#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 2.12 -0.36 2.52 -4.23 -1.26 -5.11 115.64 109.31 1jh5 s THR 2 Ca 0.00 -1.65 -0.03 0.00 -1.18 0.00 0.00 61.69 58.82 1jh5 s THR 2 Cb 0.00 -2.77 0.08 0.00 1.34 0.00 0.00 72.50 71.15 1jh5 s THR 2 CO 0.00 0.00 0.12 -1.10 -0.54 0.00 0.00 174.62 173.10 1jh5 s GLN 3 N -3.99 2.23 0.55 3.99 -0.21 -1.26 -4.96 119.66 116.01 1jh5 s GLN 3 Ca 0.37 -1.55 -0.21 0.00 0.02 0.00 0.00 55.36 54.00 1jh5 s GLN 3 Cb 0.02 -3.44 -0.05 0.00 1.00 0.00 0.00 33.01 30.55 1jh5 s GLN 3 CO 0.21 -0.87 1.32 -0.51 -2.12 0.00 0.00 175.29 173.32 1jh5 s ASP 4 N 1.59 5.28 -0.09 5.90 1.01 -1.26 -4.77 116.67 124.32 1jh5 s ASP 4 Ca 0.02 2.68 -0.24 0.00 0.71 0.00 0.00 52.55 55.72 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 -1.56 0.56 0.00 0.21 0.00 0.00 175.17 174.36 1jh5 s LEU 6 N -0.76 1.53 -0.00 0.00 0.20 -0.86 -0.12 118.68 118.67 1jh5 s LEU 6 Ca -0.08 -0.02 0.04 0.00 0.69 0.00 0.00 54.13 54.76 1jh5 s LEU 6 Cb -0.03 -0.14 -0.01 0.00 -0.43 0.00 0.00 46.19 45.58 1jh5 s LEU 6 CO 0.06 -0.05 -0.13 -1.58 -0.29 0.00 0.00 176.35 174.35 1jh5 s GLN 7 N 0.54 1.05 0.17 1.98 0.74 -0.37 -4.19 119.66 119.59 1jh5 s GLN 7 Ca -0.05 -0.52 0.09 0.00 0.05 0.00 0.00 55.36 54.93 1jh5 s GLN 7 Cb -0.08 -1.02 -0.04 0.00 1.10 0.00 0.00 33.01 32.97 1jh5 s GLN 7 CO -0.01 0.28 -0.14 -0.51 -0.55 0.00 0.00 175.29 174.35 1jh5 s LEU 8 N -0.46 2.81 0.03 3.68 1.02 -0.66 -0.55 118.68 124.55 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 44.61 1jh5 s LEU 8 CO -0.00 0.12 -0.14 -0.63 0.02 0.00 0.00 176.35 175.72 1jh5 s ILE 9 N -1.62 1.11 0.21 -0.59 1.01 0.23 -1.81 121.20 119.75 1jh5 s ILE 9 Ca 0.23 -0.95 -0.31 0.00 0.00 0.00 0.00 60.65 59.62 1jh5 s ILE 9 Cb -0.09 -1.00 -0.11 0.00 0.01 0.00 0.00 42.46 41.27 1jh5 s ILE 9 CO 0.13 0.04 1.63 0.00 0.00 0.00 0.00 174.94 176.74 1jh5 s ALA 10 N -0.78 3.83 -0.88 9.38 0.00 -0.97 -0.70 121.76 131.63 1jh5 s ALA 10 Ca 0.02 1.50 -0.18 0.00 0.00 0.00 0.00 51.96 53.30 1jh5 s ALA 10 Cb -0.08 -3.65 0.15 0.00 0.00 0.00 0.00 23.12 19.54 1jh5 s ALA 10 CO 0.01 -0.88 1.03 0.34 0.00 0.00 0.00 175.76 176.26 1jh5 s ASP 11 N 0.97 6.62 0.00 0.00 2.15 0.18 -4.36 116.67 122.24 1jh5 s ASP 11 Ca 0.70 -2.11 0.00 0.00 0.43 0.00 0.00 52.55 51.57 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 0.36 -0.98 0.11 -1.54 -0.17 0.00 0.00 175.17 172.95 1jh5 n SER 12 N 6.06 0.27 -0.80 -0.34 3.41 -1.16 -2.82 113.62 118.24 1jh5 n SER 12 Ca 0.19 -0.36 0.03 0.00 -0.26 0.00 0.00 58.87 58.48 1jh5 n SER 12 Cb 0.48 -0.09 0.05 0.00 -0.26 0.00 0.00 64.21 64.39 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 0.54 0.32 -3.78 4.33 1.02 -1.26 -5.05 120.64 116.76 1jh5 n GLU 13 Ca 0.00 -1.78 -0.13 0.00 -0.02 0.00 0.00 57.16 55.24 1jh5 n GLU 13 Cb 0.06 -0.57 -0.09 0.00 -0.02 0.00 0.00 31.44 30.82 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 -0.69 0.07 0.51 2.62 -4.23 -1.13 -5.15 115.64 107.65 1jh5 s THR 14 Ca 0.20 -0.54 -0.23 0.00 -1.18 0.00 0.00 61.69 59.94 1jh5 s THR 14 Cb 0.21 -0.63 -0.06 0.00 1.34 0.00 0.00 72.50 73.36 1jh5 s THR 14 CO -0.06 -0.30 1.33 -2.84 -0.54 0.00 0.00 174.62 172.21 1jh5 s PRO 15 N -1.49 3.34 -0.20 3.99 0.02 -1.26 -4.87 135.00 134.53 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 -2.35 -0.02 0.00 0.02 0.00 0.00 34.50 32.09 1jh5 s PRO 15 CO 0.03 -1.01 1.49 0.95 -0.33 0.00 0.00 177.00 178.13 1jh5 s THR 16 N -1.33 3.88 0.13 0.99 -4.23 -1.26 -4.71 115.64 109.12 1jh5 s THR 16 Ca 0.68 1.02 -0.35 0.00 -1.18 0.00 0.00 61.69 61.86 1jh5 s THR 16 Cb -0.39 -3.82 -0.15 0.00 1.34 0.00 0.00 72.50 69.48 1jh5 s THR 16 CO 0.47 -0.27 1.40 -0.38 -0.54 0.00 0.00 174.62 175.30 1jh5 n ILE 17 N 6.04 0.18 -4.77 2.99 5.41 -0.59 -4.73 119.36 123.88 1jh5 n ILE 17 Ca 0.17 -0.04 -0.33 0.00 1.00 0.00 0.00 62.75 63.54 1jh5 n ILE 17 Cb 0.45 -1.11 -0.13 0.00 -0.71 0.00 0.00 39.64 38.14 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 0.45 3.04 -0.29 0.38 2.00 -1.26 -0.30 119.66 123.67 1jh5 s GLN 18 Ca 0.80 -0.66 -0.17 0.00 -2.00 0.00 0.00 55.36 53.34 1jh5 s GLN 18 Cb -0.83 -2.56 0.17 0.00 0.80 0.00 0.00 33.01 30.58 1jh5 s GLN 18 CO 0.45 0.41 1.08 0.21 -0.50 0.00 0.00 175.29 176.94 1jh5 s LYS 19 N -0.15 0.27 -1.47 1.67 2.20 -0.88 -4.96 119.74 116.41 1jh5 s LYS 19 Ca -0.00 0.45 -0.12 0.00 -0.36 0.00 0.00 55.97 55.94 1jh5 s LYS 19 Cb -0.13 0.06 0.06 0.00 -1.51 0.00 0.00 37.83 36.31 1jh5 s LYS 19 CO 0.03 -0.05 1.02 0.41 -0.36 0.00 0.00 175.35 176.40 1jh5 n GLY 20 N 3.39 -0.49 3.95 5.54 0.00 -1.26 -1.38 105.19 114.94 1jh5 n GLY 20 Ca -0.18 0.20 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.90 -4.35 -4.17 1.61 3.41 -1.26 -4.98 113.62 100.99 1jh5 n SER 21 Ca 0.01 -0.81 -0.20 0.00 -0.26 0.00 0.00 58.87 57.61 1jh5 n SER 21 Cb 0.55 -3.50 -0.13 0.00 -0.26 0.00 0.00 64.21 60.86 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 -0.15 7.33 1.51 -0.48 -3.62 117.35 119.99 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 -0.35 -0.76 -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 -0.95 4.10 -0.15 -0.71 2.01 0.63 -2.08 115.64 118.48 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 0.00 0.00 0.01 0.00 0.00 72.50 69.63 1jh5 s THR 23 CO 0.02 0.50 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.90 1jh5 s PHE 24 N 0.25 2.74 0.21 4.92 0.40 0.58 -1.34 117.98 125.75 1jh5 s PHE 24 Ca -0.01 -1.21 -0.31 0.00 -0.60 0.00 0.00 56.93 54.80 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 -0.56 1.47 0.08 0.70 0.00 0.00 175.22 176.93 1jh5 s VAL 25 N 0.88 2.71 -0.39 -0.44 1.01 -1.26 -1.54 120.40 121.37 1jh5 s VAL 25 Ca -0.05 0.56 -0.29 0.00 0.00 0.00 0.00 61.98 62.21 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 -0.02 0.07 1.30 -2.84 0.00 0.00 0.00 175.10 173.62 1jh5 s PRO 26 N 0.18 3.73 0.57 2.72 0.02 -1.26 -4.88 135.00 136.07 1jh5 s PRO 26 Ca 0.63 0.95 -0.06 0.00 0.02 0.00 0.00 61.00 62.54 1jh5 s PRO 26 Cb -0.42 -3.94 -0.00 0.00 0.02 0.00 0.00 34.50 30.16 1jh5 s PRO 26 CO 0.39 -1.37 0.88 -1.58 -0.33 0.00 0.00 177.00 174.99 1jh5 s TRP 27 N 4.83 3.33 -0.15 6.54 0.23 -1.26 0.52 118.94 132.98 1jh5 s TRP 27 Ca 0.56 0.70 -0.08 0.00 -2.03 0.00 0.00 56.10 55.26 1jh5 s TRP 27 Cb -0.13 -2.65 0.06 0.00 0.03 0.00 0.00 33.47 30.78 1jh5 s TRP 27 CO 0.29 -0.71 0.36 -1.17 0.96 0.00 0.00 176.95 176.68 1jh5 s LEU 28 N -4.95 -0.00 0.05 2.99 2.96 0.12 -4.60 118.68 115.25 1jh5 s LEU 28 Ca 0.53 0.79 -0.34 0.00 -0.22 0.00 0.00 54.13 54.89 1jh5 s LEU 28 Cb -0.10 1.16 -0.13 0.00 0.50 0.00 0.00 46.19 47.62 1jh5 s LEU 28 CO 0.45 -0.19 1.71 -0.11 -1.32 0.00 0.00 176.35 176.89 1jh5 n LEU 29 N 4.37 3.24 -0.09 -0.68 7.94 -1.26 -0.60 117.00 129.93 1jh5 n LEU 29 Ca -0.22 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 0.09 -0.19 -0.37 -1.28 -1.11 0.00 0.00 177.39 174.53 1jh5 h SER 30 N 7.34 0.00 -4.38 1.96 0.87 -1.13 -3.45 113.55 114.76 1jh5 h SER 30 Ca -0.46 -0.31 0.07 0.00 -1.23 0.00 0.00 61.79 59.86 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 0.49 0.72 -0.53 0.00 0.00 176.83 179.54 1jh5 s PHE 31 N -2.26 -0.39 -0.05 2.24 -0.12 -1.11 -5.01 117.98 111.28 1jh5 s PHE 31 Ca -0.21 0.55 0.00 0.00 -0.05 0.00 0.00 56.93 57.23 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 -0.44 -0.03 0.21 -0.05 0.00 0.00 175.22 175.33 1jh5 s LYS 32 N -1.76 0.77 -0.10 1.99 2.20 -1.26 -1.23 119.74 120.34 1jh5 s LYS 32 Ca -0.01 -0.05 0.01 0.00 -0.36 0.00 0.00 55.97 55.56 1jh5 s LYS 32 Cb -0.01 -0.87 0.02 0.00 -1.51 0.00 0.00 37.83 35.46 1jh5 s LYS 32 CO -0.01 -0.14 -0.10 0.50 -0.36 0.00 0.00 175.35 175.24 1jh5 s ARG 33 N 1.21 1.68 0.46 4.03 3.52 0.82 -5.01 118.95 125.66 1jh5 s ARG 33 Ca -0.07 -0.34 0.00 0.00 -0.13 0.00 0.00 55.73 55.19 1jh5 s ARG 33 Cb -0.14 -1.59 0.00 0.00 -1.56 0.00 0.00 34.95 31.66 1jh5 s ARG 33 CO -0.02 -0.17 0.00 0.41 -0.81 0.00 0.00 175.30 174.71 1jh5 n GLY 34 N 4.56 -1.80 0.00 8.12 0.00 -1.26 -0.72 105.19 114.10 1jh5 n GLY 34 Ca -0.16 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.03 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 4.95 0.23 1.61 3.41 -1.26 -4.75 113.62 117.95 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 1.00 0.82 0.00 -0.26 0.00 0.00 64.21 65.77 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 0.02 1.00 -3.38 7.33 0.00 -1.91 -3.43 119.26 118.88 1jh5 h ALA 36 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.60 1jh5 h ALA 36 Cb 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 17.59 1jh5 h ALA 36 CO 0.00 0.00 -0.75 -0.51 0.00 0.00 0.00 179.25 177.99 1jh5 s LEU 37 N -5.18 2.21 0.14 0.00 1.43 -1.26 -0.21 118.68 115.82 1jh5 s LEU 37 Ca -0.03 -0.47 -0.08 0.00 -1.03 0.00 0.00 54.13 52.53 1jh5 s LEU 37 Cb 0.09 -0.26 -0.01 0.00 0.03 0.00 0.00 46.19 46.03 1jh5 s LEU 37 CO 0.30 -0.12 0.24 -1.61 0.23 0.00 0.00 176.35 175.39 1jh5 s GLU 38 N -1.29 1.06 0.12 1.70 2.02 -0.68 -4.93 118.70 116.70 1jh5 s GLU 38 Ca -0.06 -1.16 -0.11 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 34.44 1jh5 s GLU 38 CO 0.01 -0.37 0.46 -1.21 0.02 0.00 0.00 175.26 174.16 1jh5 s GLU 39 N -3.96 3.82 -0.29 1.61 2.02 -1.26 0.07 118.70 120.71 1jh5 s GLU 39 Ca 0.15 0.25 0.03 0.00 0.02 0.00 0.00 54.97 55.43 1jh5 s GLU 39 Cb 0.04 -2.92 0.20 0.00 0.10 0.00 0.00 34.13 31.54 1jh5 s GLU 39 CO -0.02 0.50 0.60 0.21 0.02 0.00 0.00 175.26 176.57 1jh5 s LYS 40 N -2.10 0.56 -1.16 1.61 2.20 0.49 -4.81 119.74 116.53 1jh5 s LYS 40 Ca 0.37 0.71 -0.19 0.00 -0.36 0.00 0.00 55.97 56.50 1jh5 s LYS 40 Cb -0.14 0.36 -0.01 0.00 -1.51 0.00 0.00 37.83 36.53 1jh5 s LYS 40 CO 0.19 -0.87 0.77 0.39 -0.36 0.00 0.00 175.35 175.47 1jh5 n GLU 41 N 5.42 -1.50 -1.62 4.03 1.02 -1.26 -1.64 120.64 125.09 1jh5 n GLU 41 Ca 0.03 0.47 -0.19 0.00 -0.02 0.00 0.00 57.16 57.44 1jh5 n GLU 41 Cb 0.53 -4.22 -0.08 0.00 -0.02 0.00 0.00 31.44 27.65 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 -5.30 -4.21 1.62 4.05 -1.26 -4.97 115.26 102.47 1jh5 n ASN 42 Ca -0.11 0.43 -0.12 0.00 0.45 0.00 0.00 54.58 55.22 1jh5 n ASN 42 Cb 0.60 -4.46 -0.10 0.00 1.23 0.00 0.00 39.78 37.05 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 -3.72 0.97 -0.23 1.20 1.02 -0.65 -4.84 119.74 113.49 1jh5 s LYS 43 Ca 0.00 -1.42 -0.13 0.00 0.02 0.00 0.00 55.97 54.44 1jh5 s LYS 43 Cb 0.00 -0.31 -0.05 0.00 -0.52 0.00 0.00 37.83 36.95 1jh5 s LYS 43 CO 0.00 -0.03 0.26 0.42 -0.92 0.00 0.00 175.35 175.07 1jh5 s ILE 44 N -3.57 5.29 -0.20 2.17 1.01 -0.25 -0.38 121.20 125.26 1jh5 s ILE 44 Ca 0.17 0.39 -0.10 0.00 0.00 0.00 0.00 60.65 61.10 1jh5 s ILE 44 Cb 0.05 -3.59 -0.05 0.00 0.01 0.00 0.00 42.46 38.88 1jh5 s ILE 44 CO -0.01 0.29 0.15 -0.22 0.00 0.00 0.00 174.94 175.16 1jh5 s LEU 45 N 1.25 4.20 -0.23 2.97 2.96 0.11 -0.32 118.68 129.62 1jh5 s LEU 45 Ca 0.12 0.24 -0.24 0.00 -0.22 0.00 0.00 54.13 54.03 1jh5 s LEU 45 Cb -0.14 -2.12 -0.01 0.00 0.50 0.00 0.00 46.19 44.42 1jh5 s LEU 45 CO 0.06 0.15 0.80 -0.69 -1.32 0.00 0.00 176.35 175.36 1jh5 s VAL 46 N 0.47 4.87 -1.03 1.68 1.01 -0.14 -1.69 120.40 125.57 1jh5 s VAL 46 Ca 0.09 1.52 0.19 0.00 0.00 0.00 0.00 61.98 63.78 1jh5 s VAL 46 Cb -0.12 -4.09 -0.19 0.00 0.00 0.00 0.00 36.38 31.99 1jh5 s VAL 46 CO -0.01 -0.04 0.85 0.29 0.00 0.00 0.00 175.10 176.19 1jh5 n LYS 47 N 5.84 0.69 -3.71 2.72 4.76 0.71 -0.28 118.16 128.88 1jh5 n LYS 47 Ca 0.04 -0.11 -0.14 0.00 -2.87 0.00 0.00 58.31 55.23 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 -2.77 0.12 0.54 1.97 2.02 -1.23 -4.79 118.70 114.57 1jh5 s GLU 48 Ca 0.08 0.52 -0.19 0.00 0.02 0.00 0.00 54.97 55.40 1jh5 s GLU 48 Cb 0.15 -0.16 -0.06 0.00 0.10 0.00 0.00 34.13 34.16 1jh5 s GLU 48 CO 0.76 -0.21 1.12 0.95 0.02 0.00 0.00 175.26 177.90 1jh5 s THR 49 N 1.62 3.25 -4.09 3.63 -4.23 -1.26 -4.55 115.64 110.01 1jh5 s THR 49 Ca -0.05 0.77 0.00 0.00 -1.18 0.00 0.00 61.69 61.23 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 -0.07 -0.18 0.00 0.61 -0.54 0.00 0.00 174.62 174.44 1jh5 n GLY 50 N 0.07 -0.87 3.67 3.99 0.00 0.02 -4.93 105.19 107.14 1jh5 n GLY 50 Ca 0.11 -1.08 -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 -0.94 117.35 118.68 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 -2.16 -0.03 0.00 -0.11 0.00 0.00 41.96 39.65 1jh5 s TYR 51 CO 0.00 0.17 -0.21 -0.06 -1.11 0.00 0.00 175.55 174.35 1jh5 s PHE 52 N 0.57 1.78 -0.24 2.71 0.40 -0.34 -0.89 117.98 121.97 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 -1.00 -0.05 0.00 0.51 0.00 0.00 43.02 42.36 1jh5 s PHE 52 CO 0.00 0.17 0.22 0.12 0.70 0.00 0.00 175.22 176.43 1jh5 s PHE 53 N -1.04 3.31 -0.09 0.36 5.36 0.62 -1.33 117.98 125.16 1jh5 s PHE 53 Ca 0.06 0.29 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 40.24 1jh5 s PHE 53 CO 0.03 0.01 -0.22 0.42 -1.46 0.00 0.00 175.22 174.00 1jh5 s ILE 54 N 1.25 1.88 0.31 3.12 1.01 0.94 -0.51 121.20 129.20 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 0.10 -0.72 0.00 0.00 0.00 174.94 174.90 1jh5 s TYR 55 N 0.33 1.73 0.00 3.97 -0.85 -1.26 -1.06 117.35 120.20 1jh5 s TYR 55 Ca -0.16 -1.14 0.00 0.00 -0.52 0.00 0.00 57.07 55.25 1jh5 s TYR 55 Cb -0.17 -1.06 0.00 0.00 0.38 0.00 0.00 41.96 41.11 1jh5 s TYR 55 CO 0.07 -0.23 0.00 0.41 -1.52 0.00 0.00 175.55 174.28 1jh5 n GLY 56 N -0.62 1.65 3.07 5.49 0.00 -0.88 0.16 105.19 114.06 1jh5 n GLY 56 Ca -0.01 0.05 -0.16 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.97 0.61 -0.00 1.61 0.74 -0.50 -2.24 119.66 118.92 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 -0.50 -0.00 0.00 1.10 0.00 0.00 33.01 33.61 1jh5 s GLN 57 CO 0.00 0.11 -0.01 0.08 -0.55 0.00 0.00 175.29 174.92 1jh5 s VAL 58 N -0.99 0.09 -0.35 1.34 1.01 -1.08 -1.12 120.40 119.29 1jh5 s VAL 58 Ca -0.04 -0.07 -0.13 0.00 0.00 0.00 0.00 61.98 61.73 1jh5 s VAL 58 Cb -0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 36.38 36.21 1jh5 s VAL 58 CO 0.01 0.01 0.24 -0.22 0.00 0.00 0.00 175.10 175.14 1jh5 s LEU 59 N -0.07 4.61 -0.17 3.92 0.20 -1.25 -0.78 118.68 125.14 1jh5 s LEU 59 Ca -0.00 -0.57 -0.18 0.00 0.69 0.00 0.00 54.13 54.07 1jh5 s LEU 59 Cb -0.01 -2.12 -0.04 0.00 -0.43 0.00 0.00 46.19 43.60 1jh5 s LEU 59 CO -0.00 -0.29 0.49 -0.31 -0.29 0.00 0.00 176.35 175.95 1jh5 s TYR 60 N 1.69 3.42 -0.07 5.38 1.51 -1.26 -1.88 117.35 126.14 1jh5 s TYR 60 Ca 0.05 0.79 0.10 0.00 -1.01 0.00 0.00 57.07 57.01 1jh5 s TYR 60 Cb -0.18 -2.61 0.16 0.00 -0.11 0.00 0.00 41.96 39.23 1jh5 s TYR 60 CO 0.10 0.01 1.08 0.25 -1.11 0.00 0.00 175.55 175.87 1jh5 n THR 61 N 4.19 1.46 -3.19 -0.71 -2.24 0.20 -1.62 114.28 112.38 1jh5 n THR 61 Ca -0.06 -1.67 -0.33 0.00 -2.27 0.00 0.00 64.05 59.71 1jh5 n THR 61 Cb 0.51 0.10 -0.06 0.00 -2.10 0.00 0.00 70.33 68.78 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 -2.02 6.80 -0.24 3.42 3.68 -0.78 -4.60 116.67 122.94 1jh5 s ASP 62 Ca 0.18 1.23 0.14 0.00 2.13 0.00 0.00 52.55 56.23 1jh5 s ASP 62 Cb 0.15 -2.35 0.61 0.00 -1.45 0.00 0.00 42.92 39.88 1jh5 s ASP 62 CO 0.02 -0.12 1.56 2.29 0.13 0.00 0.00 175.17 179.04 1jh5 n LYS 63 N -0.06 3.17 -1.52 4.34 2.85 -1.26 -4.74 118.16 120.93 1jh5 n LYS 63 Ca 0.01 -2.99 -0.38 0.00 -1.05 0.00 0.00 58.31 53.90 1jh5 n LYS 63 Cb 0.53 -1.98 -0.03 0.00 -0.65 0.00 0.00 35.03 32.90 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 -0.40 4.58 0.00 0.58 -2.24 -1.26 -4.74 114.28 110.79 1jh5 n THR 64 Ca 0.29 -3.12 0.00 0.00 -2.27 0.00 0.00 64.05 58.95 1jh5 n THR 64 Cb 1.07 -2.41 0.00 0.00 -2.10 0.00 0.00 70.33 66.89 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 2.91 0.00 -3.51 4.78 0.18 -1.26 -4.57 117.16 115.69 1jh5 n TYR 65 Ca 0.72 0.00 0.00 0.00 1.88 0.00 0.00 57.90 60.51 1jh5 n TYR 65 Cb 0.26 -0.09 -0.03 0.00 -0.38 0.00 0.00 39.34 39.09 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 -2.23 0.39 -3.48 0.00 -1.26 -1.24 121.76 113.93 1jh5 s ALA 66 Ca 0.00 2.19 0.07 0.00 0.00 0.00 0.00 51.96 54.23 1jh5 s ALA 66 Cb 0.00 -1.91 -0.07 0.00 0.00 0.00 0.00 23.12 21.14 1jh5 s ALA 66 CO 0.00 -1.01 -0.01 -1.64 0.00 0.00 0.00 175.76 173.10 1jh5 s MET 67 N 2.82 1.90 0.00 0.00 -1.94 -0.31 -4.93 119.30 116.84 1jh5 s MET 67 Ca -0.01 -2.05 0.00 0.00 -1.71 0.00 0.00 55.69 51.92 1jh5 s MET 67 Cb -0.11 -1.59 0.00 0.00 2.01 0.00 0.00 34.83 35.14 1jh5 s MET 67 CO -0.19 -0.02 0.00 0.41 -0.01 0.00 0.00 175.02 175.22 1jh5 n GLY 68 N -0.90 1.31 3.27 -0.03 0.00 -1.26 0.00 105.19 107.58 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 1.34 0.04 1.61 -3.43 -1.10 -4.21 115.29 107.55 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 -0.76 -0.03 0.00 -1.43 0.00 0.00 32.58 30.36 1jh5 s HIS 69 CO 0.00 -0.32 -0.21 -0.51 -2.00 0.00 0.00 174.74 171.70 1jh5 s LEU 70 N -3.23 2.17 -0.34 5.38 1.43 0.14 -1.75 118.68 122.48 1jh5 s LEU 70 Ca 0.31 -0.53 -0.06 0.00 -1.03 0.00 0.00 54.13 52.83 1jh5 s LEU 70 Cb 0.07 -0.99 0.05 0.00 0.03 0.00 0.00 46.19 45.34 1jh5 s LEU 70 CO 0.09 0.17 0.09 -0.63 0.23 0.00 0.00 176.35 176.30 1jh5 s ILE 71 N -0.80 3.63 0.22 -0.59 1.01 -1.22 -0.58 121.20 122.87 1jh5 s ILE 71 Ca 0.08 -1.22 0.08 0.00 0.00 0.00 0.00 60.65 59.58 1jh5 s ILE 71 Cb -0.09 -3.09 -0.04 0.00 0.01 0.00 0.00 42.46 39.26 1jh5 s ILE 71 CO 0.02 -0.20 0.06 -1.10 0.00 0.00 0.00 174.94 173.73 1jh5 s GLN 72 N 1.37 2.57 -0.07 2.79 -0.21 0.34 -0.82 119.66 125.62 1jh5 s GLN 72 Ca -0.02 -1.15 0.04 0.00 0.02 0.00 0.00 55.36 54.26 1jh5 s GLN 72 Cb -0.20 -2.39 -0.00 0.00 1.00 0.00 0.00 33.01 31.42 1jh5 s GLN 72 CO 0.02 0.42 -0.21 0.50 -2.12 0.00 0.00 175.29 173.90 1jh5 s ARG 73 N -3.39 2.42 -0.47 2.91 3.52 0.15 -1.68 118.95 122.41 1jh5 s ARG 73 Ca 0.30 -0.76 -0.09 0.00 -0.13 0.00 0.00 55.73 55.05 1jh5 s ARG 73 Cb -0.08 -1.96 0.12 0.00 -1.56 0.00 0.00 34.95 31.47 1jh5 s ARG 73 CO 0.21 0.23 0.34 0.15 -0.81 0.00 0.00 175.30 175.42 1jh5 s LYS 74 N 0.17 2.49 0.32 5.12 1.02 -0.17 -0.91 119.74 127.78 1jh5 s LYS 74 Ca -0.10 -1.74 -0.29 0.00 0.02 0.00 0.00 55.97 53.85 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 -1.18 1.58 1.63 -0.92 0.00 0.00 175.35 176.51 1jh5 n LYS 75 N 4.91 2.73 0.10 1.68 5.02 0.73 -2.92 118.16 130.41 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 32.53 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 3.26 1.35 -3.11 -0.18 2.07 -1.88 -3.45 116.25 114.31 1jh5 h VAL 76 Ca -0.48 -2.54 -0.65 0.00 0.82 0.00 0.00 66.70 63.85 1jh5 h VAL 76 Cb 1.23 2.95 -0.09 0.00 -1.52 0.00 0.00 31.29 33.86 1jh5 h VAL 76 CO 0.75 0.75 -0.58 -1.00 0.02 0.00 0.00 177.57 177.52 1jh5 s HIS 77 N -2.71 3.28 0.05 1.57 3.76 -1.26 -5.07 115.29 114.91 1jh5 s HIS 77 Ca -0.11 0.17 0.00 0.00 -0.15 0.00 0.00 55.06 54.98 1jh5 s HIS 77 Cb 0.04 -1.70 0.00 0.00 1.11 0.00 0.00 32.58 32.02 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 0.87 0.41 -0.59 -0.90 0.31 -1.26 -4.99 118.33 112.18 1jh5 n VAL 78 Ca -0.11 0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1jh5 n VAL 78 Cb 0.52 -1.07 0.00 0.00 -0.91 0.00 0.00 33.84 32.38 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 -2.89 -0.71 -0.02 3.52 3.01 -1.26 -4.61 117.46 114.51 1jh5 n PHE 79 Ca 0.00 0.41 0.00 0.00 1.01 0.00 0.00 57.45 58.87 1jh5 n PHE 79 Cb 0.00 -2.12 0.00 0.00 -0.01 0.00 0.00 39.48 37.35 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 0.09 2.91 2.07 1.37 0.00 -1.26 -2.31 105.19 108.07 1jh5 n GLY 80 Ca 0.00 -0.03 -0.21 0.00 0.00 0.00 0.00 46.02 45.78 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 2.34 3.70 -4.78 1.61 5.75 -1.26 -4.97 116.55 118.93 1jh5 n ASP 81 Ca 0.00 -3.40 -0.35 0.00 -0.01 0.00 0.00 54.79 51.03 1jh5 n ASP 81 Cb 0.00 -0.80 -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 -2.88 3.58 -0.11 0.11 2.02 -0.98 -5.00 118.70 115.44 1jh5 s GLU 82 Ca 0.50 1.53 -0.17 0.00 0.02 0.00 0.00 54.97 56.85 1jh5 s GLU 82 Cb 0.42 -2.09 -0.04 0.00 0.10 0.00 0.00 34.13 32.51 1jh5 s GLU 82 CO 0.09 -0.65 0.43 -0.51 0.02 0.00 0.00 175.26 174.65 1jh5 s LEU 83 N -3.57 4.29 0.00 1.80 1.02 -1.26 -4.93 118.68 116.03 1jh5 s LEU 83 Ca 0.69 0.77 0.27 0.00 0.02 0.00 0.00 54.13 55.88 1jh5 s LEU 83 Cb -0.22 -2.61 1.46 0.00 0.02 0.00 0.00 46.19 44.85 1jh5 s LEU 83 CO 0.25 0.06 1.95 -1.54 0.02 0.00 0.00 176.35 177.10 1jh5 n SER 84 N 3.42 0.00 -4.10 2.29 3.41 -1.26 -4.51 113.62 112.87 1jh5 n SER 84 Ca -0.09 -0.35 -0.33 0.00 -0.26 0.00 0.00 58.87 57.84 1jh5 n SER 84 Cb 0.52 -0.20 -0.14 0.00 -0.26 0.00 0.00 64.21 64.13 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 -2.39 4.07 -0.08 1.04 1.98 -1.26 -0.19 118.68 121.84 1jh5 s LEU 85 Ca 0.31 -1.59 -0.00 0.00 -2.89 0.00 0.00 54.13 49.95 1jh5 s LEU 85 Cb 0.18 -1.65 -0.03 0.00 0.66 0.00 0.00 46.19 45.36 1jh5 s LEU 85 CO 0.38 -0.29 -0.05 -0.69 -1.89 0.00 0.00 176.35 173.82 1jh5 s VAL 86 N 1.11 3.89 -0.26 1.68 1.01 -0.09 -4.95 120.40 122.79 1jh5 s VAL 86 Ca -0.02 -0.40 -0.07 0.00 0.00 0.00 0.00 61.98 61.50 1jh5 s VAL 86 Cb -0.20 -2.62 -0.01 0.00 0.00 0.00 0.00 36.38 33.55 1jh5 s VAL 86 CO -0.04 0.59 0.06 0.42 0.00 0.00 0.00 175.10 176.12 1jh5 s THR 87 N -0.68 4.04 0.01 3.92 -4.23 -1.26 0.34 115.64 117.77 1jh5 s THR 87 Ca 0.10 -0.42 -0.06 0.00 -1.18 0.00 0.00 61.69 60.13 1jh5 s THR 87 Cb -0.11 -2.96 -0.05 0.00 1.34 0.00 0.00 72.50 70.72 1jh5 s THR 87 CO 0.02 0.25 0.26 -0.76 -0.54 0.00 0.00 174.62 173.85 1jh5 s LEU 88 N 1.55 4.37 0.00 4.79 1.02 0.00 -4.93 118.68 125.48 1jh5 s LEU 88 Ca 0.05 0.55 0.00 0.00 0.02 0.00 0.00 54.13 54.75 1jh5 s LEU 88 Cb -0.16 -2.68 0.00 0.00 0.02 0.00 0.00 46.19 43.38 1jh5 s LEU 88 CO 0.02 0.25 0.00 0.49 0.02 0.00 0.00 176.35 177.13 1jh5 n PHE 89 N 1.10 0.00 -1.20 0.29 0.99 -1.26 -3.37 117.46 114.00 1jh5 n PHE 89 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.34 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 -3.28 -4.37 -1.08 0.63 -1.26 -4.93 116.66 102.37 1jh5 n ARG 90 Ca 0.00 2.39 -0.19 0.00 -0.92 0.00 0.00 57.85 59.13 1jh5 n ARG 90 Cb 0.00 -2.59 -0.10 0.00 0.45 0.00 0.00 32.46 30.21 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 0.20 -0.19 0.00 1.01 -1.26 -2.70 121.20 114.94 1jh5 s ILE 92 Ca 0.31 -1.30 -0.07 0.00 0.00 0.00 0.00 60.65 59.58 1jh5 s ILE 92 Cb 0.06 -0.82 0.09 0.00 0.01 0.00 0.00 42.46 41.80 1jh5 s ILE 92 CO 0.11 -0.70 0.40 -1.10 0.00 0.00 0.00 174.94 173.65 1jh5 s GLN 93 N -2.50 0.30 0.52 2.79 -1.52 0.10 -4.96 119.66 114.39 1jh5 s GLN 93 Ca -0.06 1.00 -0.22 0.00 -1.95 0.00 0.00 55.36 54.13 1jh5 s GLN 93 Cb -0.03 0.29 -0.06 0.00 -0.22 0.00 0.00 33.01 32.99 1jh5 s GLN 93 CO -0.05 -0.25 1.35 -0.80 -0.25 0.00 0.00 175.29 175.29 1jh5 s ASN 94 N 2.58 5.46 0.13 5.90 0.01 -1.26 -1.17 114.94 126.59 1jh5 s ASN 94 Ca -0.01 2.74 0.08 0.00 -0.71 0.00 0.00 52.86 54.96 1jh5 s ASN 94 Cb -0.12 -2.64 -0.04 0.00 0.41 0.00 0.00 41.25 38.86 1jh5 s ASN 94 CO -0.12 -1.44 -0.13 -0.04 -1.51 0.00 0.00 177.10 173.86 1jh5 s MET 95 N -2.81 1.99 0.00 -0.60 -1.94 -0.37 -4.85 119.30 110.73 1jh5 s MET 95 Ca 0.69 -1.13 0.00 0.00 -1.71 0.00 0.00 55.69 53.54 1jh5 s MET 95 Cb -0.40 -2.21 0.00 0.00 2.01 0.00 0.00 34.83 34.24 1jh5 s MET 95 CO 0.48 0.48 0.00 -2.30 -0.01 0.00 0.00 175.02 173.67 1jh5 n PRO 96 N 0.58 -0.05 -0.01 2.03 -0.02 -1.26 -4.27 135.00 132.00 1jh5 n PRO 96 Ca -0.14 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.36 1jh5 n PRO 96 Cb 0.53 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.97 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 -0.99 0.80 0.00 -0.52 2.13 -1.26 -4.55 120.64 116.25 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 -1.14 0.00 0.00 0.27 0.00 0.00 31.44 30.57 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 -1.80 0.00 -3.42 6.31 -2.24 -1.26 -4.85 114.28 107.02 1jh5 n THR 98 Ca -0.03 0.35 -0.31 0.00 -2.27 0.00 0.00 64.05 61.80 1jh5 n THR 98 Cb 0.26 -1.25 -0.07 0.00 -2.10 0.00 0.00 70.33 67.17 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 -1.99 4.19 -4.68 3.22 4.77 -1.26 -5.06 117.00 116.19 1jh5 n LEU 99 Ca 0.00 -5.36 -0.60 0.00 -0.03 0.00 0.00 56.01 50.02 1jh5 n LEU 99 Cb 0.00 -0.82 -0.08 0.00 -2.33 0.00 0.00 43.42 40.19 1jh5 n LEU 99 CO 0.00 1.92 1.13 -2.65 -1.33 0.00 0.00 177.39 176.47 1jh5 n PRO 100 N 1.16 0.68 -2.81 3.23 -0.02 -1.26 -4.92 135.00 131.06 1jh5 n PRO 100 Ca 0.28 0.25 -0.03 0.00 -2.02 0.00 0.00 63.50 61.98 1jh5 n PRO 100 Cb 0.39 -1.85 0.01 0.00 -0.02 0.00 0.00 33.50 32.03 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 2.56 -1.06 -0.07 2.55 0.01 -1.15 -4.42 114.94 113.35 1jh5 s ASN 101 Ca 0.98 -1.09 -0.02 0.00 -0.71 0.00 0.00 52.86 52.01 1jh5 s ASN 101 Cb -1.21 1.38 -0.03 0.00 0.41 0.00 0.00 41.25 41.80 1jh5 s ASN 101 CO 0.67 -0.06 -0.08 0.59 -1.51 0.00 0.00 177.10 176.71 1jh5 n ASN 102 N 3.13 1.38 -1.92 -1.22 3.02 -0.64 -4.97 115.26 114.05 1jh5 n ASN 102 Ca 0.14 0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.74 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 -3.13 -9.73 -3.70 6.41 2.88 -1.22 -4.81 113.62 100.31 1jh5 n SER 103 Ca -0.13 1.40 -0.12 0.00 -1.33 0.00 0.00 58.87 58.68 1jh5 n SER 103 Cb 0.61 -5.28 -0.12 0.00 -0.75 0.00 0.00 64.21 58.67 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 1.63 3.12 -0.16 0.00 5.04 -1.26 -2.62 117.35 123.10 1jh5 s TYR 105 Ca -0.07 0.09 -0.27 0.00 -2.44 0.00 0.00 57.07 54.38 1jh5 s TYR 105 Cb -0.10 -1.65 0.07 0.00 0.35 0.00 0.00 41.96 40.62 1jh5 s TYR 105 CO -0.10 0.49 0.68 0.45 -1.34 0.00 0.00 175.55 175.74 1jh5 s SER 106 N -1.85 -0.69 0.20 4.32 0.15 -0.95 -5.01 113.70 109.86 1jh5 s SER 106 Ca 0.23 1.08 -0.18 0.00 0.70 0.00 0.00 55.95 57.78 1jh5 s SER 106 Cb -0.12 1.02 0.03 0.00 -1.71 0.00 0.00 66.02 65.24 1jh5 s SER 106 CO 0.14 -0.41 0.53 0.00 1.20 0.00 0.00 173.24 174.70 1jh5 s ALA 107 N -0.35 -0.93 0.09 5.45 0.00 -1.26 -2.06 121.76 122.70 1jh5 s ALA 107 Ca -0.05 -0.23 -0.25 0.00 0.00 0.00 0.00 51.96 51.43 1jh5 s ALA 107 Cb -0.03 0.86 0.08 0.00 0.00 0.00 0.00 23.12 24.04 1jh5 s ALA 107 CO 0.05 -0.81 1.15 0.20 0.00 0.00 0.00 175.76 176.35 1jh5 s GLY 108 N -2.88 0.02 -0.03 0.00 0.00 -0.23 -4.99 107.32 99.22 1jh5 s GLY 108 Ca 0.09 -0.19 0.03 0.00 0.00 0.00 0.00 44.72 44.66 1jh5 s GLY 108 CO -0.02 4.06 -0.11 -0.42 0.00 0.00 0.00 173.10 176.60 1jh5 s ILE 109 N -2.06 3.30 0.04 0.90 1.01 -1.26 -0.04 121.20 123.09 1jh5 s ILE 109 Ca 0.26 -0.73 -0.13 0.00 0.00 0.00 0.00 60.65 60.05 1jh5 s ILE 109 Cb -0.02 -2.35 0.02 0.00 0.01 0.00 0.00 42.46 40.12 1jh5 s ILE 109 CO 0.03 0.52 0.28 0.00 0.00 0.00 0.00 174.94 175.77 1jh5 s ALA 110 N -0.83 -0.61 -0.13 9.38 0.00 -0.45 -4.99 121.76 124.13 1jh5 s ALA 110 Ca 0.13 -0.06 -0.14 0.00 0.00 0.00 0.00 51.96 51.89 1jh5 s ALA 110 Cb -0.11 0.31 -0.05 0.00 0.00 0.00 0.00 23.12 23.28 1jh5 s ALA 110 CO 0.03 -0.40 0.33 0.21 0.00 0.00 0.00 175.76 175.92 1jh5 s LYS 111 N -2.55 4.17 0.22 0.00 2.20 -1.26 -1.20 119.74 121.32 1jh5 s LYS 111 Ca -0.05 0.18 0.06 0.00 -0.36 0.00 0.00 55.97 55.80 1jh5 s LYS 111 Cb -0.01 -3.38 -0.05 0.00 -1.51 0.00 0.00 37.83 32.88 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 2.46 0.17 5.43 1.43 -0.12 -4.99 118.68 123.25 1jh5 s LEU 112 Ca 0.19 -1.10 0.07 0.00 -1.03 0.00 0.00 54.13 52.26 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 0.06 -0.31 -0.14 -1.61 0.23 0.00 0.00 176.35 174.58 1jh5 s GLU 113 N -3.73 1.19 -0.14 1.70 2.02 -1.26 -0.80 118.70 117.68 1jh5 s GLU 113 Ca 0.24 -1.45 -0.40 0.00 0.02 0.00 0.00 54.97 53.38 1jh5 s GLU 113 Cb 0.02 -0.98 -0.18 0.00 0.10 0.00 0.00 34.13 33.09 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 -0.03 0.71 0.00 1.61 1.02 -1.26 -0.47 120.64 122.22 1jh5 n GLU 114 Ca -0.11 0.26 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 1jh5 n GLU 114 Cb 0.59 -1.86 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 3.07 3.75 0.62 0.00 0.62 -4.84 105.19 111.44 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 -1.12 4.95 -0.01 1.61 1.01 0.38 -4.61 116.67 118.88 1jh5 s ASP 116 Ca 0.00 2.21 0.05 0.00 0.71 0.00 0.00 52.55 55.52 1jh5 s ASP 116 Cb 0.00 -2.58 -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 -3.76 1.30 0.02 8.23 2.02 -1.15 -0.96 118.70 124.40 1jh5 s GLU 117 Ca 0.72 -0.62 0.03 0.00 0.02 0.00 0.00 54.97 55.13 1jh5 s GLU 117 Cb -0.26 -1.27 -0.04 0.00 0.10 0.00 0.00 34.13 32.67 1jh5 s GLU 117 CO 0.39 0.35 -0.04 -0.51 0.02 0.00 0.00 175.26 175.47 1jh5 s LEU 118 N -0.48 3.32 0.04 1.80 1.43 0.57 -1.00 118.68 124.36 1jh5 s LEU 118 Ca 0.06 -0.11 -0.15 0.00 -1.03 0.00 0.00 54.13 52.90 1jh5 s LEU 118 Cb -0.07 -1.94 0.02 0.00 0.03 0.00 0.00 46.19 44.24 1jh5 s LEU 118 CO -0.00 0.26 0.34 0.00 0.23 0.00 0.00 176.35 177.18 1jh5 s GLN 119 N -1.62 0.83 -0.22 1.70 -2.07 -0.68 -1.09 119.66 116.50 1jh5 s GLN 119 Ca 0.19 -0.43 -0.05 0.00 -1.82 0.00 0.00 55.36 53.25 1jh5 s GLN 119 Cb -0.11 0.36 -0.01 0.00 -1.09 0.00 0.00 33.01 32.16 1jh5 s GLN 119 CO 0.10 -0.27 -0.02 -1.17 -1.32 0.00 0.00 175.29 172.62 1jh5 s LEU 120 N -1.97 3.04 -0.00 2.60 1.98 -1.26 -0.50 118.68 122.57 1jh5 s LEU 120 Ca -0.06 -0.33 0.05 0.00 -2.89 0.00 0.00 54.13 50.90 1jh5 s LEU 120 Cb -0.01 -1.78 -0.01 0.00 0.66 0.00 0.00 46.19 45.04 1jh5 s LEU 120 CO -0.02 -0.01 -0.16 0.00 -1.89 0.00 0.00 176.35 174.27 1jh5 s ALA 121 N 1.41 1.33 -0.27 5.97 0.00 0.25 -4.48 121.76 125.98 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 -0.14 -0.32 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 1jh5 s ALA 121 CO -0.01 0.32 0.06 0.42 0.00 0.00 0.00 175.76 176.55 1jh5 s ILE 122 N -0.46 4.04 -0.51 0.00 1.01 -0.45 0.25 121.20 125.08 1jh5 s ILE 122 Ca 0.06 -0.45 -0.05 0.00 0.00 0.00 0.00 60.65 60.21 1jh5 s ILE 122 Cb -0.07 -2.97 -0.10 0.00 0.01 0.00 0.00 42.46 39.33 1jh5 s ILE 122 CO -0.00 0.23 2.23 -2.65 0.00 0.00 0.00 174.94 174.75 1jh5 n PRO 123 N 4.88 1.70 -3.78 2.79 -0.02 -1.26 -0.27 135.00 139.04 1jh5 n PRO 123 Ca -0.16 -1.07 -0.11 0.00 -2.02 0.00 0.00 63.50 60.15 1jh5 n PRO 123 Cb 0.50 -2.15 -0.07 0.00 -0.02 0.00 0.00 33.50 31.75 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 2.64 0.82 -0.04 -0.52 0.52 -1.24 -4.98 118.95 116.15 1jh5 s ARG 124 Ca 0.40 -0.65 -0.26 0.00 -0.52 0.00 0.00 55.73 54.71 1jh5 s ARG 124 Cb 0.14 0.35 -0.20 0.00 0.52 0.00 0.00 34.95 35.75 1jh5 s ARG 124 CO -0.02 -0.26 1.13 0.93 0.02 0.00 0.00 175.30 177.10 1jh5 h GLU 125 N 3.09 -0.04 -2.04 3.54 5.08 -1.86 -1.29 114.58 121.06 1jh5 h GLU 125 Ca -0.32 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 0.49 0.51 -1.09 0.09 -1.00 0.00 0.00 179.01 178.01 1jh5 n ASN 126 N -4.83 1.20 -4.57 1.42 4.13 -1.26 -4.52 115.26 106.83 1jh5 n ASN 126 Ca -0.09 -3.03 -0.52 0.00 1.68 0.00 0.00 54.58 52.62 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 0.51 -1.42 -2.72 5.41 0.00 -1.26 -4.87 120.51 116.16 1jh5 n ALA 127 Ca 0.25 0.52 -0.42 0.00 0.00 0.00 0.00 53.44 53.78 1jh5 n ALA 127 Cb 0.59 -2.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.01 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 3.16 0.25 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 53.79 1jh5 s GLN 128 Cb -0.98 -4.20 -0.05 0.00 -0.22 0.00 0.00 33.01 27.56 1jh5 s GLN 128 CO 0.50 -1.94 -0.20 0.42 -0.25 0.00 0.00 175.29 173.83 1jh5 s ILE 129 N 4.75 2.30 -0.22 1.08 1.09 -1.26 -0.62 121.20 128.31 1jh5 s ILE 129 Ca 0.28 -2.29 -0.09 0.00 -1.10 0.00 0.00 60.65 57.45 1jh5 s ILE 129 Cb -0.13 -2.20 -0.05 0.00 -1.06 0.00 0.00 42.46 39.02 1jh5 s ILE 129 CO 0.13 -0.38 0.13 -0.55 -0.10 0.00 0.00 174.94 174.16 1jh5 s SER 130 N -3.30 5.94 -0.47 3.58 0.15 -0.79 -4.86 113.70 113.96 1jh5 s SER 130 Ca 0.26 0.10 0.02 0.00 0.70 0.00 0.00 55.95 57.03 1jh5 s SER 130 Cb -0.05 -2.06 0.52 0.00 -1.71 0.00 0.00 66.02 62.73 1jh5 s SER 130 CO 0.12 0.10 1.90 0.18 1.20 0.00 0.00 173.24 176.74 1jh5 n LEU 131 N 4.06 6.74 -4.79 3.45 4.32 -1.26 -4.53 117.00 124.99 1jh5 n LEU 131 Ca -0.16 -3.63 -0.38 0.00 -0.02 0.00 0.00 56.01 51.82 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 0.44 -1.81 -1.22 0.00 0.00 177.39 176.29 1jh5 s ASP 132 N -1.17 7.25 0.48 -1.43 -0.00 -1.26 -2.96 116.67 117.58 1jh5 s ASP 132 Ca 0.53 1.53 0.23 0.00 -0.00 0.00 0.00 52.55 54.84 1jh5 s ASP 132 Cb 0.43 -2.46 1.27 0.00 -0.00 0.00 0.00 42.92 42.16 1jh5 s ASP 132 CO 0.06 0.16 1.92 1.23 -0.00 0.00 0.00 175.17 178.54 1jh5 h GLY 133 N 4.07 0.37 0.43 0.21 0.00 -1.84 -2.32 103.07 104.00 1jh5 h GLY 133 Ca -0.48 -0.09 -0.02 0.00 0.00 0.00 0.00 47.33 46.75 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 0.19 -0.41 -0.41 0.19 3.32 -1.96 -3.39 116.42 113.95 1jh5 h ASP 134 Ca 0.38 -0.08 -0.10 0.00 0.02 0.00 0.00 57.03 57.25 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 -0.07 0.04 -0.09 -0.37 -1.72 0.00 0.00 179.24 177.02 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 -1.19 -0.58 0.00 -1.23 0.00 0.00 66.70 63.65 1jh5 h VAL 135 Cb 0.47 0.99 -0.36 0.00 -2.13 0.00 0.00 31.29 30.26 1jh5 h VAL 135 CO 0.08 0.41 -0.83 0.42 -1.23 0.00 0.00 177.57 176.43 1jh5 s THR 136 N -4.84 1.43 0.15 7.19 -4.23 -0.89 -3.74 115.64 110.72 1jh5 s THR 136 Ca -0.10 -0.55 -0.08 0.00 -1.18 0.00 0.00 61.69 59.79 1jh5 s THR 136 Cb 0.14 -1.36 -0.01 0.00 1.34 0.00 0.00 72.50 72.60 1jh5 s THR 136 CO 0.83 0.44 0.23 0.72 -0.54 0.00 0.00 174.62 176.30 1jh5 s PHE 137 N 1.49 0.45 -0.07 3.99 -0.12 -0.28 -2.28 117.98 121.17 1jh5 s PHE 137 Ca 0.04 -0.82 0.03 0.00 -0.05 0.00 0.00 56.93 56.13 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 -0.66 -0.15 0.12 -0.05 0.00 0.00 175.22 174.39 1jh5 s PHE 138 N -3.97 1.65 0.00 3.49 5.36 -0.75 -1.41 117.98 122.35 1jh5 s PHE 138 Ca 0.17 -0.60 0.00 0.00 -0.96 0.00 0.00 56.93 55.54 1jh5 s PHE 138 Cb 0.04 -1.17 0.00 0.00 -0.34 0.00 0.00 43.02 41.55 1jh5 s PHE 138 CO -0.01 -0.28 0.00 0.41 -1.46 0.00 0.00 175.22 173.88 1jh5 n GLY 139 N 3.67 -0.71 0.56 13.12 0.00 0.43 -1.65 105.19 120.60 1jh5 n GLY 139 Ca -0.22 -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 -3.33 4.61 0.00 -1.20 -4.41 120.51 111.82 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 1.53 -0.11 0.00 0.20 0.33 -2.03 118.68 118.61 1jh5 s LEU 141 Ca 0.00 0.01 -0.23 0.00 0.69 0.00 0.00 54.13 54.60 1jh5 s LEU 141 Cb 0.00 -0.05 -0.03 0.00 -0.43 0.00 0.00 46.19 45.67 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 0.55 4.37 0.52 1.98 2.20 0.38 -0.28 119.74 129.46 1jh5 s LYS 142 Ca -0.05 0.85 -0.14 0.00 -0.36 0.00 0.00 55.97 56.27 1jh5 s LYS 142 Cb -0.07 -3.49 -0.07 0.00 -1.51 0.00 0.00 37.83 32.69 1jh5 s LYS 142 CO -0.01 -0.05 0.95 -0.51 -0.36 0.00 0.00 175.35 175.37 1jh5 s LEU 143 N 1.21 3.59 0.00 5.43 1.43 -0.07 -4.38 118.68 125.88 1jh5 s LEU 143 Ca 0.36 1.46 0.29 0.00 -1.03 0.00 0.00 54.13 55.20 1jh5 s LEU 143 Cb -0.17 -4.41 1.26 0.00 0.03 0.00 0.00 46.19 42.90 1jh5 s LEU 143 CO 0.16 -0.61 1.86 0.18 0.23 0.00 0.00 176.35 178.17