#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 2.11 -0.36 2.52 -4.23 -1.26 -5.11 115.64 109.31 1jh5 s THR 2 Ca 0.00 -1.63 -0.03 0.00 -1.18 0.00 0.00 61.69 58.85 1jh5 s THR 2 Cb 0.00 -2.74 0.08 0.00 1.34 0.00 0.00 72.50 71.18 1jh5 s THR 2 CO 0.00 0.00 0.13 -1.10 -0.54 0.00 0.00 174.62 173.11 1jh5 s GLN 3 N -4.01 2.23 0.54 3.99 -0.21 -1.26 -4.96 119.66 115.98 1jh5 s GLN 3 Ca 0.37 -1.55 -0.22 0.00 0.02 0.00 0.00 55.36 53.99 1jh5 s GLN 3 Cb 0.01 -3.44 -0.05 0.00 1.00 0.00 0.00 33.01 30.54 1jh5 s GLN 3 CO 0.21 -0.87 1.32 -0.51 -2.12 0.00 0.00 175.29 173.33 1jh5 s ASP 4 N 1.59 5.35 -0.09 5.90 1.01 -1.26 -4.77 116.67 124.39 1jh5 s ASP 4 Ca 0.02 2.68 -0.23 0.00 0.71 0.00 0.00 52.55 55.74 1jh5 s ASP 4 Cb -0.21 -2.63 0.05 0.00 1.01 0.00 0.00 42.92 41.14 1jh5 s ASP 4 CO -0.02 -1.51 0.54 0.00 0.21 0.00 0.00 175.17 174.39 1jh5 s LEU 6 N -0.78 1.51 -0.00 0.00 0.20 -0.86 -0.14 118.68 118.61 1jh5 s LEU 6 Ca -0.08 -0.03 0.04 0.00 0.69 0.00 0.00 54.13 54.75 1jh5 s LEU 6 Cb -0.03 -0.18 -0.01 0.00 -0.43 0.00 0.00 46.19 45.54 1jh5 s LEU 6 CO 0.06 -0.05 -0.14 -1.58 -0.29 0.00 0.00 176.35 174.35 1jh5 s GLN 7 N 0.58 1.10 0.18 1.98 0.74 -0.33 -4.20 119.66 119.70 1jh5 s GLN 7 Ca -0.06 -0.55 0.09 0.00 0.05 0.00 0.00 55.36 54.90 1jh5 s GLN 7 Cb -0.09 -1.08 -0.04 0.00 1.10 0.00 0.00 33.01 32.91 1jh5 s GLN 7 CO -0.01 0.29 -0.14 -0.51 -0.55 0.00 0.00 175.29 174.37 1jh5 s LEU 8 N -0.47 2.81 0.03 3.68 1.02 -0.67 -0.57 118.68 124.51 1jh5 s LEU 8 Ca 0.05 -0.65 0.05 0.00 0.02 0.00 0.00 54.13 53.60 1jh5 s LEU 8 Cb -0.06 -1.52 -0.02 0.00 0.02 0.00 0.00 46.19 44.61 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 -1.63 1.16 0.22 -0.59 1.01 0.20 -1.78 121.20 119.79 1jh5 s ILE 9 Ca 0.23 -0.94 -0.31 0.00 0.00 0.00 0.00 60.65 59.62 1jh5 s ILE 9 Cb -0.09 -1.03 -0.11 0.00 0.01 0.00 0.00 42.46 41.24 1jh5 s ILE 9 CO 0.13 0.08 1.63 0.00 0.00 0.00 0.00 174.94 176.78 1jh5 s ALA 10 N -0.75 3.82 -0.89 9.38 0.00 -0.97 -0.68 121.76 131.68 1jh5 s ALA 10 Ca 0.03 1.51 -0.18 0.00 0.00 0.00 0.00 51.96 53.31 1jh5 s ALA 10 Cb -0.07 -3.65 0.15 0.00 0.00 0.00 0.00 23.12 19.54 1jh5 s ALA 10 CO 0.01 -0.89 1.03 0.34 0.00 0.00 0.00 175.76 176.26 1jh5 s ASP 11 N 0.93 6.62 0.00 0.00 2.15 0.18 -4.35 116.67 122.20 1jh5 s ASP 11 Ca 0.69 -2.11 0.00 0.00 0.43 0.00 0.00 52.55 51.56 1jh5 s ASP 11 Cb -0.47 -2.36 0.00 0.00 -0.30 0.00 0.00 42.92 39.79 1jh5 s ASP 11 CO 0.37 -0.98 0.09 -1.54 -0.17 0.00 0.00 175.17 172.94 1jh5 n SER 12 N 6.06 0.21 -0.76 -0.34 3.41 -1.15 -2.82 113.62 118.23 1jh5 n SER 12 Ca 0.20 -0.33 0.04 0.00 -0.26 0.00 0.00 58.87 58.51 1jh5 n SER 12 Cb 0.48 -0.08 0.05 0.00 -0.26 0.00 0.00 64.21 64.40 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 0.48 0.39 -3.77 4.33 1.02 -1.26 -5.04 120.64 116.79 1jh5 n GLU 13 Ca 0.00 -1.85 -0.13 0.00 -0.02 0.00 0.00 57.16 55.16 1jh5 n GLU 13 Cb 0.05 -0.63 -0.09 0.00 -0.02 0.00 0.00 31.44 30.75 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 -0.84 0.06 0.53 2.62 -4.23 -1.13 -5.15 115.64 107.50 1jh5 s THR 14 Ca 0.20 -0.52 -0.22 0.00 -1.18 0.00 0.00 61.69 59.97 1jh5 s THR 14 Cb 0.21 -0.63 -0.05 0.00 1.34 0.00 0.00 72.50 73.37 1jh5 s THR 14 CO -0.06 -0.29 1.33 -2.84 -0.54 0.00 0.00 174.62 172.23 1jh5 s PRO 15 N -1.46 3.27 -0.22 3.99 0.02 -1.26 -4.87 135.00 134.46 1jh5 s PRO 15 Ca -0.13 2.18 -0.29 0.00 0.02 0.00 0.00 61.00 62.78 1jh5 s PRO 15 Cb -0.05 -2.30 -0.02 0.00 0.02 0.00 0.00 34.50 32.15 1jh5 s PRO 15 CO 0.03 -1.07 1.50 0.95 -0.33 0.00 0.00 177.00 178.08 1jh5 s THR 16 N -1.33 3.87 0.14 0.99 -4.23 -1.26 -4.71 115.64 109.11 1jh5 s THR 16 Ca 0.70 0.99 -0.34 0.00 -1.18 0.00 0.00 61.69 61.86 1jh5 s THR 16 Cb -0.39 -3.83 -0.15 0.00 1.34 0.00 0.00 72.50 69.47 1jh5 s THR 16 CO 0.46 -0.30 1.37 -0.38 -0.54 0.00 0.00 174.62 175.23 1jh5 n ILE 17 N 6.14 0.33 -4.83 2.99 5.41 -0.60 -4.73 119.36 124.07 1jh5 n ILE 17 Ca 0.17 -0.08 -0.33 0.00 1.00 0.00 0.00 62.75 63.51 1jh5 n ILE 17 Cb 0.45 -1.08 -0.14 0.00 -0.71 0.00 0.00 39.64 38.16 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 0.27 2.97 -0.29 0.38 2.00 -1.26 -0.48 119.66 123.25 1jh5 s GLN 18 Ca 0.78 -0.69 -0.16 0.00 -2.00 0.00 0.00 55.36 53.29 1jh5 s GLN 18 Cb -0.82 -2.51 0.17 0.00 0.80 0.00 0.00 33.01 30.64 1jh5 s GLN 18 CO 0.46 0.41 1.06 0.21 -0.50 0.00 0.00 175.29 176.93 1jh5 s LYS 19 N -0.16 0.27 -1.47 1.67 2.20 -0.89 -4.96 119.74 116.41 1jh5 s LYS 19 Ca -0.01 0.48 -0.12 0.00 -0.36 0.00 0.00 55.97 55.97 1jh5 s LYS 19 Cb -0.13 0.06 0.06 0.00 -1.51 0.00 0.00 37.83 36.30 1jh5 s LYS 19 CO 0.03 -0.06 1.04 0.41 -0.36 0.00 0.00 175.35 176.41 1jh5 n GLY 20 N 3.54 -0.50 3.94 5.54 0.00 -1.26 -1.42 105.19 115.03 1jh5 n GLY 20 Ca -0.18 0.21 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.91 -4.38 -4.17 1.61 3.41 -1.26 -4.98 113.62 100.95 1jh5 n SER 21 Ca 0.01 -0.80 -0.20 0.00 -0.26 0.00 0.00 58.87 57.62 1jh5 n SER 21 Cb 0.54 -3.52 -0.13 0.00 -0.26 0.00 0.00 64.21 60.84 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 -3.26 1.31 -0.16 7.33 1.51 -0.51 -3.63 117.35 119.95 1jh5 s TYR 22 Ca 0.67 -0.38 -0.04 0.00 -1.01 0.00 0.00 57.07 56.31 1jh5 s TYR 22 Cb -0.34 -0.77 -0.03 0.00 -0.11 0.00 0.00 41.96 40.71 1jh5 s TYR 22 CO 0.82 0.05 -0.02 0.99 -1.11 0.00 0.00 175.55 176.29 1jh5 s THR 23 N -0.93 4.09 -0.16 -0.71 2.01 0.50 -2.09 115.64 118.35 1jh5 s THR 23 Ca 0.02 -0.29 0.01 0.00 0.31 0.00 0.00 61.69 61.74 1jh5 s THR 23 Cb -0.08 -2.80 0.01 0.00 0.01 0.00 0.00 72.50 69.63 1jh5 s THR 23 CO 0.02 0.50 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.91 1jh5 s PHE 24 N 0.27 2.76 0.22 4.92 0.40 0.37 -1.28 117.98 125.64 1jh5 s PHE 24 Ca -0.02 -1.25 -0.30 0.00 -0.60 0.00 0.00 56.93 54.75 1jh5 s PHE 24 Cb -0.14 -1.89 -0.10 0.00 0.51 0.00 0.00 43.02 41.41 1jh5 s PHE 24 CO 0.02 -0.59 1.47 0.08 0.70 0.00 0.00 175.22 176.90 1jh5 s VAL 25 N 0.96 2.71 -0.39 -0.44 1.01 -1.26 -1.56 120.40 121.43 1jh5 s VAL 25 Ca -0.03 0.56 -0.29 0.00 0.00 0.00 0.00 61.98 62.23 1jh5 s VAL 25 Cb -0.15 -3.36 0.01 0.00 0.00 0.00 0.00 36.38 32.88 1jh5 s VAL 25 CO -0.04 0.07 1.28 -2.84 0.00 0.00 0.00 175.10 173.58 1jh5 s PRO 26 N 0.14 3.76 0.57 2.72 0.02 -1.26 -4.88 135.00 136.07 1jh5 s PRO 26 Ca 0.62 0.95 -0.06 0.00 0.02 0.00 0.00 61.00 62.54 1jh5 s PRO 26 Cb -0.42 -3.93 -0.00 0.00 0.02 0.00 0.00 34.50 30.17 1jh5 s PRO 26 CO 0.39 -1.33 0.88 -1.58 -0.33 0.00 0.00 177.00 175.03 1jh5 s TRP 27 N 4.72 3.33 -0.15 6.54 0.23 -1.26 0.48 118.94 132.84 1jh5 s TRP 27 Ca 0.55 0.70 -0.08 0.00 -2.03 0.00 0.00 56.10 55.25 1jh5 s TRP 27 Cb -0.13 -2.64 0.06 0.00 0.03 0.00 0.00 33.47 30.79 1jh5 s TRP 27 CO 0.28 -0.70 0.35 -1.17 0.96 0.00 0.00 176.95 176.67 1jh5 s LEU 28 N -4.94 0.04 0.05 2.99 2.96 0.15 -4.59 118.68 115.34 1jh5 s LEU 28 Ca 0.53 0.77 -0.34 0.00 -0.22 0.00 0.00 54.13 54.86 1jh5 s LEU 28 Cb -0.10 1.12 -0.13 0.00 0.50 0.00 0.00 46.19 47.58 1jh5 s LEU 28 CO 0.45 -0.19 1.70 -0.11 -1.32 0.00 0.00 176.35 176.89 1jh5 n LEU 29 N 4.34 3.23 -0.09 -0.68 7.94 -1.26 -0.63 117.00 129.85 1jh5 n LEU 29 Ca -0.23 1.04 -0.13 0.00 -1.11 0.00 0.00 56.01 55.58 1jh5 n LEU 29 Cb 0.54 -1.40 -0.07 0.00 0.53 0.00 0.00 43.42 43.02 1jh5 n LEU 29 CO 0.10 -0.20 -0.36 -1.28 -1.11 0.00 0.00 177.39 174.54 1jh5 h SER 30 N 7.32 0.00 -4.36 1.96 0.87 -1.14 -3.45 113.55 114.75 1jh5 h SER 30 Ca -0.46 -0.31 0.08 0.00 -1.23 0.00 0.00 61.79 59.87 1jh5 h SER 30 Cb 1.26 0.00 -0.20 0.00 -0.44 0.00 0.00 62.40 63.02 1jh5 h SER 30 CO 0.91 1.11 0.50 0.72 -0.53 0.00 0.00 176.83 179.54 1jh5 s PHE 31 N -2.25 -0.38 -0.05 2.24 -0.12 -1.11 -5.01 117.98 111.29 1jh5 s PHE 31 Ca -0.21 0.54 0.00 0.00 -0.05 0.00 0.00 56.93 57.21 1jh5 s PHE 31 Cb 0.03 0.47 0.02 0.00 -0.63 0.00 0.00 43.02 42.92 1jh5 s PHE 31 CO 0.41 -0.43 -0.03 0.21 -0.05 0.00 0.00 175.22 175.34 1jh5 s LYS 32 N -1.76 0.75 -0.10 1.99 2.20 -1.26 -1.19 119.74 120.36 1jh5 s LYS 32 Ca -0.00 -0.04 0.01 0.00 -0.36 0.00 0.00 55.97 55.57 1jh5 s LYS 32 Cb -0.01 -0.87 0.02 0.00 -1.51 0.00 0.00 37.83 35.47 1jh5 s LYS 32 CO -0.01 -0.15 -0.10 0.50 -0.36 0.00 0.00 175.35 175.23 1jh5 s ARG 33 N 1.21 1.73 0.53 4.03 3.52 0.81 -5.01 118.95 125.76 1jh5 s ARG 33 Ca -0.07 -0.36 0.00 0.00 -0.13 0.00 0.00 55.73 55.17 1jh5 s ARG 33 Cb -0.14 -1.62 0.00 0.00 -1.56 0.00 0.00 34.95 31.63 1jh5 s ARG 33 CO -0.02 -0.16 0.00 0.41 -0.81 0.00 0.00 175.30 174.73 1jh5 n GLY 34 N 4.52 -1.80 0.00 8.12 0.00 -1.26 -0.89 105.19 113.88 1jh5 n GLY 34 Ca -0.17 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.05 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 0.15 4.71 0.22 1.61 3.41 -1.26 -4.75 113.62 117.70 1jh5 n SER 35 Ca 0.00 -0.02 0.15 0.00 -0.26 0.00 0.00 58.87 58.74 1jh5 n SER 35 Cb 0.00 0.99 0.77 0.00 -0.26 0.00 0.00 64.21 65.71 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 0.00 1.00 -3.39 7.33 0.00 -1.92 -3.43 119.26 118.85 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 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 17.56 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 -5.08 2.19 0.13 0.00 1.43 -1.26 -0.20 118.68 115.89 1jh5 s LEU 37 Ca -0.02 -0.42 -0.07 0.00 -1.03 0.00 0.00 54.13 52.58 1jh5 s LEU 37 Cb 0.09 -0.21 -0.01 0.00 0.03 0.00 0.00 46.19 46.08 1jh5 s LEU 37 CO 0.30 -0.12 0.21 -1.61 0.23 0.00 0.00 176.35 175.36 1jh5 s GLU 38 N -1.17 1.02 0.13 1.70 2.02 -0.62 -4.92 118.70 116.87 1jh5 s GLU 38 Ca -0.06 -1.16 -0.10 0.00 0.02 0.00 0.00 54.97 53.67 1jh5 s GLU 38 Cb -0.08 0.34 -0.06 0.00 0.10 0.00 0.00 34.13 34.43 1jh5 s GLU 38 CO 0.00 -0.34 0.47 -1.21 0.02 0.00 0.00 175.26 174.20 1jh5 s GLU 39 N -3.95 3.81 -0.29 1.61 2.02 -1.26 0.25 118.70 120.89 1jh5 s GLU 39 Ca 0.14 0.25 0.03 0.00 0.02 0.00 0.00 54.97 55.41 1jh5 s GLU 39 Cb 0.05 -2.89 0.20 0.00 0.10 0.00 0.00 34.13 31.58 1jh5 s GLU 39 CO -0.03 0.48 0.63 0.21 0.02 0.00 0.00 175.26 176.57 1jh5 s LYS 40 N -2.19 0.53 -1.16 1.61 2.20 0.30 -4.81 119.74 116.23 1jh5 s LYS 40 Ca 0.38 0.65 -0.18 0.00 -0.36 0.00 0.00 55.97 56.46 1jh5 s LYS 40 Cb -0.13 0.33 -0.01 0.00 -1.51 0.00 0.00 37.83 36.50 1jh5 s LYS 40 CO 0.20 -0.86 0.77 0.39 -0.36 0.00 0.00 175.35 175.48 1jh5 n GLU 41 N 5.41 -1.53 -1.57 4.03 1.02 -1.26 -1.64 120.64 125.10 1jh5 n GLU 41 Ca 0.03 0.47 -0.18 0.00 -0.02 0.00 0.00 57.16 57.46 1jh5 n GLU 41 Cb 0.53 -4.23 -0.08 0.00 -0.02 0.00 0.00 31.44 27.64 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 -2.72 -5.22 -4.22 1.62 4.05 -1.26 -4.97 115.26 102.54 1jh5 n ASN 42 Ca -0.11 0.43 -0.13 0.00 0.45 0.00 0.00 54.58 55.22 1jh5 n ASN 42 Cb 0.60 -4.33 -0.10 0.00 1.23 0.00 0.00 39.78 37.18 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 -3.62 0.98 -0.24 1.20 1.02 -0.65 -4.85 119.74 113.59 1jh5 s LYS 43 Ca 0.00 -1.43 -0.13 0.00 0.02 0.00 0.00 55.97 54.43 1jh5 s LYS 43 Cb 0.00 -0.36 -0.04 0.00 -0.52 0.00 0.00 37.83 36.91 1jh5 s LYS 43 CO 0.00 -0.02 0.27 0.42 -0.92 0.00 0.00 175.35 175.10 1jh5 s ILE 44 N -3.54 5.28 -0.20 2.17 1.01 -0.26 -0.54 121.20 125.12 1jh5 s ILE 44 Ca 0.17 0.40 -0.11 0.00 0.00 0.00 0.00 60.65 61.11 1jh5 s ILE 44 Cb 0.05 -3.60 -0.05 0.00 0.01 0.00 0.00 42.46 38.86 1jh5 s ILE 44 CO -0.01 0.28 0.18 -0.22 0.00 0.00 0.00 174.94 175.17 1jh5 s LEU 45 N 1.35 4.20 -0.25 2.97 2.96 0.14 -0.31 118.68 129.74 1jh5 s LEU 45 Ca 0.12 0.29 -0.24 0.00 -0.22 0.00 0.00 54.13 54.08 1jh5 s LEU 45 Cb -0.14 -2.17 -0.00 0.00 0.50 0.00 0.00 46.19 44.37 1jh5 s LEU 45 CO 0.07 0.14 0.82 -0.69 -1.32 0.00 0.00 176.35 175.37 1jh5 s VAL 46 N 0.51 4.84 -1.12 1.68 1.01 -0.14 -1.58 120.40 125.59 1jh5 s VAL 46 Ca 0.10 1.54 0.20 0.00 0.00 0.00 0.00 61.98 63.82 1jh5 s VAL 46 Cb -0.12 -4.11 -0.17 0.00 0.00 0.00 0.00 36.38 31.97 1jh5 s VAL 46 CO 0.01 -0.08 0.87 0.29 0.00 0.00 0.00 175.10 176.19 1jh5 n LYS 47 N 6.01 0.69 -3.70 2.72 4.76 0.72 -0.23 118.16 129.13 1jh5 n LYS 47 Ca 0.05 -0.19 -0.14 0.00 -2.87 0.00 0.00 58.31 55.16 1jh5 n LYS 47 Cb 0.48 -1.42 -0.14 0.00 -1.84 0.00 0.00 35.03 32.10 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 -2.74 0.13 0.54 1.97 2.02 -1.23 -4.78 118.70 114.60 1jh5 s GLU 48 Ca 0.09 0.56 -0.20 0.00 0.02 0.00 0.00 54.97 55.44 1jh5 s GLU 48 Cb 0.15 -0.14 -0.06 0.00 0.10 0.00 0.00 34.13 34.18 1jh5 s GLU 48 CO 0.75 -0.23 1.15 0.95 0.02 0.00 0.00 175.26 177.90 1jh5 s THR 49 N 1.76 3.08 -3.83 3.63 -4.23 -1.26 -4.57 115.64 110.21 1jh5 s THR 49 Ca -0.04 0.69 0.00 0.00 -1.18 0.00 0.00 61.69 61.16 1jh5 s THR 49 Cb -0.11 -3.29 0.00 0.00 1.34 0.00 0.00 72.50 70.44 1jh5 s THR 49 CO -0.07 -0.13 0.00 0.61 -0.54 0.00 0.00 174.62 174.49 1jh5 n GLY 50 N 0.24 -0.90 3.66 3.99 0.00 -0.02 -4.94 105.19 107.23 1jh5 n GLY 50 Ca 0.11 -1.06 -0.35 0.00 0.00 0.00 0.00 46.02 44.72 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 3.31 0.08 1.61 1.51 -1.26 -1.02 117.35 118.59 1jh5 s TYR 51 Ca 0.00 0.18 0.08 0.00 -1.01 0.00 0.00 57.07 56.32 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 0.15 -0.21 -0.06 -1.11 0.00 0.00 175.55 174.31 1jh5 s PHE 52 N 0.63 1.83 -0.24 2.71 0.40 -0.40 -0.75 117.98 122.17 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 -1.03 -0.05 0.00 0.51 0.00 0.00 43.02 42.33 1jh5 s PHE 52 CO 0.01 0.17 0.21 0.12 0.70 0.00 0.00 175.22 176.43 1jh5 s PHE 53 N -1.03 3.31 -0.09 0.36 5.36 0.52 -1.28 117.98 125.12 1jh5 s PHE 53 Ca 0.07 0.28 0.04 0.00 -0.96 0.00 0.00 56.93 56.36 1jh5 s PHE 53 Cb -0.10 -2.34 0.00 0.00 -0.34 0.00 0.00 43.02 40.25 1jh5 s PHE 53 CO 0.03 0.01 -0.22 0.42 -1.46 0.00 0.00 175.22 174.01 1jh5 s ILE 54 N 1.24 1.87 0.30 3.12 1.01 0.75 -0.43 121.20 129.07 1jh5 s ILE 54 Ca 0.10 -0.92 0.03 0.00 0.00 0.00 0.00 60.65 59.85 1jh5 s ILE 54 Cb -0.14 -1.63 -0.05 0.00 0.01 0.00 0.00 42.46 40.65 1jh5 s ILE 54 CO 0.06 0.52 0.09 -0.72 0.00 0.00 0.00 174.94 174.89 1jh5 s TYR 55 N 0.35 1.74 0.00 3.97 -0.85 -1.26 -1.13 117.35 120.16 1jh5 s TYR 55 Ca -0.16 -1.12 0.00 0.00 -0.52 0.00 0.00 57.07 55.27 1jh5 s TYR 55 Cb -0.17 -1.07 0.00 0.00 0.38 0.00 0.00 41.96 41.10 1jh5 s TYR 55 CO 0.07 -0.21 0.00 0.41 -1.52 0.00 0.00 175.55 174.30 1jh5 n GLY 56 N -0.60 1.46 3.06 5.49 0.00 -0.88 0.16 105.19 113.87 1jh5 n GLY 56 Ca -0.01 0.08 -0.15 0.00 0.00 0.00 0.00 46.02 45.94 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 0.59 -0.00 1.61 0.74 -0.55 -2.23 119.66 118.88 1jh5 s GLN 57 Ca 0.00 -0.65 -0.00 0.00 0.05 0.00 0.00 55.36 54.76 1jh5 s GLN 57 Cb 0.00 -0.46 -0.00 0.00 1.10 0.00 0.00 33.01 33.65 1jh5 s GLN 57 CO 0.00 0.10 0.00 0.08 -0.55 0.00 0.00 175.29 174.93 1jh5 s VAL 58 N -1.01 0.00 -0.36 1.34 1.01 -1.08 -1.13 120.40 119.17 1jh5 s VAL 58 Ca -0.05 -0.04 -0.13 0.00 0.00 0.00 0.00 61.98 61.77 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 -0.02 0.24 -0.22 0.00 0.00 0.00 175.10 175.11 1jh5 s LEU 59 N -0.06 4.66 -0.16 3.92 0.20 -1.25 -0.83 118.68 125.15 1jh5 s LEU 59 Ca -0.01 -0.62 -0.19 0.00 0.69 0.00 0.00 54.13 54.01 1jh5 s LEU 59 Cb -0.00 -2.12 -0.04 0.00 -0.43 0.00 0.00 46.19 43.60 1jh5 s LEU 59 CO -0.00 -0.30 0.51 -0.31 -0.29 0.00 0.00 176.35 175.96 1jh5 s TYR 60 N 1.68 3.44 -0.08 5.38 1.51 -1.26 -1.85 117.35 126.17 1jh5 s TYR 60 Ca 0.05 0.85 0.11 0.00 -1.01 0.00 0.00 57.07 57.07 1jh5 s TYR 60 Cb -0.18 -2.63 0.17 0.00 -0.11 0.00 0.00 41.96 39.21 1jh5 s TYR 60 CO 0.09 0.02 1.08 0.25 -1.11 0.00 0.00 175.55 175.88 1jh5 n THR 61 N 4.15 1.48 -3.20 -0.71 -2.24 0.18 -1.63 114.28 112.31 1jh5 n THR 61 Ca -0.05 -1.70 -0.33 0.00 -2.27 0.00 0.00 64.05 59.70 1jh5 n THR 61 Cb 0.51 0.07 -0.06 0.00 -2.10 0.00 0.00 70.33 68.75 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 -2.09 6.78 -0.24 3.42 3.68 -0.81 -4.61 116.67 122.81 1jh5 s ASP 62 Ca 0.19 1.22 0.14 0.00 2.13 0.00 0.00 52.55 56.22 1jh5 s ASP 62 Cb 0.16 -2.35 0.59 0.00 -1.45 0.00 0.00 42.92 39.88 1jh5 s ASP 62 CO 0.02 -0.14 1.54 2.29 0.13 0.00 0.00 175.17 179.01 1jh5 n LYS 63 N -0.16 3.03 -1.57 4.34 2.85 -1.26 -4.73 118.16 120.67 1jh5 n LYS 63 Ca 0.02 -2.99 -0.39 0.00 -1.05 0.00 0.00 58.31 53.90 1jh5 n LYS 63 Cb 0.53 -1.95 -0.02 0.00 -0.65 0.00 0.00 35.03 32.93 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 -0.47 4.66 0.00 0.58 -2.24 -1.26 -4.74 114.28 110.80 1jh5 n THR 64 Ca 0.28 -3.23 0.00 0.00 -2.27 0.00 0.00 64.05 58.84 1jh5 n THR 64 Cb 1.05 -2.42 0.00 0.00 -2.10 0.00 0.00 70.33 66.86 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 2.93 0.00 -3.50 4.78 0.18 -1.26 -4.57 117.16 115.72 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 -2.26 0.36 -3.48 0.00 -1.26 -1.18 121.76 113.94 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 -1.02 -0.03 -1.64 0.00 0.00 0.00 175.76 173.06 1jh5 s MET 67 N 2.81 1.83 0.00 0.00 -1.94 -0.30 -4.92 119.30 116.79 1jh5 s MET 67 Ca -0.00 -1.99 0.00 0.00 -1.71 0.00 0.00 55.69 51.98 1jh5 s MET 67 Cb -0.11 -1.55 0.00 0.00 2.01 0.00 0.00 34.83 35.18 1jh5 s MET 67 CO -0.19 0.02 0.00 0.41 -0.01 0.00 0.00 175.02 175.25 1jh5 n GLY 68 N -0.83 1.20 3.27 -0.03 0.00 -1.26 0.06 105.19 107.60 1jh5 n GLY 68 Ca -0.05 -0.96 -0.15 0.00 0.00 0.00 0.00 46.02 44.87 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 1.34 0.04 1.61 -3.43 -1.10 -4.21 115.29 107.54 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 30.36 1jh5 s HIS 69 CO 0.00 -0.31 -0.20 -0.51 -2.00 0.00 0.00 174.74 171.71 1jh5 s LEU 70 N -3.23 2.16 -0.33 5.38 1.43 0.10 -1.79 118.68 122.39 1jh5 s LEU 70 Ca 0.31 -0.51 -0.06 0.00 -1.03 0.00 0.00 54.13 52.85 1jh5 s LEU 70 Cb 0.07 -0.97 0.04 0.00 0.03 0.00 0.00 46.19 45.37 1jh5 s LEU 70 CO 0.09 0.16 0.09 -0.63 0.23 0.00 0.00 176.35 176.29 1jh5 s ILE 71 N -0.77 3.65 0.22 -0.59 1.01 -1.22 -0.69 121.20 122.82 1jh5 s ILE 71 Ca 0.07 -1.19 0.08 0.00 0.00 0.00 0.00 60.65 59.61 1jh5 s ILE 71 Cb -0.09 -3.08 -0.04 0.00 0.01 0.00 0.00 42.46 39.26 1jh5 s ILE 71 CO 0.02 -0.18 0.05 -1.10 0.00 0.00 0.00 174.94 173.73 1jh5 s GLN 72 N 1.37 2.52 -0.07 2.79 -0.21 0.35 -0.85 119.66 125.56 1jh5 s GLN 72 Ca -0.02 -1.19 0.04 0.00 0.02 0.00 0.00 55.36 54.21 1jh5 s GLN 72 Cb -0.20 -2.35 -0.00 0.00 1.00 0.00 0.00 33.01 31.46 1jh5 s GLN 72 CO 0.02 0.41 -0.20 0.50 -2.12 0.00 0.00 175.29 173.90 1jh5 s ARG 73 N -3.43 2.38 -0.47 2.91 3.52 0.15 -1.63 118.95 122.39 1jh5 s ARG 73 Ca 0.30 -0.74 -0.09 0.00 -0.13 0.00 0.00 55.73 55.07 1jh5 s ARG 73 Cb -0.08 -1.92 0.11 0.00 -1.56 0.00 0.00 34.95 31.50 1jh5 s ARG 73 CO 0.21 0.22 0.34 0.15 -0.81 0.00 0.00 175.30 175.40 1jh5 s LYS 74 N 0.21 2.50 0.33 5.12 1.02 -0.27 -0.92 119.74 127.73 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 -3.92 -0.11 0.00 -0.52 0.00 0.00 37.83 33.13 1jh5 s LYS 74 CO 0.05 -1.17 1.57 1.63 -0.92 0.00 0.00 175.35 176.51 1jh5 n LYS 75 N 4.92 2.73 0.10 1.68 5.02 0.68 -2.92 118.16 130.38 1jh5 n LYS 75 Ca -0.08 0.97 -0.22 0.00 -2.02 0.00 0.00 58.31 56.95 1jh5 n LYS 75 Cb 0.41 -2.74 -0.14 0.00 -0.02 0.00 0.00 35.03 32.54 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 3.22 1.35 -3.10 -0.18 2.07 -1.88 -3.45 116.25 114.27 1jh5 h VAL 76 Ca -0.49 -2.55 -0.65 0.00 0.82 0.00 0.00 66.70 63.84 1jh5 h VAL 76 Cb 1.23 2.96 -0.09 0.00 -1.52 0.00 0.00 31.29 33.87 1jh5 h VAL 76 CO 0.74 0.75 -0.57 -1.00 0.02 0.00 0.00 177.57 177.51 1jh5 s HIS 77 N -2.70 3.29 0.05 1.57 3.76 -1.26 -5.07 115.29 114.92 1jh5 s HIS 77 Ca -0.11 0.18 0.00 0.00 -0.15 0.00 0.00 55.06 54.98 1jh5 s HIS 77 Cb 0.04 -1.71 0.00 0.00 1.11 0.00 0.00 32.58 32.01 1jh5 s HIS 77 CO 0.91 0.55 0.00 0.28 -0.85 0.00 0.00 174.74 175.62 1jh5 n VAL 78 N 0.91 0.41 -0.54 -0.90 0.31 -1.26 -4.99 118.33 112.26 1jh5 n VAL 78 Ca -0.11 0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 1jh5 n VAL 78 Cb 0.52 -1.08 0.00 0.00 -0.91 0.00 0.00 33.84 32.37 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 -2.88 -0.70 0.00 3.52 3.01 -1.26 -4.61 117.46 114.54 1jh5 n PHE 79 Ca 0.00 0.40 0.00 0.00 1.01 0.00 0.00 57.45 58.86 1jh5 n PHE 79 Cb 0.00 -2.07 0.00 0.00 -0.01 0.00 0.00 39.48 37.40 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 2.89 2.12 1.37 0.00 -1.26 -2.26 105.19 108.06 1jh5 n GLY 80 Ca 0.00 -0.01 -0.21 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 2.29 3.73 -4.78 1.61 5.75 -1.26 -4.98 116.55 118.91 1jh5 n ASP 81 Ca 0.00 -3.46 -0.35 0.00 -0.01 0.00 0.00 54.79 50.98 1jh5 n ASP 81 Cb 0.00 -0.81 -0.01 0.00 -1.03 0.00 0.00 41.12 39.28 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 -3.01 3.45 -0.12 0.11 2.02 -0.96 -5.00 118.70 115.20 1jh5 s GLU 82 Ca 0.52 1.53 -0.16 0.00 0.02 0.00 0.00 54.97 56.88 1jh5 s GLU 82 Cb 0.44 -2.03 -0.05 0.00 0.10 0.00 0.00 34.13 32.59 1jh5 s GLU 82 CO 0.10 -0.75 0.40 -0.51 0.02 0.00 0.00 175.26 174.52 1jh5 s LEU 83 N -3.76 4.29 0.00 1.80 1.02 -1.26 -4.93 118.68 115.83 1jh5 s LEU 83 Ca 0.71 0.71 0.27 0.00 0.02 0.00 0.00 54.13 55.84 1jh5 s LEU 83 Cb -0.22 -2.56 1.48 0.00 0.02 0.00 0.00 46.19 44.91 1jh5 s LEU 83 CO 0.26 0.08 1.95 -1.54 0.02 0.00 0.00 176.35 177.11 1jh5 n SER 84 N 3.42 0.00 -4.09 2.29 3.41 -1.26 -4.51 113.62 112.88 1jh5 n SER 84 Ca -0.10 -0.41 -0.33 0.00 -0.26 0.00 0.00 58.87 57.77 1jh5 n SER 84 Cb 0.52 -0.17 -0.14 0.00 -0.26 0.00 0.00 64.21 64.15 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 -2.34 3.94 -0.08 1.04 1.98 -1.26 -0.23 118.68 121.74 1jh5 s LEU 85 Ca 0.32 -1.57 -0.00 0.00 -2.89 0.00 0.00 54.13 49.98 1jh5 s LEU 85 Cb 0.18 -1.62 -0.03 0.00 0.66 0.00 0.00 46.19 45.38 1jh5 s LEU 85 CO 0.37 -0.27 -0.05 -0.69 -1.89 0.00 0.00 176.35 173.82 1jh5 s VAL 86 N 1.09 3.83 -0.27 1.68 1.01 -0.10 -4.95 120.40 122.69 1jh5 s VAL 86 Ca -0.03 -0.43 -0.07 0.00 0.00 0.00 0.00 61.98 61.46 1jh5 s VAL 86 Cb -0.20 -2.59 -0.01 0.00 0.00 0.00 0.00 36.38 33.59 1jh5 s VAL 86 CO -0.05 0.59 0.08 0.42 0.00 0.00 0.00 175.10 176.14 1jh5 s THR 87 N -0.66 4.13 0.03 3.92 -4.23 -1.26 0.33 115.64 117.91 1jh5 s THR 87 Ca 0.10 -0.44 -0.06 0.00 -1.18 0.00 0.00 61.69 60.11 1jh5 s THR 87 Cb -0.11 -3.03 -0.05 0.00 1.34 0.00 0.00 72.50 70.64 1jh5 s THR 87 CO 0.02 0.21 0.29 -0.76 -0.54 0.00 0.00 174.62 173.83 1jh5 s LEU 88 N 1.56 4.36 0.00 4.79 1.02 -0.03 -4.92 118.68 125.45 1jh5 s LEU 88 Ca 0.05 0.57 0.00 0.00 0.02 0.00 0.00 54.13 54.76 1jh5 s LEU 88 Cb -0.16 -2.79 0.00 0.00 0.02 0.00 0.00 46.19 43.26 1jh5 s LEU 88 CO 0.03 0.22 0.00 0.49 0.02 0.00 0.00 176.35 177.11 1jh5 n PHE 89 N 0.94 0.00 -1.15 0.29 0.99 -1.26 -3.38 117.46 113.89 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 0.53 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.01 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 -3.08 -4.38 -1.08 0.63 -1.26 -4.93 116.66 102.57 1jh5 n ARG 90 Ca 0.00 2.25 -0.19 0.00 -0.92 0.00 0.00 57.85 58.99 1jh5 n ARG 90 Cb 0.00 -2.43 -0.10 0.00 0.45 0.00 0.00 32.46 30.38 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 -3.29 0.23 -0.19 0.00 1.01 -1.26 -2.71 121.20 114.99 1jh5 s ILE 92 Ca 0.30 -1.32 -0.07 0.00 0.00 0.00 0.00 60.65 59.56 1jh5 s ILE 92 Cb 0.06 -0.85 0.09 0.00 0.01 0.00 0.00 42.46 41.77 1jh5 s ILE 92 CO 0.11 -0.70 0.41 -1.10 0.00 0.00 0.00 174.94 173.66 1jh5 s GLN 93 N -2.52 0.31 0.53 2.79 -1.52 0.11 -4.96 119.66 114.40 1jh5 s GLN 93 Ca -0.05 1.01 -0.22 0.00 -1.95 0.00 0.00 55.36 54.14 1jh5 s GLN 93 Cb -0.02 0.29 -0.05 0.00 -0.22 0.00 0.00 33.01 33.01 1jh5 s GLN 93 CO -0.04 -0.26 1.35 -0.80 -0.25 0.00 0.00 175.29 175.29 1jh5 s ASN 94 N 2.60 5.38 0.14 5.90 0.01 -1.26 -1.14 114.94 126.56 1jh5 s ASN 94 Ca -0.01 2.74 0.09 0.00 -0.71 0.00 0.00 52.86 54.97 1jh5 s ASN 94 Cb -0.12 -2.63 -0.04 0.00 0.41 0.00 0.00 41.25 38.86 1jh5 s ASN 94 CO -0.12 -1.50 -0.13 -0.04 -1.51 0.00 0.00 177.10 173.79 1jh5 s MET 95 N -2.86 1.95 0.00 -0.60 -1.94 -0.32 -4.85 119.30 110.68 1jh5 s MET 95 Ca 0.70 -1.19 0.00 0.00 -1.71 0.00 0.00 55.69 53.50 1jh5 s MET 95 Cb -0.40 -2.16 0.00 0.00 2.01 0.00 0.00 34.83 34.28 1jh5 s MET 95 CO 0.47 0.47 0.00 -2.30 -0.01 0.00 0.00 175.02 173.65 1jh5 n PRO 96 N 0.50 -0.03 -0.01 2.03 -0.02 -1.26 -4.28 135.00 131.93 1jh5 n PRO 96 Ca -0.13 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.36 1jh5 n PRO 96 Cb 0.54 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.98 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 -0.98 0.83 0.00 -0.52 2.13 -1.26 -4.55 120.64 116.28 1jh5 n GLU 97 Ca 0.00 -0.04 0.00 0.00 0.66 0.00 0.00 57.16 57.78 1jh5 n GLU 97 Cb 0.00 -1.13 0.00 0.00 0.27 0.00 0.00 31.44 30.58 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 -1.79 0.00 -3.48 6.31 -2.24 -1.26 -4.84 114.28 106.97 1jh5 n THR 98 Ca -0.02 0.41 -0.30 0.00 -2.27 0.00 0.00 64.05 61.87 1jh5 n THR 98 Cb 0.25 -1.36 -0.08 0.00 -2.10 0.00 0.00 70.33 67.05 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 -2.14 4.00 -4.68 3.22 4.77 -1.26 -5.06 117.00 115.84 1jh5 n LEU 99 Ca 0.00 -5.35 -0.59 0.00 -0.03 0.00 0.00 56.01 50.04 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 1.91 1.16 -2.65 -1.33 0.00 0.00 177.39 176.49 1jh5 n PRO 100 N 1.24 0.82 -2.84 3.23 -0.02 -1.26 -4.92 135.00 131.25 1jh5 n PRO 100 Ca 0.27 0.30 -0.02 0.00 -2.02 0.00 0.00 63.50 62.03 1jh5 n PRO 100 Cb 0.39 -1.92 0.01 0.00 -0.02 0.00 0.00 33.50 31.95 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 2.67 -1.10 -0.06 2.55 0.01 -1.16 -4.42 114.94 113.43 1jh5 s ASN 101 Ca 0.97 -1.05 -0.02 0.00 -0.71 0.00 0.00 52.86 52.05 1jh5 s ASN 101 Cb -1.16 1.42 -0.03 0.00 0.41 0.00 0.00 41.25 41.90 1jh5 s ASN 101 CO 0.65 -0.07 -0.07 0.59 -1.51 0.00 0.00 177.10 176.69 1jh5 n ASN 102 N 3.28 1.33 -1.92 -1.22 3.02 -0.65 -4.97 115.26 114.13 1jh5 n ASN 102 Ca 0.14 0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.73 1jh5 n ASN 102 Cb 0.59 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.60 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 -3.11 -9.65 -3.71 6.41 2.88 -1.22 -4.81 113.62 100.41 1jh5 n SER 103 Ca -0.12 1.38 -0.12 0.00 -1.33 0.00 0.00 58.87 58.68 1jh5 n SER 103 Cb 0.60 -5.20 -0.13 0.00 -0.75 0.00 0.00 64.21 58.73 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 1.58 3.12 -0.19 0.00 5.04 -1.26 -2.64 117.35 123.00 1jh5 s TYR 105 Ca -0.07 0.08 -0.27 0.00 -2.44 0.00 0.00 57.07 54.37 1jh5 s TYR 105 Cb -0.11 -1.64 0.07 0.00 0.35 0.00 0.00 41.96 40.63 1jh5 s TYR 105 CO -0.09 0.49 0.71 0.45 -1.34 0.00 0.00 175.55 175.77 1jh5 s SER 106 N -1.93 -0.71 0.19 4.32 0.15 -0.94 -5.01 113.70 109.77 1jh5 s SER 106 Ca 0.23 1.17 -0.17 0.00 0.70 0.00 0.00 55.95 57.89 1jh5 s SER 106 Cb -0.12 1.12 0.03 0.00 -1.71 0.00 0.00 66.02 65.33 1jh5 s SER 106 CO 0.15 -0.38 0.51 0.00 1.20 0.00 0.00 173.24 174.72 1jh5 s ALA 107 N -0.21 -0.89 0.10 5.45 0.00 -1.26 -2.08 121.76 122.87 1jh5 s ALA 107 Ca -0.04 -0.25 -0.25 0.00 0.00 0.00 0.00 51.96 51.42 1jh5 s ALA 107 Cb -0.03 0.85 0.08 0.00 0.00 0.00 0.00 23.12 24.03 1jh5 s ALA 107 CO 0.04 -0.79 1.15 0.20 0.00 0.00 0.00 175.76 176.35 1jh5 s GLY 108 N -2.88 0.02 -0.04 0.00 0.00 -0.28 -4.99 107.32 99.15 1jh5 s GLY 108 Ca 0.10 -0.19 0.03 0.00 0.00 0.00 0.00 44.72 44.65 1jh5 s GLY 108 CO -0.03 3.87 -0.10 -0.42 0.00 0.00 0.00 173.10 176.43 1jh5 s ILE 109 N -2.08 3.45 0.04 0.90 1.01 -1.26 -0.18 121.20 123.09 1jh5 s ILE 109 Ca 0.25 -0.67 -0.13 0.00 0.00 0.00 0.00 60.65 60.11 1jh5 s ILE 109 Cb -0.02 -2.42 0.02 0.00 0.01 0.00 0.00 42.46 40.05 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 -0.60 -0.14 9.38 0.00 -0.41 -4.99 121.76 124.16 1jh5 s ALA 110 Ca 0.13 -0.08 -0.14 0.00 0.00 0.00 0.00 51.96 51.88 1jh5 s ALA 110 Cb -0.11 0.32 -0.05 0.00 0.00 0.00 0.00 23.12 23.28 1jh5 s ALA 110 CO 0.03 -0.41 0.30 0.21 0.00 0.00 0.00 175.76 175.89 1jh5 s LYS 111 N -2.60 4.17 0.21 0.00 2.20 -1.26 -1.28 119.74 121.18 1jh5 s LYS 111 Ca -0.05 0.12 0.06 0.00 -0.36 0.00 0.00 55.97 55.74 1jh5 s LYS 111 Cb -0.01 -3.39 -0.05 0.00 -1.51 0.00 0.00 37.83 32.87 1jh5 s LYS 111 CO -0.04 0.32 -0.10 -0.51 -0.36 0.00 0.00 175.35 174.67 1jh5 s LEU 112 N 0.21 2.48 0.17 5.43 1.43 -0.18 -4.99 118.68 123.22 1jh5 s LEU 112 Ca 0.17 -1.08 0.07 0.00 -1.03 0.00 0.00 54.13 52.26 1jh5 s LEU 112 Cb -0.13 -0.54 -0.04 0.00 0.03 0.00 0.00 46.19 45.50 1jh5 s LEU 112 CO 0.05 -0.29 -0.14 -1.61 0.23 0.00 0.00 176.35 174.59 1jh5 s GLU 113 N -3.71 1.19 -0.14 1.70 2.02 -1.26 -0.84 118.70 117.65 1jh5 s GLU 113 Ca 0.24 -1.44 -0.40 0.00 0.02 0.00 0.00 54.97 53.38 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 1.44 0.39 0.02 0.00 0.00 175.26 177.35 1jh5 n GLU 114 N -0.01 0.69 0.00 1.61 1.02 -1.26 -0.50 120.64 122.19 1jh5 n GLU 114 Ca -0.11 0.25 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 1jh5 n GLU 114 Cb 0.59 -1.85 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 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 3.03 2.67 3.76 0.62 0.00 0.68 -4.84 105.19 111.12 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 -1.24 5.12 -0.00 1.61 1.01 0.34 -4.60 116.67 118.91 1jh5 s ASP 116 Ca 0.00 2.15 0.05 0.00 0.71 0.00 0.00 52.55 55.46 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 -1.63 -0.17 -1.61 0.21 0.00 0.00 175.17 171.97 1jh5 s GLU 117 N -3.77 1.32 0.01 8.23 2.02 -1.15 -0.97 118.70 124.40 1jh5 s GLU 117 Ca 0.71 -0.65 0.03 0.00 0.02 0.00 0.00 54.97 55.08 1jh5 s GLU 117 Cb -0.24 -1.30 -0.04 0.00 0.10 0.00 0.00 34.13 32.65 1jh5 s GLU 117 CO 0.37 0.35 -0.04 -0.51 0.02 0.00 0.00 175.26 175.45 1jh5 s LEU 118 N -0.54 3.29 0.04 1.80 1.43 0.58 -1.11 118.68 124.17 1jh5 s LEU 118 Ca 0.06 -0.12 -0.14 0.00 -1.03 0.00 0.00 54.13 52.90 1jh5 s LEU 118 Cb -0.07 -1.90 0.02 0.00 0.03 0.00 0.00 46.19 44.27 1jh5 s LEU 118 CO -0.00 0.27 0.31 0.00 0.23 0.00 0.00 176.35 177.15 1jh5 s GLN 119 N -1.56 0.81 -0.22 1.70 -2.07 -0.65 -1.11 119.66 116.57 1jh5 s GLN 119 Ca 0.19 -0.49 -0.04 0.00 -1.82 0.00 0.00 55.36 53.19 1jh5 s GLN 119 Cb -0.11 0.35 -0.01 0.00 -1.09 0.00 0.00 33.01 32.15 1jh5 s GLN 119 CO 0.09 -0.26 -0.02 -1.17 -1.32 0.00 0.00 175.29 172.61 1jh5 s LEU 120 N -2.05 3.02 -0.00 2.60 1.98 -1.26 -0.49 118.68 122.47 1jh5 s LEU 120 Ca -0.05 -0.34 0.05 0.00 -2.89 0.00 0.00 54.13 50.90 1jh5 s LEU 120 Cb -0.01 -1.77 -0.01 0.00 0.66 0.00 0.00 46.19 45.05 1jh5 s LEU 120 CO -0.03 -0.01 -0.16 0.00 -1.89 0.00 0.00 176.35 174.27 1jh5 s ALA 121 N 1.41 1.30 -0.26 5.97 0.00 0.13 -4.48 121.76 125.82 1jh5 s ALA 121 Ca 0.05 -0.71 -0.07 0.00 0.00 0.00 0.00 51.96 51.23 1jh5 s ALA 121 Cb -0.14 -0.31 -0.01 0.00 0.00 0.00 0.00 23.12 22.66 1jh5 s ALA 121 CO -0.01 0.31 0.06 0.42 0.00 0.00 0.00 175.76 176.53 1jh5 s ILE 122 N -0.46 4.02 -0.43 0.00 1.01 -0.40 0.02 121.20 124.96 1jh5 s ILE 122 Ca 0.05 -0.45 -0.04 0.00 0.00 0.00 0.00 60.65 60.21 1jh5 s ILE 122 Cb -0.06 -2.95 -0.10 0.00 0.01 0.00 0.00 42.46 39.35 1jh5 s ILE 122 CO -0.00 0.24 2.18 -2.65 0.00 0.00 0.00 174.94 174.71 1jh5 n PRO 123 N 4.88 1.57 -3.81 2.79 -0.02 -1.26 -0.37 135.00 138.78 1jh5 n PRO 123 Ca -0.16 -0.98 -0.10 0.00 -2.02 0.00 0.00 63.50 60.24 1jh5 n PRO 123 Cb 0.50 -2.09 -0.08 0.00 -0.02 0.00 0.00 33.50 31.81 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 2.60 0.79 -0.04 -0.52 0.52 -1.24 -4.97 118.95 116.08 1jh5 s ARG 124 Ca 0.38 -0.68 -0.26 0.00 -0.52 0.00 0.00 55.73 54.65 1jh5 s ARG 124 Cb 0.14 0.33 -0.21 0.00 0.52 0.00 0.00 34.95 35.73 1jh5 s ARG 124 CO -0.02 -0.25 1.15 0.93 0.02 0.00 0.00 175.30 177.13 1jh5 h GLU 125 N 3.13 -0.02 -2.04 3.54 5.08 -1.86 -1.42 114.58 120.98 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 30.05 1jh5 h GLU 125 CO 0.50 0.55 -1.09 0.09 -1.00 0.00 0.00 179.01 178.05 1jh5 n ASN 126 N -4.82 1.17 -4.57 1.42 4.13 -1.26 -4.53 115.26 106.80 1jh5 n ASN 126 Ca -0.09 -3.02 -0.52 0.00 1.68 0.00 0.00 54.58 52.64 1jh5 n ASN 126 Cb 0.29 -0.62 -0.06 0.00 -1.54 0.00 0.00 39.78 37.85 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 0.55 -1.27 -2.72 5.41 0.00 -1.26 -4.87 120.51 116.35 1jh5 n ALA 127 Ca 0.25 0.51 -0.42 0.00 0.00 0.00 0.00 53.44 53.78 1jh5 n ALA 127 Cb 0.59 -2.02 -0.03 0.00 0.00 0.00 0.00 19.45 17.99 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 0.16 3.15 0.26 0.00 -1.52 -1.26 -4.99 119.66 115.46 1jh5 s GLN 128 Ca 0.82 -0.56 0.11 0.00 -1.95 0.00 0.00 55.36 53.78 1jh5 s GLN 128 Cb -0.96 -4.20 -0.05 0.00 -0.22 0.00 0.00 33.01 27.57 1jh5 s GLN 128 CO 0.50 -1.96 -0.20 0.42 -0.25 0.00 0.00 175.29 173.80 1jh5 s ILE 129 N 4.82 2.36 -0.22 1.08 1.09 -1.26 -0.65 121.20 128.42 1jh5 s ILE 129 Ca 0.28 -2.32 -0.09 0.00 -1.10 0.00 0.00 60.65 57.41 1jh5 s ILE 129 Cb -0.13 -2.23 -0.04 0.00 -1.06 0.00 0.00 42.46 38.99 1jh5 s ILE 129 CO 0.12 -0.38 0.12 -0.55 -0.10 0.00 0.00 174.94 174.15 1jh5 s SER 130 N -3.35 5.87 -0.48 3.58 0.15 -0.77 -4.86 113.70 113.84 1jh5 s SER 130 Ca 0.28 0.08 0.02 0.00 0.70 0.00 0.00 55.95 57.02 1jh5 s SER 130 Cb -0.05 -2.04 0.53 0.00 -1.71 0.00 0.00 66.02 62.75 1jh5 s SER 130 CO 0.13 0.10 1.90 0.18 1.20 0.00 0.00 173.24 176.76 1jh5 n LEU 131 N 4.03 6.78 -4.79 3.45 4.32 -1.26 -4.52 117.00 125.00 1jh5 n LEU 131 Ca -0.16 -3.65 -0.38 0.00 -0.02 0.00 0.00 56.01 51.80 1jh5 n LEU 131 Cb 0.52 -0.87 -0.06 0.00 -1.62 0.00 0.00 43.42 41.39 1jh5 n LEU 131 CO 0.35 1.15 0.42 -1.81 -1.22 0.00 0.00 177.39 176.28 1jh5 s ASP 132 N -1.21 7.23 0.49 -1.43 -0.00 -1.26 -2.94 116.67 117.56 1jh5 s ASP 132 Ca 0.54 1.50 0.24 0.00 -0.00 0.00 0.00 52.55 54.83 1jh5 s ASP 132 Cb 0.44 -2.45 1.29 0.00 -0.00 0.00 0.00 42.92 42.20 1jh5 s ASP 132 CO 0.06 0.18 1.93 1.23 -0.00 0.00 0.00 175.17 178.57 1jh5 h GLY 133 N 4.14 0.31 0.43 0.21 0.00 -1.84 -2.35 103.07 103.97 1jh5 h GLY 133 Ca -0.48 -0.07 -0.02 0.00 0.00 0.00 0.00 47.33 46.76 1jh5 h GLY 133 CO 0.65 0.01 -0.17 -0.55 0.00 0.00 0.00 176.54 176.48 1jh5 h ASP 134 N 0.16 -0.41 -0.36 0.19 3.32 -1.96 -3.39 116.42 113.97 1jh5 h ASP 134 Ca 0.36 -0.08 -0.10 0.00 0.02 0.00 0.00 57.03 57.23 1jh5 h ASP 134 Cb 1.19 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.83 1jh5 h ASP 134 CO -0.06 0.04 -0.14 -0.37 -1.72 0.00 0.00 179.24 176.99 1jh5 h VAL 135 N -1.06 1.26 -3.15 -1.35 -1.51 -1.88 -3.43 116.25 105.13 1jh5 h VAL 135 Ca -0.05 -1.23 -0.58 0.00 -1.23 0.00 0.00 66.70 63.61 1jh5 h VAL 135 Cb 0.46 1.07 -0.36 0.00 -2.13 0.00 0.00 31.29 30.34 1jh5 h VAL 135 CO 0.08 0.42 -0.82 0.42 -1.23 0.00 0.00 177.57 176.44 1jh5 s THR 136 N -4.75 1.42 0.15 7.19 -4.23 -0.90 -3.74 115.64 110.77 1jh5 s THR 136 Ca -0.10 -0.54 -0.07 0.00 -1.18 0.00 0.00 61.69 59.81 1jh5 s THR 136 Cb 0.13 -1.35 -0.02 0.00 1.34 0.00 0.00 72.50 72.61 1jh5 s THR 136 CO 0.83 0.43 0.22 0.72 -0.54 0.00 0.00 174.62 176.28 1jh5 s PHE 137 N 1.51 0.49 -0.06 3.99 -0.12 -0.29 -2.30 117.98 121.20 1jh5 s PHE 137 Ca 0.04 -0.86 0.03 0.00 -0.05 0.00 0.00 56.93 56.09 1jh5 s PHE 137 Cb -0.13 -0.16 0.01 0.00 -0.63 0.00 0.00 43.02 42.11 1jh5 s PHE 137 CO -0.09 -0.65 -0.14 0.12 -0.05 0.00 0.00 175.22 174.40 1jh5 s PHE 138 N -3.98 1.60 0.00 3.49 5.36 -0.73 -1.48 117.98 122.24 1jh5 s PHE 138 Ca 0.17 -0.58 0.00 0.00 -0.96 0.00 0.00 56.93 55.57 1jh5 s PHE 138 Cb 0.04 -1.14 0.00 0.00 -0.34 0.00 0.00 43.02 41.59 1jh5 s PHE 138 CO -0.01 -0.27 0.00 0.41 -1.46 0.00 0.00 175.22 173.89 1jh5 n GLY 139 N 3.66 -0.82 0.59 13.12 0.00 0.41 -1.67 105.19 120.48 1jh5 n GLY 139 Ca -0.22 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.41 -3.34 4.61 0.00 -1.20 -4.41 120.51 111.77 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 0.43 -2.04 118.68 118.69 1jh5 s LEU 141 Ca 0.00 0.01 -0.23 0.00 0.69 0.00 0.00 54.13 54.59 1jh5 s LEU 141 Cb 0.00 -0.08 -0.03 0.00 -0.43 0.00 0.00 46.19 45.65 1jh5 s LEU 141 CO 0.00 -0.06 0.70 -0.75 -0.29 0.00 0.00 176.35 175.95 1jh5 s LYS 142 N 0.57 4.40 0.50 1.98 2.20 0.39 -0.36 119.74 129.42 1jh5 s LYS 142 Ca -0.05 0.86 -0.13 0.00 -0.36 0.00 0.00 55.97 56.29 1jh5 s LYS 142 Cb -0.07 -3.47 -0.06 0.00 -1.51 0.00 0.00 37.83 32.71 1jh5 s LYS 142 CO -0.01 -0.00 0.92 -0.51 -0.36 0.00 0.00 175.35 175.38 1jh5 s LEU 143 N 1.04 3.61 0.00 5.43 1.43 0.07 -4.38 118.68 125.89 1jh5 s LEU 143 Ca 0.36 1.37 0.29 0.00 -1.03 0.00 0.00 54.13 55.12 1jh5 s LEU 143 Cb -0.17 -4.32 1.23 0.00 0.03 0.00 0.00 46.19 42.96 1jh5 s LEU 143 CO 0.17 -0.58 1.85 0.18 0.23 0.00 0.00 176.35 178.19