.65 0.00 0.00 0.00 174.94 174.70 1jh5 n PRO 123 N 4.89 1.65 -3.80 2.79 -0.02 -1.26 -0.35 135.00 138.90 1jh5 n PRO 123 Ca -0.16 -1.04 -0.10 0.00 -2.02 0.00 0.00 63.50 60.18 1jh5 n PRO 123 Cb 0.50 -2.14 -0.07 0.00 -0.02 0.00 0.00 33.50 31.76 1jh5 n PRO 123 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1jh5 s ARG 124 N 2.69 0.81 -0.05 -0.52 0.52 -1.24 -4.98 118.95 116.19 1jh5 s ARG 124 Ca 0.39 -0.71 -0.26 0.00 -0.52 0.00 0.00 55.73 54.64 1jh5 s ARG 124 Cb 0.14 0.34 -0.21 0.00 0.52 0.00 0.00 34.95 35.75 1jh5 s ARG 124 CO -0.02 -0.26 1.11 0.93 0.02 0.00 0.00 175.30 177.08 1jh5 h GLU 125 N 3.05 -0.04 -2.04 3.54 5.08 -1.86 -1.36 114.58 120.95 1jh5 h GLU 125 Ca -0.33 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.52 1jh5 h GLU 125 Cb 1.20 0.01 -0.40 0.00 0.50 0.00 0.00 28.75 30.06 1jh5 h GLU 125 CO 0.50 0.53 -1.09 0.09 -1.00 0.00 0.00 179.01 178.04 1jh5 n ASN 126 N -4.83 1.14 -4.58 1.42 4.13 -1.26 -4.51 115.26 106.78 1jh5 n ASN 126 Ca -0.09 -3.01 -0.51 0.00 1.68 0.00 0.00 54.58 52.65 1jh5 n ASN 126 Cb 0.30 -0.62 -0.05 0.00 -1.54 0.00 0.00 39.78 37.86 1jh5 n ASN 126 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1jh5 n ALA 127 N 0.58 -1.13 -2.73 5.41 0.00 -1.26 -4.87 120.51 116.52 1jh5 n ALA 127 Ca 0.25 0.50 -0.42 0.00 0.00 0.00 0.00 53.44 53.77 1jh5 n ALA 127 Cb 0.58 -2.03 -0.03 0.00 0.00 0.00 0.00 19.45 17.97 1jh5 n ALA 127 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1jh5 s GLN 128 N 0.12 3.15 0.25 0.00 -1.52 -1.26 -4.99 119.66 115.41 1jh5 s GLN 128 Ca 0.81 -0.57 0.11 0.00 -1.95 0.00 0.00 55.36 53.76 1jh5 s GLN 128 Cb -0.94 -4.21 -0.05 0.00 -0.22 0.00 0.00 33.01 27.60 1jh5 s GLN 128 CO 0.50 -1.95 -0.20 0.42 -0.25 0.00 0.00 175.29 173.80 1jh5 s ILE 129 N 4.77 2.38 -0.23 1.08 1.09 -1.26 -0.60 121.20 128.43 1jh5 s ILE 129 Ca 0.28 -2.30 -0.09 0.00 -1.10 0.00 0.00 60.65 57.43 1jh5 s ILE 129 Cb -0.13 -2.23 -0.05 0.00 -1.06 0.00 0.00 42.46 38.99 1jh5 s ILE 129 CO 0.12 -0.35 0.13 -0.55 -0.10 0.00 0.00 174.94 174.19 1jh5 s SER 130 N -3.30 5.89 -0.43 3.58 0.15 -0.78 -4.86 113.70 113.96 1jh5 s SER 130 Ca 0.27 0.07 0.02 0.00 0.70 0.00 0.00 55.95 57.01 1jh5 s SER 130 Cb -0.05 -2.05 0.51 0.00 -1.71 0.00 0.00 66.02 62.72 1jh5 s SER 130 CO 0.13 0.08 1.85 0.18 1.20 0.00 0.00 173.24 176.68 1jh5 n LEU 131 N 4.16 6.49 -4.79 3.45 4.32 -1.26 -4.52 117.00 124.84 1jh5 n LEU 131 Ca -0.16 -3.48 -0.38 0.00 -0.02 0.00 0.00 56.01 51.98 1jh5 n LEU 131 Cb 0.52 -0.85 -0.06 0.00 -1.62 0.00 0.00 43.42 41.41 1jh5 n LEU 131 CO 0.35 1.09 0.45 -1.81 -1.22 0.00 0.00 177.39 176.24 1jh5 s ASP 132 N -1.01 7.25 0.49 -1.43 -0.00 -1.26 -2.98 116.67 117.74 1jh5 s ASP 132 Ca 0.50 1.54 0.23 0.00 -0.00 0.00 0.00 52.55 54.83 1jh5 s ASP 132 Cb 0.41 -2.46 1.29 0.00 -0.00 0.00 0.00 42.92 42.16 1jh5 s ASP 132 CO 0.06 0.15 1.94 1.23 -0.00 0.00 0.00 175.17 178.55 1jh5 h GLY 133 N 4.02 0.28 0.42 0.21 0.00 -1.84 -2.39 103.07 103.78 1jh5 h GLY 133 Ca -0.48 -0.07 -0.02 0.00 0.00 0.00 0.00 47.33 46.77 1jh5 h GLY 133 CO 0.65 0.01 -0.18 -0.55 0.00 0.00 0.00 176.54 176.48 1jh5 h ASP 134 N 0.15 -0.42 -0.34 0.19 3.32 -1.96 -3.39 116.42 113.98 1jh5 h ASP 134 Ca 0.35 -0.06 -0.10 0.00 0.02 0.00 0.00 57.03 57.25 1jh5 h ASP 134 Cb 1.15 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.79 1jh5 h ASP 134 CO -0.05 0.02 -0.12 -0.37 -1.72 0.00 0.00 179.24 177.00 1jh5 h VAL 135 N -1.09 1.26 -3.16 -1.35 -1.51 -1.89 -3.43 116.25 105.09 1jh5 h VAL 135 Ca -0.05 -1.19 -0.57 0.00 -1.23 0.00 0.00 66.70 63.66 1jh5 h VAL 135 Cb 0.45 1.06 -0.36 0.00 -2.13 0.00 0.00 31.29 30.32 1jh5 h VAL 135 CO 0.08 0.40 -0.82 0.42 -1.23 0.00 0.00 177.57 176.43 1jh5 s THR 136 N -4.77 1.36 0.15 7.19 -4.23 -0.91 -3.73 115.64 110.70 1jh5 s THR 136 Ca -0.09 -0.51 -0.08 0.00 -1.18 0.00 0.00 61.69 59.83 1jh5 s THR 136 Cb 0.14 -1.31 -0.01 0.00 1.34 0.00 0.00 72.50 72.66 1jh5 s THR 136 CO 0.82 0.42 0.24 0.72 -0.54 0.00 0.00 174.62 176.29 1jh5 s PHE 137 N 1.50 0.45 -0.06 3.99 -0.12 -0.32 -2.26 117.98 121.17 1jh5 s PHE 137 Ca 0.04 -0.83 0.03 0.00 -0.05 0.00 0.00 56.93 56.12 1jh5 s PHE 137 Cb -0.13 -0.13 0.01 0.00 -0.63 0.00 0.00 43.02 42.14 1jh5 s PHE 137 CO -0.09 -0.67 -0.15 0.12 -0.05 0.00 0.00 175.22 174.38 1jh5 s PHE 138 N -3.97 1.63 0.00 3.49 5.36 -0.76 -1.39 117.98 122.34 1jh5 s PHE 138 Ca 0.17 -0.59 0.00 0.00 -0.96 0.00 0.00 56.93 55.56 1jh5 s PHE 138 Cb 0.04 -1.16 0.00 0.00 -0.34 0.00 0.00 43.02 41.57 1jh5 s PHE 138 CO -0.01 -0.27 0.00 0.41 -1.46 0.00 0.00 175.22 173.90 1jh5 n GLY 139 N 3.63 -0.88 0.57 13.12 0.00 0.48 -1.69 105.19 120.43 1jh5 n GLY 139 Ca -0.21 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1jh5 n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jh5 n ALA 140 N -3.00 -1.37 -3.34 4.61 0.00 -1.20 -4.40 120.51 111.81 1jh5 n ALA 140 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1jh5 n ALA 140 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 1jh5 n ALA 140 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1jh5 s LEU 141 N 0.00 1.51 -0.09 0.00 0.20 0.36 -1.98 118.68 118.68 1jh5 s LEU 141 Ca 0.00 0.03 -0.23 0.00 0.69 0.00 0.00 54.13 54.62 1jh5 s LEU 141 Cb 0.00 -0.02 -0.03 0.00 -0.43 0.00 0.00 46.19 45.71 1jh5 s LEU 141 CO 0.00 -0.07 0.71 -0.75 -0.29 0.00 0.00 176.35 175.95 1jh5 s LYS 142 N 0.56 4.39 0.50 1.98 2.20 0.28 -0.33 119.74 129.32 1jh5 s LYS 142 Ca -0.05 0.86 -0.14 0.00 -0.36 0.00 0.00 55.97 56.29 1jh5 s LYS 142 Cb -0.07 -3.48 -0.07 0.00 -1.51 0.00 0.00 37.83 32.71 1jh5 s LYS 142 CO -0.02 -0.02 0.93 -0.51 -0.36 0.00 0.00 175.35 175.37 1jh5 s LEU 143 N 1.09 3.61 0.00 5.43 1.43 -0.04 -4.38 118.68 125.82 1jh5 s LEU 143 Ca 0.37 1.40 0.29 0.00 -1.03 0.00 0.00 54.13 55.16 1jh5 s LEU 143 Cb -0.17 -4.34 1.24 0.00 0.03 0.00 0.00 46.19 42.94 1jh5 s LEU 143 CO 0.16 -0.59 1.85 0.18 0.23 0.00 0.00 176.35 178.19