#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 2.16 -0.37 2.52 -4.23 -1.26 -5.11 115.64 109.35 1jh5 s THR 2 Ca 0.00 -1.65 -0.04 0.00 -1.18 0.00 0.00 61.69 58.82 1jh5 s THR 2 Cb 0.00 -2.82 0.08 0.00 1.34 0.00 0.00 72.50 71.11 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 -3.98 2.24 0.59 3.99 -0.21 -1.26 -4.96 119.66 116.06 1jh5 s GLN 3 Ca 0.38 -1.57 -0.20 0.00 0.02 0.00 0.00 55.36 53.99 1jh5 s GLN 3 Cb 0.02 -3.49 -0.03 0.00 1.00 0.00 0.00 33.01 30.51 1jh5 s GLN 3 CO 0.21 -0.90 1.31 -0.51 -2.12 0.00 0.00 175.29 173.29 1jh5 s ASP 4 N 1.67 5.03 -0.10 5.90 1.01 -1.26 -4.77 116.67 124.15 1jh5 s ASP 4 Ca 0.03 2.66 -0.25 0.00 0.71 0.00 0.00 52.55 55.70 1jh5 s ASP 4 Cb -0.22 -2.62 0.06 0.00 1.01 0.00 0.00 42.92 41.15 1jh5 s ASP 4 CO -0.02 -1.72 0.60 0.00 0.21 0.00 0.00 175.17 174.23 1jh5 s LEU 6 N -0.72 1.50 -0.00 0.00 0.20 -0.84 -0.11 118.68 118.71 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 -0.02 -0.18 -0.01 0.00 -0.43 0.00 0.00 46.19 45.55 1jh5 s LEU 6 CO 0.06 -0.05 -0.13 -1.58 -0.29 0.00 0.00 176.35 174.36 1jh5 s GLN 7 N 0.58 1.06 0.18 1.98 0.74 -0.33 -4.19 119.66 119.68 1jh5 s GLN 7 Ca -0.06 -0.51 0.09 0.00 0.05 0.00 0.00 55.36 54.93 1jh5 s GLN 7 Cb -0.09 -1.03 -0.04 0.00 1.10 0.00 0.00 33.01 32.95 1jh5 s GLN 7 CO -0.01 0.28 -0.13 -0.51 -0.55 0.00 0.00 175.29 174.37 1jh5 s LEU 8 N -0.42 2.86 0.03 3.68 1.02 -0.68 -0.56 118.68 124.62 1jh5 s LEU 8 Ca 0.05 -0.63 0.05 0.00 0.02 0.00 0.00 54.13 53.62 1jh5 s LEU 8 Cb -0.05 -1.56 -0.02 0.00 0.02 0.00 0.00 46.19 44.57 1jh5 s LEU 8 CO -0.00 0.11 -0.14 -0.63 0.02 0.00 0.00 176.35 175.71 1jh5 s ILE 9 N -1.66 1.11 0.21 -0.59 1.01 0.31 -1.85 121.20 119.72 1jh5 s ILE 9 Ca 0.24 -0.96 -0.31 0.00 0.00 0.00 0.00 60.65 59.61 1jh5 s ILE 9 Cb -0.09 -1.00 -0.11 0.00 0.01 0.00 0.00 42.46 41.28 1jh5 s ILE 9 CO 0.14 0.03 1.63 0.00 0.00 0.00 0.00 174.94 176.74 1jh5 s ALA 10 N -0.80 3.84 -0.89 9.38 0.00 -0.97 -0.59 121.76 131.73 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 19.53 1jh5 s ALA 10 CO 0.01 -0.87 1.04 0.34 0.00 0.00 0.00 175.76 176.28 1jh5 s ASP 11 N 1.00 6.63 0.00 0.00 2.15 0.19 -4.36 116.67 122.29 1jh5 s ASP 11 Ca 0.70 -2.13 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 0.35 -0.98 0.09 -1.54 -0.17 0.00 0.00 175.17 172.92 1jh5 n SER 12 N 6.07 0.22 -0.75 -0.34 3.41 -1.15 -2.77 113.62 118.29 1jh5 n SER 12 Ca 0.20 -0.29 0.03 0.00 -0.26 0.00 0.00 58.87 58.55 1jh5 n SER 12 Cb 0.48 -0.07 0.04 0.00 -0.26 0.00 0.00 64.21 64.41 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 0.55 0.32 -3.80 4.33 1.02 -1.26 -5.05 120.64 116.75 1jh5 n GLU 13 Ca 0.00 -1.72 -0.12 0.00 -0.02 0.00 0.00 57.16 55.29 1jh5 n GLU 13 Cb 0.05 -0.58 -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 -0.68 0.07 0.53 2.62 -4.23 -1.12 -5.15 115.64 107.69 1jh5 s THR 14 Ca 0.18 -0.59 -0.22 0.00 -1.18 0.00 0.00 61.69 59.88 1jh5 s THR 14 Cb 0.19 -0.62 -0.05 0.00 1.34 0.00 0.00 72.50 73.36 1jh5 s THR 14 CO -0.05 -0.33 1.33 -2.84 -0.54 0.00 0.00 174.62 172.19 1jh5 s PRO 15 N -1.57 3.23 -0.20 3.99 0.02 -1.26 -4.87 135.00 134.33 1jh5 s PRO 15 Ca -0.12 2.17 -0.29 0.00 0.02 0.00 0.00 61.00 62.78 1jh5 s PRO 15 Cb -0.05 -2.28 -0.02 0.00 0.02 0.00 0.00 34.50 32.17 1jh5 s PRO 15 CO 0.02 -1.10 1.47 0.95 -0.33 0.00 0.00 177.00 178.01 1jh5 s THR 16 N -1.34 3.91 0.14 0.99 -4.23 -1.26 -4.70 115.64 109.15 1jh5 s THR 16 Ca 0.70 1.06 -0.35 0.00 -1.18 0.00 0.00 61.69 61.92 1jh5 s THR 16 Cb -0.39 -3.84 -0.15 0.00 1.34 0.00 0.00 72.50 69.46 1jh5 s THR 16 CO 0.46 -0.26 1.41 -0.38 -0.54 0.00 0.00 174.62 175.31 1jh5 n ILE 17 N 5.99 0.21 -4.78 2.99 5.41 -0.60 -4.74 119.36 123.84 1jh5 n ILE 17 Ca 0.17 -0.05 -0.33 0.00 1.00 0.00 0.00 62.75 63.53 1jh5 n ILE 17 Cb 0.45 -1.16 -0.13 0.00 -0.71 0.00 0.00 39.64 38.09 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 0.44 3.04 -0.29 0.38 2.00 -1.26 -0.43 119.66 123.54 1jh5 s GLN 18 Ca 0.79 -0.67 -0.17 0.00 -2.00 0.00 0.00 55.36 53.32 1jh5 s GLN 18 Cb -0.81 -2.56 0.17 0.00 0.80 0.00 0.00 33.01 30.61 1jh5 s GLN 18 CO 0.44 0.40 1.08 0.21 -0.50 0.00 0.00 175.29 176.92 1jh5 s LYS 19 N -0.13 0.27 -1.49 1.67 2.20 -0.91 -4.96 119.74 116.39 1jh5 s LYS 19 Ca -0.01 0.46 -0.12 0.00 -0.36 0.00 0.00 55.97 55.95 1jh5 s LYS 19 Cb -0.13 0.06 0.07 0.00 -1.51 0.00 0.00 37.83 36.31 1jh5 s LYS 19 CO 0.03 -0.06 1.01 0.41 -0.36 0.00 0.00 175.35 176.39 1jh5 n GLY 20 N 3.40 -0.50 3.90 5.54 0.00 -1.26 -1.38 105.19 114.90 1jh5 n GLY 20 Ca -0.18 0.20 -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 -2.88 -4.41 -4.18 1.61 3.41 -1.26 -4.97 113.62 100.93 1jh5 n SER 21 Ca 0.02 -0.77 -0.21 0.00 -0.26 0.00 0.00 58.87 57.64 1jh5 n SER 21 Cb 0.54 -3.55 -0.13 0.00 -0.26 0.00 0.00 64.21 60.81 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 -3.24 1.37 -0.15 7.33 1.51 -0.48 -3.62 117.35 120.06 1jh5 s TYR 22 Ca 0.65 -0.39 -0.04 0.00 -1.01 0.00 0.00 57.07 56.28 1jh5 s TYR 22 Cb -0.33 -0.80 -0.03 0.00 -0.11 0.00 0.00 41.96 40.69 1jh5 s TYR 22 CO 0.80 0.07 -0.03 0.99 -1.11 0.00 0.00 175.55 176.27 1jh5 s THR 23 N -0.97 4.00 -0.15 -0.71 2.01 0.48 -2.13 115.64 118.16 1jh5 s THR 23 Ca 0.02 -0.32 0.01 0.00 0.31 0.00 0.00 61.69 61.71 1jh5 s THR 23 Cb -0.09 -2.75 0.00 0.00 0.01 0.00 0.00 72.50 69.67 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 0.27 2.74 0.21 4.92 0.40 0.43 -1.31 117.98 125.63 1jh5 s PHE 24 Ca -0.02 -1.19 -0.30 0.00 -0.60 0.00 0.00 56.93 54.81 1jh5 s PHE 24 Cb -0.14 -1.86 -0.10 0.00 0.51 0.00 0.00 43.02 41.43 1jh5 s PHE 24 CO 0.03 -0.55 1.45 0.08 0.70 0.00 0.00 175.22 176.92 1jh5 s VAL 25 N 0.85 2.79 -0.40 -0.44 1.01 -1.26 -1.55 120.40 121.39 1jh5 s VAL 25 Ca -0.05 0.63 -0.29 0.00 0.00 0.00 0.00 61.98 62.26 1jh5 s VAL 25 Cb -0.15 -3.40 0.01 0.00 0.00 0.00 0.00 36.38 32.84 1jh5 s VAL 25 CO -0.02 0.08 1.28 -2.84 0.00 0.00 0.00 175.10 173.61 1jh5 s PRO 26 N 0.16 3.72 0.58 2.72 0.02 -1.26 -4.88 135.00 136.06 1jh5 s PRO 26 Ca 0.62 0.89 -0.07 0.00 0.02 0.00 0.00 61.00 62.46 1jh5 s PRO 26 Cb -0.41 -3.94 -0.01 0.00 0.02 0.00 0.00 34.50 30.16 1jh5 s PRO 26 CO 0.38 -1.37 0.90 -1.58 -0.33 0.00 0.00 177.00 175.00 1jh5 s TRP 27 N 4.79 3.37 -0.15 6.54 0.23 -1.26 0.54 118.94 133.00 1jh5 s TRP 27 Ca 0.55 0.78 -0.08 0.00 -2.03 0.00 0.00 56.10 55.33 1jh5 s TRP 27 Cb -0.12 -2.66 0.06 0.00 0.03 0.00 0.00 33.47 30.77 1jh5 s TRP 27 CO 0.29 -0.71 0.35 -1.17 0.96 0.00 0.00 176.95 176.67 1jh5 s LEU 28 N -4.98 0.08 0.07 2.99 2.96 0.24 -4.59 118.68 115.45 1jh5 s LEU 28 Ca 0.53 0.75 -0.34 0.00 -0.22 0.00 0.00 54.13 54.85 1jh5 s LEU 28 Cb -0.11 1.10 -0.13 0.00 0.50 0.00 0.00 46.19 47.56 1jh5 s LEU 28 CO 0.47 -0.19 1.72 -0.11 -1.32 0.00 0.00 176.35 176.92 1jh5 n LEU 29 N 4.30 3.35 -0.08 -0.68 7.94 -1.26 -0.53 117.00 130.03 1jh5 n LEU 29 Ca -0.23 1.03 -0.13 0.00 -1.11 0.00 0.00 56.01 55.57 1jh5 n LEU 29 Cb 0.54 -1.42 -0.07 0.00 0.53 0.00 0.00 43.42 43.00 1jh5 n LEU 29 CO 0.10 -0.14 -0.36 -1.28 -1.11 0.00 0.00 177.39 174.60 1jh5 h SER 30 N 7.42 0.00 -4.33 1.96 0.87 -1.13 -3.45 113.55 114.88 1jh5 h SER 30 Ca -0.46 -0.30 0.09 0.00 -1.23 0.00 0.00 61.79 59.89 1jh5 h SER 30 Cb 1.26 0.00 -0.20 0.00 -0.44 0.00 0.00 62.40 63.01 1jh5 h SER 30 CO 0.92 1.09 0.52 0.72 -0.53 0.00 0.00 176.83 179.55 1jh5 s PHE 31 N -2.25 -0.37 -0.05 2.24 -0.12 -1.11 -5.01 117.98 111.32 1jh5 s PHE 31 Ca -0.21 0.51 0.00 0.00 -0.05 0.00 0.00 56.93 57.19 1jh5 s PHE 31 Cb 0.03 0.48 0.02 0.00 -0.63 0.00 0.00 43.02 42.93 1jh5 s PHE 31 CO 0.41 -0.41 -0.02 0.21 -0.05 0.00 0.00 175.22 175.35 1jh5 s LYS 32 N -1.78 0.64 -0.10 1.99 2.20 -1.26 -1.19 119.74 120.24 1jh5 s LYS 32 Ca 0.00 0.00 0.01 0.00 -0.36 0.00 0.00 55.97 55.62 1jh5 s LYS 32 Cb -0.01 -0.80 0.02 0.00 -1.51 0.00 0.00 37.83 35.54 1jh5 s LYS 32 CO -0.01 -0.16 -0.10 0.50 -0.36 0.00 0.00 175.35 175.22 1jh5 s ARG 33 N 1.27 1.67 0.55 4.03 3.52 0.84 -5.01 118.95 125.82 1jh5 s ARG 33 Ca -0.06 -0.34 0.00 0.00 -0.13 0.00 0.00 55.73 55.20 1jh5 s ARG 33 Cb -0.13 -1.59 0.00 0.00 -1.56 0.00 0.00 34.95 31.67 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 4.57 -1.79 0.00 8.12 0.00 -1.26 -0.68 105.19 114.15 1jh5 n GLY 34 Ca -0.16 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.06 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 4.89 0.21 1.61 3.41 -1.26 -4.75 113.62 117.87 1jh5 n SER 35 Ca 0.00 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.76 1jh5 n SER 35 Cb 0.00 1.00 0.76 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 0.04 1.00 -3.37 7.33 0.00 -1.91 -3.43 119.26 118.93 1jh5 h ALA 36 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.61 1jh5 h ALA 36 Cb 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 17.62 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 -5.00 2.20 0.14 0.00 1.43 -1.26 -0.25 118.68 115.94 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 0.08 -0.21 -0.01 0.00 0.03 0.00 0.00 46.19 46.08 1jh5 s LEU 37 CO 0.28 -0.13 0.23 -1.61 0.23 0.00 0.00 176.35 175.35 1jh5 s GLU 38 N -1.22 1.05 0.13 1.70 2.02 -0.64 -4.93 118.70 116.81 1jh5 s GLU 38 Ca -0.07 -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 34.44 1jh5 s GLU 38 CO 0.00 -0.37 0.46 -1.21 0.02 0.00 0.00 175.26 174.16 1jh5 s GLU 39 N -3.96 3.79 -0.29 1.61 2.02 -1.26 0.18 118.70 120.79 1jh5 s GLU 39 Ca 0.15 0.22 0.03 0.00 0.02 0.00 0.00 54.97 55.39 1jh5 s GLU 39 Cb 0.04 -2.90 0.20 0.00 0.10 0.00 0.00 34.13 31.57 1jh5 s GLU 39 CO -0.02 0.49 0.61 0.21 0.02 0.00 0.00 175.26 176.57 1jh5 s LYS 40 N -2.19 0.55 -1.17 1.61 2.20 0.43 -4.81 119.74 116.37 1jh5 s LYS 40 Ca 0.38 0.71 -0.19 0.00 -0.36 0.00 0.00 55.97 56.51 1jh5 s LYS 40 Cb -0.13 0.36 -0.01 0.00 -1.51 0.00 0.00 37.83 36.54 1jh5 s LYS 40 CO 0.20 -0.86 0.76 0.39 -0.36 0.00 0.00 175.35 175.48 1jh5 n GLU 41 N 5.42 -1.49 -1.63 4.03 1.02 -1.26 -1.57 120.64 125.16 1jh5 n GLU 41 Ca 0.03 0.45 -0.19 0.00 -0.02 0.00 0.00 57.16 57.43 1jh5 n GLU 41 Cb 0.53 -4.16 -0.07 0.00 -0.02 0.00 0.00 31.44 27.72 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 -2.70 -5.27 -4.19 1.62 4.05 -1.26 -4.97 115.26 102.54 1jh5 n ASN 42 Ca -0.12 0.41 -0.12 0.00 0.45 0.00 0.00 54.58 55.21 1jh5 n ASN 42 Cb 0.60 -4.41 -0.10 0.00 1.23 0.00 0.00 39.78 37.10 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 -3.74 0.92 -0.24 1.20 1.02 -0.61 -4.85 119.74 113.45 1jh5 s LYS 43 Ca 0.00 -1.39 -0.13 0.00 0.02 0.00 0.00 55.97 54.47 1jh5 s LYS 43 Cb 0.00 -0.27 -0.04 0.00 -0.52 0.00 0.00 37.83 36.99 1jh5 s LYS 43 CO 0.00 -0.03 0.27 0.42 -0.92 0.00 0.00 175.35 175.09 1jh5 s ILE 44 N -3.59 5.28 -0.20 2.17 1.01 -0.31 -0.43 121.20 125.13 1jh5 s ILE 44 Ca 0.15 0.40 -0.12 0.00 0.00 0.00 0.00 60.65 61.08 1jh5 s ILE 44 Cb 0.05 -3.60 -0.05 0.00 0.01 0.00 0.00 42.46 38.87 1jh5 s ILE 44 CO -0.02 0.27 0.20 -0.22 0.00 0.00 0.00 174.94 175.17 1jh5 s LEU 45 N 1.39 4.20 -0.23 2.97 2.96 0.13 -0.35 118.68 129.74 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 -0.15 -2.21 -0.01 0.00 0.50 0.00 0.00 46.19 44.33 1jh5 s LEU 45 CO 0.07 0.12 0.82 -0.69 -1.32 0.00 0.00 176.35 175.35 1jh5 s VAL 46 N 0.59 4.85 -1.10 1.68 1.01 -0.18 -1.62 120.40 125.63 1jh5 s VAL 46 Ca 0.11 1.56 0.19 0.00 0.00 0.00 0.00 61.98 63.85 1jh5 s VAL 46 Cb -0.12 -4.11 -0.16 0.00 0.00 0.00 0.00 36.38 31.98 1jh5 s VAL 46 CO 0.02 -0.06 0.85 0.29 0.00 0.00 0.00 175.10 176.20 1jh5 n LYS 47 N 5.90 0.89 -3.70 2.72 4.76 0.66 -0.39 118.16 128.99 1jh5 n LYS 47 Ca 0.05 -0.21 -0.14 0.00 -2.87 0.00 0.00 58.31 55.14 1jh5 n LYS 47 Cb 0.48 -1.39 -0.14 0.00 -1.84 0.00 0.00 35.03 32.13 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 -2.67 0.12 0.54 1.97 2.02 -1.23 -4.78 118.70 114.67 1jh5 s GLU 48 Ca 0.09 0.54 -0.20 0.00 0.02 0.00 0.00 54.97 55.43 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 0.72 -0.23 1.14 0.95 0.02 0.00 0.00 175.26 177.86 1jh5 s THR 49 N 1.74 3.11 -4.00 3.63 -4.23 -1.26 -4.56 115.64 110.06 1jh5 s THR 49 Ca -0.04 0.70 0.00 0.00 -1.18 0.00 0.00 61.69 61.17 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 -0.14 0.00 0.61 -0.54 0.00 0.00 174.62 174.48 1jh5 n GLY 50 N 0.21 -0.89 3.67 3.99 0.00 -0.01 -4.93 105.19 107.23 1jh5 n GLY 50 Ca 0.12 -1.07 -0.35 0.00 0.00 0.00 0.00 46.02 44.71 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 0.09 1.61 1.51 -1.26 -0.99 117.35 118.63 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 -2.18 -0.03 0.00 -0.11 0.00 0.00 41.96 39.64 1jh5 s TYR 51 CO 0.00 0.16 -0.21 -0.06 -1.11 0.00 0.00 175.55 174.33 1jh5 s PHE 52 N 0.65 1.80 -0.25 2.71 0.40 -0.34 -0.79 117.98 122.16 1jh5 s PHE 52 Ca 0.07 -0.40 -0.12 0.00 -0.60 0.00 0.00 56.93 55.88 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 0.18 0.21 0.12 0.70 0.00 0.00 175.22 176.43 1jh5 s PHE 53 N -1.06 3.30 -0.09 0.36 5.36 0.44 -1.32 117.98 124.97 1jh5 s PHE 53 Ca 0.07 0.26 0.04 0.00 -0.96 0.00 0.00 56.93 56.34 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 0.04 -0.01 -0.23 0.42 -1.46 0.00 0.00 175.22 173.98 1jh5 s ILE 54 N 1.30 1.96 0.31 3.12 1.01 0.81 -0.60 121.20 129.10 1jh5 s ILE 54 Ca 0.09 -0.97 0.03 0.00 0.00 0.00 0.00 60.65 59.80 1jh5 s ILE 54 Cb -0.14 -1.70 -0.05 0.00 0.01 0.00 0.00 42.46 40.58 1jh5 s ILE 54 CO 0.07 0.54 0.09 -0.72 0.00 0.00 0.00 174.94 174.92 1jh5 s TYR 55 N 0.33 1.75 0.00 3.97 -0.85 -1.26 -1.14 117.35 120.16 1jh5 s TYR 55 Ca -0.17 -1.12 0.00 0.00 -0.52 0.00 0.00 57.07 55.25 1jh5 s TYR 55 Cb -0.17 -1.09 0.00 0.00 0.38 0.00 0.00 41.96 41.08 1jh5 s TYR 55 CO 0.08 -0.21 0.00 0.41 -1.52 0.00 0.00 175.55 174.31 1jh5 n GLY 56 N -0.63 1.60 3.07 5.49 0.00 -0.91 0.16 105.19 113.97 1jh5 n GLY 56 Ca -0.02 0.06 -0.15 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.95 0.60 -0.00 1.61 0.74 -0.56 -2.27 119.66 118.84 1jh5 s GLN 57 Ca 0.00 -0.67 -0.00 0.00 0.05 0.00 0.00 55.36 54.73 1jh5 s GLN 57 Cb 0.00 -0.48 0.00 0.00 1.10 0.00 0.00 33.01 33.63 1jh5 s GLN 57 CO 0.00 0.11 0.01 0.08 -0.55 0.00 0.00 175.29 174.94 1jh5 s VAL 58 N -1.05 0.00 -0.36 1.34 1.01 -1.08 -1.22 120.40 119.05 1jh5 s VAL 58 Ca -0.05 -0.04 -0.13 0.00 0.00 0.00 0.00 61.98 61.76 1jh5 s VAL 58 Cb -0.08 -0.04 -0.00 0.00 0.00 0.00 0.00 36.38 36.26 1jh5 s VAL 58 CO 0.01 -0.02 0.24 -0.22 0.00 0.00 0.00 175.10 175.10 1jh5 s LEU 59 N -0.06 4.63 -0.16 3.92 0.20 -1.25 -0.73 118.68 125.24 1jh5 s LEU 59 Ca -0.01 -0.61 -0.19 0.00 0.69 0.00 0.00 54.13 54.02 1jh5 s LEU 59 Cb -0.01 -2.11 -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 -0.07 5.38 1.51 -1.26 -1.85 117.35 126.17 1jh5 s TYR 60 Ca 0.05 0.84 0.11 0.00 -1.01 0.00 0.00 57.07 57.06 1jh5 s TYR 60 Cb -0.18 -2.63 0.16 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 1.49 -3.18 -0.71 -2.24 0.20 -1.57 114.28 112.42 1jh5 n THR 61 Ca -0.05 -1.70 -0.33 0.00 -2.27 0.00 0.00 64.05 59.69 1jh5 n THR 61 Cb 0.51 0.09 -0.06 0.00 -2.10 0.00 0.00 70.33 68.77 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 -2.05 6.80 -0.23 3.42 3.68 -0.75 -4.60 116.67 122.94 1jh5 s ASP 62 Ca 0.18 1.24 0.14 0.00 2.13 0.00 0.00 52.55 56.24 1jh5 s ASP 62 Cb 0.16 -2.35 0.60 0.00 -1.45 0.00 0.00 42.92 39.88 1jh5 s ASP 62 CO 0.02 -0.13 1.54 2.29 0.13 0.00 0.00 175.17 179.02 1jh5 n LYS 63 N -0.08 3.15 -1.59 4.34 2.85 -1.26 -4.74 118.16 120.83 1jh5 n LYS 63 Ca 0.02 -2.98 -0.40 0.00 -1.05 0.00 0.00 58.31 53.90 1jh5 n LYS 63 Cb 0.53 -1.97 -0.02 0.00 -0.65 0.00 0.00 35.03 32.92 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 4.57 0.00 0.58 -2.24 -1.26 -4.74 114.28 110.78 1jh5 n THR 64 Ca 0.28 -3.23 0.00 0.00 -2.27 0.00 0.00 64.05 58.83 1jh5 n THR 64 Cb 1.05 -2.44 0.00 0.00 -2.10 0.00 0.00 70.33 66.84 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 3.15 0.00 -3.53 4.78 0.18 -1.26 -4.56 117.16 115.92 1jh5 n TYR 65 Ca 0.71 0.00 0.00 0.00 1.88 0.00 0.00 57.90 60.49 1jh5 n TYR 65 Cb 0.25 -0.08 -0.04 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 -2.24 0.37 -3.48 0.00 -1.26 -1.25 121.76 113.90 1jh5 s ALA 66 Ca 0.00 2.21 0.07 0.00 0.00 0.00 0.00 51.96 54.24 1jh5 s ALA 66 Cb 0.00 -1.90 -0.07 0.00 0.00 0.00 0.00 23.12 21.15 1jh5 s ALA 66 CO 0.00 -1.00 -0.03 -1.64 0.00 0.00 0.00 175.76 173.10 1jh5 s MET 67 N 2.81 1.85 0.00 0.00 -1.94 -0.25 -4.92 119.30 116.85 1jh5 s MET 67 Ca -0.02 -2.00 0.00 0.00 -1.71 0.00 0.00 55.69 51.96 1jh5 s MET 67 Cb -0.11 -1.54 0.00 0.00 2.01 0.00 0.00 34.83 35.19 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 -0.85 1.23 3.28 -0.03 0.00 -1.26 0.04 105.19 107.60 1jh5 n GLY 68 Ca -0.05 -0.96 -0.15 0.00 0.00 0.00 0.00 46.02 44.86 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 1.39 0.04 1.61 -3.43 -1.11 -4.21 115.29 107.58 1jh5 s HIS 69 Ca 0.00 -1.14 0.07 0.00 -0.80 0.00 0.00 55.06 53.19 1jh5 s HIS 69 Cb 0.00 -0.80 -0.02 0.00 -1.43 0.00 0.00 32.58 30.33 1jh5 s HIS 69 CO 0.00 -0.32 -0.20 -0.51 -2.00 0.00 0.00 174.74 171.71 1jh5 s LEU 70 N -3.25 2.16 -0.34 5.38 1.43 0.12 -1.79 118.68 122.38 1jh5 s LEU 70 Ca 0.33 -0.51 -0.06 0.00 -1.03 0.00 0.00 54.13 52.86 1jh5 s LEU 70 Cb 0.07 -0.94 0.05 0.00 0.03 0.00 0.00 46.19 45.40 1jh5 s LEU 70 CO 0.10 0.15 0.11 -0.63 0.23 0.00 0.00 176.35 176.31 1jh5 s ILE 71 N -0.80 3.72 0.22 -0.59 1.01 -1.22 -0.69 121.20 122.85 1jh5 s ILE 71 Ca 0.07 -1.21 0.08 0.00 0.00 0.00 0.00 60.65 59.58 1jh5 s ILE 71 Cb -0.09 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.20 1jh5 s ILE 71 CO 0.02 -0.21 0.06 -1.10 0.00 0.00 0.00 174.94 173.70 1jh5 s GLN 72 N 1.38 2.56 -0.07 2.79 -0.21 0.26 -0.82 119.66 125.54 1jh5 s GLN 72 Ca -0.01 -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 -3.38 2.48 -0.47 2.91 3.52 0.15 -1.68 118.95 122.48 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 -1.99 0.12 0.00 -1.56 0.00 0.00 34.95 31.44 1jh5 s ARG 73 CO 0.21 0.22 0.35 0.15 -0.81 0.00 0.00 175.30 175.42 1jh5 s LYS 74 N 0.21 2.50 0.32 5.12 1.02 -0.25 -1.00 119.74 127.66 1jh5 s LYS 74 Ca -0.12 -1.75 -0.29 0.00 0.02 0.00 0.00 55.97 53.83 1jh5 s LYS 74 Cb -0.15 -3.93 -0.12 0.00 -0.52 0.00 0.00 37.83 33.11 1jh5 s LYS 74 CO 0.06 -1.19 1.53 1.63 -0.92 0.00 0.00 175.35 176.46 1jh5 n LYS 75 N 4.92 2.64 0.12 1.68 5.02 0.73 -2.94 118.16 130.33 1jh5 n LYS 75 Ca -0.08 0.93 -0.24 0.00 -2.02 0.00 0.00 58.31 56.91 1jh5 n LYS 75 Cb 0.41 -2.68 -0.15 0.00 -0.02 0.00 0.00 35.03 32.58 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 3.15 1.33 -3.12 -0.18 2.07 -1.88 -3.45 116.25 114.16 1jh5 h VAL 76 Ca -0.48 -2.64 -0.65 0.00 0.82 0.00 0.00 66.70 63.75 1jh5 h VAL 76 Cb 1.24 3.04 -0.09 0.00 -1.52 0.00 0.00 31.29 33.96 1jh5 h VAL 76 CO 0.73 0.78 -0.58 -1.00 0.02 0.00 0.00 177.57 177.52 1jh5 s HIS 77 N -2.61 3.27 0.04 1.57 3.76 -1.26 -5.07 115.29 114.99 1jh5 s HIS 77 Ca -0.10 0.17 0.00 0.00 -0.15 0.00 0.00 55.06 54.98 1jh5 s HIS 77 Cb 0.03 -1.70 0.00 0.00 1.11 0.00 0.00 32.58 32.02 1jh5 s HIS 77 CO 0.92 0.54 0.00 0.28 -0.85 0.00 0.00 174.74 175.64 1jh5 n VAL 78 N 0.90 0.34 -0.57 -0.90 0.31 -1.26 -4.99 118.33 112.17 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 -1.04 0.00 0.00 -0.91 0.00 0.00 33.84 32.41 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 -2.82 -0.56 -0.10 3.52 3.01 -1.26 -4.61 117.46 114.64 1jh5 n PHE 79 Ca 0.00 0.33 0.00 0.00 1.01 0.00 0.00 57.45 58.79 1jh5 n PHE 79 Cb 0.00 -2.09 0.00 0.00 -0.01 0.00 0.00 39.48 37.38 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 0.07 2.92 2.08 1.37 0.00 -1.26 -2.29 105.19 108.08 1jh5 n GLY 80 Ca 0.00 -0.04 -0.20 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 2.38 3.73 -4.78 1.61 5.75 -1.26 -4.97 116.55 119.00 1jh5 n ASP 81 Ca 0.00 -3.41 -0.35 0.00 -0.01 0.00 0.00 54.79 51.02 1jh5 n ASP 81 Cb 0.00 -0.80 -0.01 0.00 -1.03 0.00 0.00 41.12 39.29 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 -2.93 3.45 -0.13 0.11 2.02 -0.97 -5.00 118.70 115.26 1jh5 s GLU 82 Ca 0.51 1.53 -0.16 0.00 0.02 0.00 0.00 54.97 56.86 1jh5 s GLU 82 Cb 0.43 -2.03 -0.04 0.00 0.10 0.00 0.00 34.13 32.58 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 -3.77 4.27 0.00 1.80 1.02 -1.26 -4.93 118.68 115.81 1jh5 s LEU 83 Ca 0.71 0.69 0.26 0.00 0.02 0.00 0.00 54.13 55.81 1jh5 s LEU 83 Cb -0.21 -2.56 1.39 0.00 0.02 0.00 0.00 46.19 44.83 1jh5 s LEU 83 CO 0.26 0.06 1.89 -1.54 0.02 0.00 0.00 176.35 177.04 1jh5 n SER 84 N 3.53 0.00 -4.10 2.29 3.41 -1.26 -4.51 113.62 112.99 1jh5 n SER 84 Ca -0.09 -0.29 -0.33 0.00 -0.26 0.00 0.00 58.87 57.90 1jh5 n SER 84 Cb 0.52 -0.21 -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 -2.42 4.24 -0.09 1.04 1.98 -1.26 -0.19 118.68 121.99 1jh5 s LEU 85 Ca 0.29 -1.67 -0.01 0.00 -2.89 0.00 0.00 54.13 49.85 1jh5 s LEU 85 Cb 0.18 -1.67 -0.03 0.00 0.66 0.00 0.00 46.19 45.33 1jh5 s LEU 85 CO 0.37 -0.32 -0.03 -0.69 -1.89 0.00 0.00 176.35 173.79 1jh5 s VAL 86 N 1.10 4.01 -0.26 1.68 1.01 -0.17 -4.95 120.40 122.82 1jh5 s VAL 86 Ca 0.00 -0.36 -0.06 0.00 0.00 0.00 0.00 61.98 61.56 1jh5 s VAL 86 Cb -0.20 -2.67 -0.01 0.00 0.00 0.00 0.00 36.38 33.50 1jh5 s VAL 86 CO -0.04 0.59 0.05 0.42 0.00 0.00 0.00 175.10 176.12 1jh5 s THR 87 N -0.70 4.00 0.01 3.92 -4.23 -1.26 0.34 115.64 117.72 1jh5 s THR 87 Ca 0.11 -0.43 -0.06 0.00 -1.18 0.00 0.00 61.69 60.13 1jh5 s THR 87 Cb -0.11 -2.93 -0.05 0.00 1.34 0.00 0.00 72.50 70.74 1jh5 s THR 87 CO 0.02 0.26 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 -4.92 118.68 125.47 1jh5 s LEU 88 Ca 0.05 0.52 0.00 0.00 0.02 0.00 0.00 54.13 54.72 1jh5 s LEU 88 Cb -0.16 -2.68 0.00 0.00 0.02 0.00 0.00 46.19 43.37 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 1.05 0.00 -1.16 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 -3.16 -4.38 -1.08 0.63 -1.26 -4.93 116.66 102.49 1jh5 n ARG 90 Ca 0.00 2.30 -0.19 0.00 -0.92 0.00 0.00 57.85 59.04 1jh5 n ARG 90 Cb 0.00 -2.50 -0.10 0.00 0.45 0.00 0.00 32.46 30.31 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 -3.31 0.23 -0.19 0.00 1.01 -1.26 -2.73 121.20 114.95 1jh5 s ILE 92 Ca 0.31 -1.33 -0.07 0.00 0.00 0.00 0.00 60.65 59.56 1jh5 s ILE 92 Cb 0.06 -0.86 0.09 0.00 0.01 0.00 0.00 42.46 41.76 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 -2.55 0.31 0.51 2.79 -1.52 0.11 -4.96 119.66 114.35 1jh5 s GLN 93 Ca -0.05 1.00 -0.23 0.00 -1.95 0.00 0.00 55.36 54.13 1jh5 s GLN 93 Cb -0.02 0.28 -0.06 0.00 -0.22 0.00 0.00 33.01 32.99 1jh5 s GLN 93 CO -0.04 -0.25 1.33 -0.80 -0.25 0.00 0.00 175.29 175.28 1jh5 s ASN 94 N 2.52 5.57 0.13 5.90 0.01 -1.26 -1.09 114.94 126.72 1jh5 s ASN 94 Ca -0.02 2.70 0.08 0.00 -0.71 0.00 0.00 52.86 54.91 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 -1.36 -0.13 -0.04 -1.51 0.00 0.00 177.10 173.94 1jh5 s MET 95 N -2.77 1.99 0.00 -0.60 -1.94 -0.38 -4.85 119.30 110.75 1jh5 s MET 95 Ca 0.68 -1.14 0.00 0.00 -1.71 0.00 0.00 55.69 53.52 1jh5 s MET 95 Cb -0.39 -2.20 0.00 0.00 2.01 0.00 0.00 34.83 34.25 1jh5 s MET 95 CO 0.47 0.48 0.00 -2.30 -0.01 0.00 0.00 175.02 173.65 1jh5 n PRO 96 N 0.55 -0.02 -0.01 2.03 -0.02 -1.26 -4.27 135.00 132.00 1jh5 n PRO 96 Ca -0.13 0.00 0.01 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 -0.97 0.94 0.00 -0.52 2.13 -1.26 -4.56 120.64 116.41 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 -1.82 0.00 -3.47 6.31 -2.24 -1.26 -4.85 114.28 106.96 1jh5 n THR 98 Ca -0.03 0.41 -0.30 0.00 -2.27 0.00 0.00 64.05 61.86 1jh5 n THR 98 Cb 0.28 -1.34 -0.07 0.00 -2.10 0.00 0.00 70.33 67.09 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 -2.11 4.01 -4.67 3.22 4.77 -1.26 -5.06 117.00 115.89 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 -0.79 -0.08 0.00 -2.33 0.00 0.00 43.42 40.22 1jh5 n LEU 99 CO 0.00 1.93 1.13 -2.65 -1.33 0.00 0.00 177.39 176.47 1jh5 n PRO 100 N 1.19 0.79 -2.82 3.23 -0.02 -1.26 -4.92 135.00 131.19 1jh5 n PRO 100 Ca 0.27 0.29 -0.02 0.00 -2.02 0.00 0.00 63.50 62.02 1jh5 n PRO 100 Cb 0.39 -1.91 0.01 0.00 -0.02 0.00 0.00 33.50 31.97 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 2.45 -1.04 -0.06 2.55 0.01 -1.16 -4.43 114.94 113.25 1jh5 s ASN 101 Ca 0.96 -1.03 -0.02 0.00 -0.71 0.00 0.00 52.86 52.06 1jh5 s ASN 101 Cb -1.16 1.36 -0.03 0.00 0.41 0.00 0.00 41.25 41.83 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 3.21 1.27 -1.88 -1.22 3.02 -0.61 -4.97 115.26 114.08 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 -0.17 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 -3.13 -9.52 -3.71 6.41 2.88 -1.22 -4.81 113.62 100.52 1jh5 n SER 103 Ca -0.12 1.36 -0.12 0.00 -1.33 0.00 0.00 58.87 58.65 1jh5 n SER 103 Cb 0.60 -5.10 -0.13 0.00 -0.75 0.00 0.00 64.21 58.83 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 3.11 -0.19 0.00 5.04 -1.26 -2.64 117.35 122.99 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 0.72 0.45 -1.34 0.00 0.00 175.55 175.78 1jh5 s SER 106 N -1.91 -0.71 0.19 4.32 0.15 -0.96 -5.01 113.70 109.76 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 65.34 1jh5 s SER 106 CO 0.15 -0.37 0.49 0.00 1.20 0.00 0.00 173.24 174.71 1jh5 s ALA 107 N -0.18 -0.85 0.10 5.45 0.00 -1.26 -2.13 121.76 122.89 1jh5 s ALA 107 Ca -0.04 -0.27 -0.25 0.00 0.00 0.00 0.00 51.96 51.41 1jh5 s ALA 107 Cb -0.03 0.84 0.08 0.00 0.00 0.00 0.00 23.12 24.02 1jh5 s ALA 107 CO 0.04 -0.78 1.14 0.20 0.00 0.00 0.00 175.76 176.36 1jh5 s GLY 108 N -2.88 0.03 -0.04 0.00 0.00 -0.29 -4.99 107.32 99.17 1jh5 s GLY 108 Ca 0.09 -0.21 0.03 0.00 0.00 0.00 0.00 44.72 44.63 1jh5 s GLY 108 CO -0.03 3.94 -0.09 -0.42 0.00 0.00 0.00 173.10 176.49 1jh5 s ILE 109 N -2.06 3.47 0.04 0.90 1.01 -1.26 -0.14 121.20 123.16 1jh5 s ILE 109 Ca 0.26 -0.67 -0.13 0.00 0.00 0.00 0.00 60.65 60.10 1jh5 s ILE 109 Cb -0.02 -2.44 0.02 0.00 0.01 0.00 0.00 42.46 40.03 1jh5 s ILE 109 CO 0.03 0.52 0.29 0.00 0.00 0.00 0.00 174.94 175.78 1jh5 s ALA 110 N -0.85 -0.63 -0.13 9.38 0.00 -0.43 -4.99 121.76 124.10 1jh5 s ALA 110 Ca 0.14 -0.03 -0.14 0.00 0.00 0.00 0.00 51.96 51.93 1jh5 s ALA 110 Cb -0.11 0.31 -0.05 0.00 0.00 0.00 0.00 23.12 23.27 1jh5 s ALA 110 CO 0.03 -0.40 0.32 0.21 0.00 0.00 0.00 175.76 175.93 1jh5 s LYS 111 N -2.51 4.17 0.21 0.00 2.20 -1.26 -1.20 119.74 121.34 1jh5 s LYS 111 Ca -0.05 0.17 0.06 0.00 -0.36 0.00 0.00 55.97 55.79 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 0.33 -0.10 -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 -0.16 -4.99 118.68 123.22 1jh5 s LEU 112 Ca 0.19 -1.08 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 0.06 -0.29 -0.14 -1.61 0.23 0.00 0.00 176.35 174.60 1jh5 s GLU 113 N -3.72 1.20 -0.16 1.70 2.02 -1.26 -0.83 118.70 117.65 1jh5 s GLU 113 Ca 0.23 -1.45 -0.41 0.00 0.02 0.00 0.00 54.97 53.37 1jh5 s GLU 113 Cb 0.02 -1.02 -0.18 0.00 0.10 0.00 0.00 34.13 33.05 1jh5 s GLU 113 CO 0.06 0.18 1.45 0.39 0.02 0.00 0.00 175.26 177.36 1jh5 n GLU 114 N -0.00 0.65 0.00 1.61 1.02 -1.26 -0.46 120.64 122.19 1jh5 n GLU 114 Ca -0.11 0.23 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 1jh5 n GLU 114 Cb 0.59 -1.83 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 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 3.06 2.98 3.76 0.62 0.00 0.47 -4.84 105.19 111.24 1jh5 n GLY 115 Ca 0.24 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 -1.16 5.05 0.00 1.61 1.01 0.39 -4.60 116.67 118.97 1jh5 s ASP 116 Ca 0.00 2.19 0.05 0.00 0.71 0.00 0.00 52.55 55.50 1jh5 s ASP 116 Cb 0.00 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.34 1jh5 s ASP 116 CO 0.00 -1.68 -0.17 -1.61 0.21 0.00 0.00 175.17 171.92 1jh5 s GLU 117 N -3.74 1.29 0.02 8.23 2.02 -1.15 -1.01 118.70 124.36 1jh5 s GLU 117 Ca 0.72 -0.65 0.03 0.00 0.02 0.00 0.00 54.97 55.09 1jh5 s GLU 117 Cb -0.25 -1.27 -0.04 0.00 0.10 0.00 0.00 34.13 32.67 1jh5 s GLU 117 CO 0.38 0.34 -0.04 -0.51 0.02 0.00 0.00 175.26 175.45 1jh5 s LEU 118 N -0.57 3.31 0.04 1.80 1.43 0.52 -1.09 118.68 124.12 1jh5 s LEU 118 Ca 0.06 -0.12 -0.15 0.00 -1.03 0.00 0.00 54.13 52.89 1jh5 s LEU 118 Cb -0.07 -1.92 0.02 0.00 0.03 0.00 0.00 46.19 44.25 1jh5 s LEU 118 CO -0.00 0.26 0.33 0.00 0.23 0.00 0.00 176.35 177.18 1jh5 s GLN 119 N -1.60 0.83 -0.22 1.70 -2.07 -0.67 -1.16 119.66 116.47 1jh5 s GLN 119 Ca 0.19 -0.45 -0.05 0.00 -1.82 0.00 0.00 55.36 53.24 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 0.00 175.29 172.61 1jh5 s LEU 120 N -2.00 3.04 -0.00 2.60 1.98 -1.26 -0.58 118.68 122.46 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 -0.03 -0.01 -0.16 0.00 -1.89 0.00 0.00 176.35 174.27 1jh5 s ALA 121 N 1.42 1.32 -0.26 5.97 0.00 0.13 -4.48 121.76 125.86 1jh5 s ALA 121 Ca 0.05 -0.72 -0.07 0.00 0.00 0.00 0.00 51.96 51.22 1jh5 s ALA 121 Cb -0.14 -0.31 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 1jh5 s ALA 121 CO -0.01 0.31 0.05 0.42 0.00 0.00 0.00 175.76 176.54 1jh5 s ILE 122 N -0.46 4.01 -0.47 0.00 1.01 -0.43 0.11 121.20 124.97 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 -0.06 -2.94 -0.10 0.00 0.01 0.00 0.00 42.46 39.36 1jh5 s ILE 122 CO -0.00 0.25 2.20 -2.65 0.00 0.00 0.00 174.94 174.74 1jh5 n PRO 123 N 4.88 1.63 -3.80 2.79 -0.02 -1.26 -0.39 135.00 138.83 1jh5 n PRO 123 Ca -0.16 -1.02 -0.10 0.00 -2.02 0.00 0.00 63.50 60.20 1jh5 n PRO 123 Cb 0.50 -2.12 -0.07 0.00 -0.02 0.00 0.00 33.50 31.79 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 2.63 0.83 -0.05 -0.52 0.52 -1.24 -4.98 118.95 116.15 1jh5 s ARG 124 Ca 0.39 -0.73 -0.26 0.00 -0.52 0.00 0.00 55.73 54.61 1jh5 s ARG 124 Cb 0.14 0.35 -0.21 0.00 0.52 0.00 0.00 34.95 35.75 1jh5 s ARG 124 CO -0.02 -0.27 1.11 0.93 0.02 0.00 0.00 175.30 177.07 1jh5 h GLU 125 N 2.97 -0.04 -2.04 3.54 5.08 -1.86 -1.35 114.58 120.88 1jh5 h GLU 125 Ca -0.33 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.51 1jh5 h GLU 125 Cb 1.21 0.01 -0.40 0.00 0.50 0.00 0.00 28.75 30.06 1jh5 h GLU 125 CO 0.51 0.55 -1.08 0.09 -1.00 0.00 0.00 179.01 178.07 1jh5 n ASN 126 N -4.82 1.13 -4.58 1.42 4.13 -1.26 -4.51 115.26 106.77 1jh5 n ASN 126 Ca -0.09 -3.00 -0.51 0.00 1.68 0.00 0.00 54.58 52.67 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 0.62 -1.10 -2.75 5.41 0.00 -1.26 -4.87 120.51 116.56 1jh5 n ALA 127 Ca 0.25 0.50 -0.42 0.00 0.00 0.00 0.00 53.44 53.76 1jh5 n ALA 127 Cb 0.58 -2.03 -0.04 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 0.07 3.15 0.26 0.00 -1.52 -1.26 -4.99 119.66 115.37 1jh5 s GLN 128 Ca 0.80 -0.66 0.12 0.00 -1.95 0.00 0.00 55.36 53.67 1jh5 s GLN 128 Cb -0.93 -4.24 -0.05 0.00 -0.22 0.00 0.00 33.01 27.57 1jh5 s GLN 128 CO 0.50 -1.93 -0.21 0.42 -0.25 0.00 0.00 175.29 173.82 1jh5 s ILE 129 N 4.60 2.44 -0.22 1.08 1.09 -1.26 -0.63 121.20 128.30 1jh5 s ILE 129 Ca 0.27 -2.32 -0.09 0.00 -1.10 0.00 0.00 60.65 57.40 1jh5 s ILE 129 Cb -0.14 -2.25 -0.05 0.00 -1.06 0.00 0.00 42.46 38.96 1jh5 s ILE 129 CO 0.11 -0.34 0.13 -0.55 -0.10 0.00 0.00 174.94 174.19 1jh5 s SER 130 N -3.31 5.90 -0.43 3.58 0.15 -0.77 -4.86 113.70 113.96 1jh5 s SER 130 Ca 0.28 0.08 0.02 0.00 0.70 0.00 0.00 55.95 57.03 1jh5 s SER 130 Cb -0.06 -2.05 0.52 0.00 -1.71 0.00 0.00 66.02 62.73 1jh5 s SER 130 CO 0.14 0.09 1.85 0.18 1.20 0.00 0.00 173.24 176.69 1jh5 n LEU 131 N 4.12 6.49 -4.79 3.45 4.32 -1.26 -4.52 117.00 124.82 1jh5 n LEU 131 Ca -0.16 -3.48 -0.38 0.00 -0.02 0.00 0.00 56.01 51.97 1jh5 n LEU 131 Cb 0.52 -0.84 -0.06 0.00 -1.62 0.00 0.00 43.42 41.42 1jh5 n LEU 131 CO 0.35 1.08 0.46 -1.81 -1.22 0.00 0.00 177.39 176.25 1jh5 s ASP 132 N -1.04 7.29 0.51 -1.43 -0.00 -1.26 -2.96 116.67 117.78 1jh5 s ASP 132 Ca 0.50 1.58 0.24 0.00 -0.00 0.00 0.00 52.55 54.88 1jh5 s ASP 132 Cb 0.42 -2.48 1.33 0.00 -0.00 0.00 0.00 42.92 42.19 1jh5 s ASP 132 CO 0.07 0.16 1.95 1.23 -0.00 0.00 0.00 175.17 178.58 1jh5 h GLY 133 N 4.07 0.18 0.40 0.21 0.00 -1.84 -2.34 103.07 103.75 1jh5 h GLY 133 Ca -0.47 -0.04 -0.02 0.00 0.00 0.00 0.00 47.33 46.80 1jh5 h GLY 133 CO 0.66 0.01 -0.15 -0.55 0.00 0.00 0.00 176.54 176.51 1jh5 h ASP 134 N 0.10 -0.36 -0.30 0.19 3.32 -1.96 -3.39 116.42 114.03 1jh5 h ASP 134 Ca 0.32 -0.13 -0.12 0.00 0.02 0.00 0.00 57.03 57.13 1jh5 h ASP 134 Cb 1.14 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 1jh5 h ASP 134 CO -0.04 0.12 -0.22 -0.37 -1.72 0.00 0.00 179.24 177.01 1jh5 h VAL 135 N -1.02 1.27 -3.15 -1.35 -1.51 -1.88 -3.43 116.25 105.17 1jh5 h VAL 135 Ca -0.04 -1.34 -0.58 0.00 -1.23 0.00 0.00 66.70 63.51 1jh5 h VAL 135 Cb 0.46 1.21 -0.36 0.00 -2.13 0.00 0.00 31.29 30.47 1jh5 h VAL 135 CO 0.07 0.45 -0.82 0.42 -1.23 0.00 0.00 177.57 176.45 1jh5 s THR 136 N -4.61 1.40 0.15 7.19 -4.23 -0.90 -3.74 115.64 110.91 1jh5 s THR 136 Ca -0.09 -0.53 -0.08 0.00 -1.18 0.00 0.00 61.69 59.81 1jh5 s THR 136 Cb 0.13 -1.34 -0.01 0.00 1.34 0.00 0.00 72.50 72.62 1jh5 s THR 136 CO 0.84 0.43 0.24 0.72 -0.54 0.00 0.00 174.62 176.30 1jh5 s PHE 137 N 1.50 0.46 -0.06 3.99 -0.12 -0.36 -2.28 117.98 121.10 1jh5 s PHE 137 Ca 0.04 -0.83 0.03 0.00 -0.05 0.00 0.00 56.93 56.11 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 -0.14 0.12 -0.05 0.00 0.00 175.22 174.39 1jh5 s PHE 138 N -3.97 1.60 0.00 3.49 5.36 -0.77 -1.50 117.98 122.19 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 41.58 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 3.65 -0.77 0.58 13.12 0.00 0.42 -1.68 105.19 120.51 1jh5 n GLY 139 Ca -0.22 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.38 -3.39 4.61 0.00 -1.20 -4.40 120.51 111.75 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 1.47 -0.09 0.00 0.20 0.23 -1.99 118.68 118.49 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 -0.07 0.71 -0.75 -0.29 0.00 0.00 176.35 175.95 1jh5 s LYS 142 N 0.62 4.40 0.51 1.98 2.20 0.27 -0.42 119.74 129.30 1jh5 s LYS 142 Ca -0.05 0.87 -0.13 0.00 -0.36 0.00 0.00 55.97 56.30 1jh5 s LYS 142 Cb -0.08 -3.47 -0.07 0.00 -1.51 0.00 0.00 37.83 32.70 1jh5 s LYS 142 CO -0.02 -0.00 0.94 -0.51 -0.36 0.00 0.00 175.35 175.40 1jh5 s LEU 143 N 1.03 3.59 0.00 5.43 1.43 0.03 -4.39 118.68 125.80 1jh5 s LEU 143 Ca 0.37 1.41 0.29 0.00 -1.03 0.00 0.00 54.13 55.17 1jh5 s LEU 143 Cb -0.17 -4.36 1.21 0.00 0.03 0.00 0.00 46.19 42.89 1jh5 s LEU 143 CO 0.17 -0.61 1.83 0.18 0.23 0.00 0.00 176.35 178.16