#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j5h n ALA 2 N 0.00 0.40 -2.39 0.00 0.00 -1.26 -5.09 120.51 112.17 1j5h n ALA 2 Ca 0.00 -1.78 -0.43 0.00 0.00 0.00 0.00 53.44 51.23 1j5h n ALA 2 Cb 0.00 1.06 -0.02 0.00 0.00 0.00 0.00 19.45 20.49 1j5h n ALA 2 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1j5h s PRO 3 N -3.39 3.98 0.00 0.00 0.04 -1.26 -4.93 135.00 129.44 1j5h s PRO 3 Ca 0.07 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.50 1j5h s PRO 3 Cb 0.00 -3.87 0.00 0.00 0.04 0.00 0.00 34.50 30.67 1j5h s PRO 3 CO 0.05 -1.04 0.00 -2.37 0.04 0.00 0.00 177.00 173.68 1j5h n THR 4 N 6.02 0.00 -3.91 1.26 5.66 0.17 -4.62 114.28 118.86 1j5h n THR 4 Ca 0.15 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.94 1j5h n THR 4 Cb 0.46 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.21 1j5h n THR 4 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1j5h s ALA 5 N -2.00 3.85 0.09 1.79 0.00 -1.26 0.12 121.76 124.35 1j5h s ALA 5 Ca 0.00 -1.41 -0.13 0.00 0.00 0.00 0.00 51.96 50.43 1j5h s ALA 5 Cb 0.00 -1.48 0.02 0.00 0.00 0.00 0.00 23.12 21.66 1j5h s ALA 5 CO 0.00 0.16 0.30 0.95 0.00 0.00 0.00 175.76 177.17 1j5h s THR 6 N -2.12 0.10 -0.13 0.00 -4.23 -0.33 -4.47 115.64 104.45 1j5h s THR 6 Ca 0.37 -0.81 -0.15 0.00 -1.18 0.00 0.00 61.69 59.92 1j5h s THR 6 Cb -0.08 -1.16 -0.05 0.00 1.34 0.00 0.00 72.50 72.55 1j5h s THR 6 CO 0.28 -0.45 0.34 -0.69 -0.54 0.00 0.00 174.62 173.56 1j5h s VAL 7 N -3.47 5.26 0.16 2.29 1.01 -1.26 -1.55 120.40 122.84 1j5h s VAL 7 Ca 0.01 0.66 -0.20 0.00 0.00 0.00 0.00 61.98 62.45 1j5h s VAL 7 Cb 0.02 -3.67 0.07 0.00 0.00 0.00 0.00 36.38 32.80 1j5h s VAL 7 CO -0.09 0.40 1.27 0.41 0.00 0.00 0.00 175.10 177.09 1j5h n THR 8 N 3.35 -0.50 -0.02 3.92 -1.04 -0.55 -4.42 114.28 115.02 1j5h n THR 8 Ca -0.11 1.95 0.00 0.00 -2.04 0.00 0.00 64.05 63.85 1j5h n THR 8 Cb 0.52 -2.49 0.00 0.00 -1.82 0.00 0.00 70.33 66.54 1j5h n THR 8 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1j5h n PRO 9 N -5.11 0.96 -0.88 -2.82 -0.04 -1.26 -5.04 135.00 120.80 1j5h n PRO 9 Ca 0.05 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.48 1j5h n PRO 9 Cb 0.27 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.70 1j5h n PRO 9 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1j5h n SER 10 N -0.09 -0.33 -2.70 3.54 3.41 -1.26 -4.95 113.62 111.24 1j5h n SER 10 Ca 0.00 -1.70 -0.07 0.00 -0.26 0.00 0.00 58.87 56.84 1j5h n SER 10 Cb 0.00 0.08 0.09 0.00 -0.26 0.00 0.00 64.21 64.12 1j5h n SER 10 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1j5h n SER 11 N 0.07 -1.88 -0.12 4.04 7.64 -1.26 -1.54 113.62 120.58 1j5h n SER 11 Ca -0.12 -2.82 0.26 0.00 1.01 0.00 0.00 58.87 57.20 1j5h n SER 11 Cb 0.71 1.47 0.50 0.00 -1.01 0.00 0.00 64.21 65.88 1j5h n SER 11 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1j5h h GLY 12 N 2.41 0.00 0.00 0.23 0.00 -1.86 -3.42 103.07 100.44 1j5h h GLY 12 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1j5h h GLY 12 CO 0.02 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.60 1j5h n LEU 13 N -3.32 0.00 -3.24 3.11 4.77 -0.50 -4.57 117.00 113.24 1j5h n LEU 13 Ca 0.19 0.00 -0.46 0.00 -0.03 0.00 0.00 56.01 55.70 1j5h n LEU 13 Cb 1.30 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 42.32 1j5h n LEU 13 CO 0.24 0.00 0.85 -0.24 -1.33 0.00 0.00 177.39 176.91 1j5h n SER 14 N 1.03 0.79 -4.60 -1.43 2.88 -1.26 -1.70 113.62 109.34 1j5h n SER 14 Ca 0.00 0.78 -0.43 0.00 -1.33 0.00 0.00 58.87 57.89 1j5h n SER 14 Cb 0.00 -0.61 -0.03 0.00 -0.75 0.00 0.00 64.21 62.82 1j5h n SER 14 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 1j5h s ASP 15 N 2.37 5.47 0.00 -3.46 1.47 -1.26 -0.67 116.67 120.59 1j5h s ASP 15 Ca 0.74 1.85 0.00 0.00 1.18 0.00 0.00 52.55 56.33 1j5h s ASP 15 Cb -1.04 -2.51 0.00 0.00 -0.34 0.00 0.00 42.92 39.03 1j5h s ASP 15 CO 0.55 -1.96 0.00 0.61 0.68 0.00 0.00 175.17 175.06 1j5h n GLY 16 N 5.75 1.12 3.56 2.12 0.00 -1.23 -4.69 105.19 111.81 1j5h n GLY 16 Ca 0.29 -0.48 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 1j5h n GLY 16 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1j5h s THR 17 N -2.00 3.43 -0.87 2.61 -1.32 0.16 -4.57 115.64 113.07 1j5h s THR 17 Ca 0.00 -0.11 -0.25 0.00 -1.21 0.00 0.00 61.69 60.13 1j5h s THR 17 Cb 0.00 -4.03 0.02 0.00 -1.51 0.00 0.00 72.50 66.98 1j5h s THR 17 CO 0.00 -0.99 1.52 -0.69 -2.21 0.00 0.00 174.62 172.25 1j5h s VAL 18 N 9.36 3.73 0.55 5.08 1.01 -1.25 -1.81 120.40 137.05 1j5h s VAL 18 Ca 0.67 -0.25 0.05 0.00 0.00 0.00 0.00 61.98 62.45 1j5h s VAL 18 Cb -0.09 -4.73 0.04 0.00 0.00 0.00 0.00 36.38 31.59 1j5h s VAL 18 CO 0.09 -1.65 0.35 0.68 0.00 0.00 0.00 175.10 174.57 1j5h s VAL 19 N 6.45 1.51 0.32 2.92 -7.23 -0.47 -4.79 120.40 119.11 1j5h s VAL 19 Ca 0.49 -1.57 -0.29 0.00 -1.81 0.00 0.00 61.98 58.81 1j5h s VAL 19 Cb -0.05 -2.07 -0.10 0.00 0.56 0.00 0.00 36.38 34.72 1j5h s VAL 19 CO 0.02 0.00 1.23 -0.54 -0.31 0.00 0.00 175.10 175.50 1j5h s LYS 20 N -4.24 4.41 -0.03 4.82 1.02 -1.26 -0.52 119.74 123.93 1j5h s LYS 20 Ca 0.29 2.06 -0.03 0.00 0.02 0.00 0.00 55.97 58.30 1j5h s LYS 20 Cb -0.02 -3.07 0.01 0.00 -0.52 0.00 0.00 37.83 34.23 1j5h s LYS 20 CO 0.18 -0.08 0.08 0.08 -0.92 0.00 0.00 175.35 174.69 1j5h s VAL 21 N -1.17 0.00 0.04 3.17 1.01 0.34 -1.48 120.40 122.31 1j5h s VAL 21 Ca 0.48 -0.04 -0.02 0.00 0.00 0.00 0.00 61.98 62.40 1j5h s VAL 21 Cb -0.37 -0.14 -0.02 0.00 0.00 0.00 0.00 36.38 35.85 1j5h s VAL 21 CO 0.48 -0.02 0.01 0.00 0.00 0.00 0.00 175.10 175.57 1j5h s ALA 22 N -0.03 0.21 0.00 5.51 0.00 -0.59 -0.36 121.76 126.50 1j5h s ALA 22 Ca -0.01 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.12 1j5h s ALA 22 Cb -0.01 0.24 0.00 0.00 0.00 0.00 0.00 23.12 23.35 1j5h s ALA 22 CO 0.00 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 175.87 1j5h n GLY 23 N 0.71 1.07 0.00 0.00 0.00 0.91 -1.19 105.19 106.69 1j5h n GLY 23 Ca -0.18 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 43.69 1j5h n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j5h n ALA 24 N 0.45 0.00 0.26 4.61 0.00 0.32 -1.64 120.51 124.51 1j5h n ALA 24 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1j5h n ALA 24 Cb 0.00 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.58 1j5h n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j5h n GLY 25 N 0.00 -0.26 3.64 0.00 0.00 -1.26 0.43 105.19 107.74 1j5h n GLY 25 Ca 0.00 -0.03 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 1j5h n GLY 25 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1j5h n LEU 26 N -1.11 -3.07 0.00 0.99 7.94 -1.04 -4.85 117.00 115.86 1j5h n LEU 26 Ca 0.03 -0.92 0.00 0.00 -1.11 0.00 0.00 56.01 54.01 1j5h n LEU 26 Cb 0.02 -2.38 0.00 0.00 0.53 0.00 0.00 43.42 41.59 1j5h n LEU 26 CO 0.03 0.31 0.00 1.67 -1.11 0.00 0.00 177.39 178.29 1j5h n GLN 27 N -3.79 0.00 -2.98 1.96 -0.06 0.22 -4.57 117.38 108.17 1j5h n GLN 27 Ca -0.11 0.00 0.04 0.00 -2.00 0.00 0.00 57.00 54.93 1j5h n GLN 27 Cb 0.59 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.77 1j5h n GLN 27 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1j5h s ALA 28 N -4.00 -4.31 -1.15 1.69 0.00 -1.26 -3.14 121.76 109.60 1j5h s ALA 28 Ca 0.00 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.30 1j5h s ALA 28 Cb 0.00 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 20.19 1j5h s ALA 28 CO 0.00 -2.29 0.00 0.41 0.00 0.00 0.00 175.76 173.88 1j5h n GLY 29 N 4.46 1.03 3.87 0.00 0.00 -1.24 -4.90 105.19 108.41 1j5h n GLY 29 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 1j5h n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j5h s THR 30 N -1.91 4.70 0.48 2.61 2.01 -1.26 -4.40 115.64 117.86 1j5h s THR 30 Ca 0.00 0.85 -0.21 0.00 0.31 0.00 0.00 61.69 62.63 1j5h s THR 30 Cb 0.00 -3.83 -0.08 0.00 0.01 0.00 0.00 72.50 68.60 1j5h s THR 30 CO 0.00 -0.97 1.09 0.00 -0.69 0.00 0.00 174.62 174.05 1j5h s ALA 31 N -2.95 2.89 -0.43 7.40 0.00 -1.26 -0.98 121.76 126.43 1j5h s ALA 31 Ca 0.55 0.75 0.05 0.00 0.00 0.00 0.00 51.96 53.30 1j5h s ALA 31 Cb -0.11 -3.31 0.17 0.00 0.00 0.00 0.00 23.12 19.88 1j5h s ALA 31 CO 0.46 -0.47 0.41 0.71 0.00 0.00 0.00 175.76 176.88 1j5h s TYR 32 N -1.77 0.56 -0.26 0.00 2.02 0.11 -4.83 117.35 113.18 1j5h s TYR 32 Ca 0.66 -1.98 -0.36 0.00 -0.37 0.00 0.00 57.07 55.02 1j5h s TYR 32 Cb -0.22 -0.67 -0.13 0.00 -0.40 0.00 0.00 41.96 40.54 1j5h s TYR 32 CO 0.26 -0.92 1.98 -3.47 -1.57 0.00 0.00 175.55 171.83 1j5h n ASP 33 N 2.89 2.56 -4.72 2.29 -0.08 0.49 -1.80 116.55 118.18 1j5h n ASP 33 Ca 0.27 0.76 -0.39 0.00 -1.51 0.00 0.00 54.79 53.92 1j5h n ASP 33 Cb 0.49 -1.25 0.04 0.00 2.34 0.00 0.00 41.12 42.74 1j5h n ASP 33 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1j5h n VAL 34 N 5.89 3.75 -3.65 5.18 0.31 0.28 0.70 118.33 130.80 1j5h n VAL 34 Ca 0.32 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1j5h n VAL 34 Cb 0.22 -1.56 0.00 0.00 -0.91 0.00 0.00 33.84 31.58 1j5h n VAL 34 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1j5h n GLY 35 N 0.85 5.05 0.00 2.92 0.00 -0.52 -4.15 105.19 109.34 1j5h n GLY 35 Ca 0.11 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.23 1j5h n GLY 35 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1j5h n GLN 36 N 0.00 0.00 -4.46 1.61 6.02 -1.26 -4.11 117.38 115.18 1j5h n GLN 36 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.77 1j5h n GLN 36 Cb 0.00 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.16 1j5h n GLN 36 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1j5h s ALA 38 N -3.29 0.17 -0.21 0.00 0.00 0.12 0.11 121.76 118.66 1j5h s ALA 38 Ca 0.35 0.24 -0.15 0.00 0.00 0.00 0.00 51.96 52.41 1j5h s ALA 38 Cb 0.08 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 1j5h s ALA 38 CO 0.15 -0.26 0.35 -0.46 0.00 0.00 0.00 175.76 175.54 1j5h s TRP 39 N 1.52 3.37 -0.09 0.00 -0.00 -1.26 0.36 118.94 122.83 1j5h s TRP 39 Ca -0.03 0.54 0.10 0.00 -0.00 0.00 0.00 56.10 56.71 1j5h s TRP 39 Cb -0.13 -2.47 -0.14 0.00 -0.00 0.00 0.00 33.47 30.73 1j5h s TRP 39 CO -0.03 0.01 0.07 0.28 -0.00 0.00 0.00 176.95 177.29 1j5h n VAL 40 N 4.30 0.61 0.00 5.86 0.31 0.97 -4.75 118.33 125.63 1j5h n VAL 40 Ca -0.10 -0.42 0.00 0.00 -0.01 0.00 0.00 64.34 63.81 1j5h n VAL 40 Cb 0.51 -0.55 0.00 0.00 -0.91 0.00 0.00 33.84 32.89 1j5h n VAL 40 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1j5h n ASP 41 N -2.31 0.00 -4.55 4.52 10.43 -1.21 -4.91 116.55 118.52 1j5h n ASP 41 Ca -0.15 0.00 -0.14 0.00 2.57 0.00 0.00 54.79 57.07 1j5h n ASP 41 Cb 0.75 0.00 -0.10 0.00 1.84 0.00 0.00 41.12 43.62 1j5h n ASP 41 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 177.20 176.54 1j5h n THR 42 N -0.03 0.00 0.00 -3.53 -1.04 -1.26 0.12 114.28 108.53 1j5h n THR 42 Ca 0.00 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.51 1j5h n THR 42 Cb 0.00 -1.67 0.00 0.00 -1.82 0.00 0.00 70.33 66.84 1j5h n THR 42 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1j5h n GLY 43 N 6.59 1.01 2.28 3.41 0.00 -1.26 -4.95 105.19 112.27 1j5h n GLY 43 Ca 0.50 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.24 1j5h n GLY 43 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1j5h n VAL 44 N -1.25 3.30 -3.35 1.61 0.31 0.32 -4.68 118.33 114.59 1j5h n VAL 44 Ca 0.00 -2.69 -0.44 0.00 -0.01 0.00 0.00 64.34 61.20 1j5h n VAL 44 Cb 0.00 -1.29 -0.07 0.00 -0.91 0.00 0.00 33.84 31.56 1j5h n VAL 44 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1j5h s LEU 45 N -2.94 5.58 -0.33 7.52 1.98 -1.25 -0.02 118.68 129.22 1j5h s LEU 45 Ca 0.51 -1.31 -0.17 0.00 -2.89 0.00 0.00 54.13 50.27 1j5h s LEU 45 Cb 0.39 -2.22 -0.01 0.00 0.66 0.00 0.00 46.19 45.01 1j5h s LEU 45 CO -0.09 -0.70 0.45 0.00 -1.89 0.00 0.00 176.35 174.12 1j5h s ALA 46 N 1.78 3.50 0.59 5.97 0.00 0.16 -4.12 121.76 129.64 1j5h s ALA 46 Ca 0.05 -1.00 -0.07 0.00 0.00 0.00 0.00 51.96 50.94 1j5h s ALA 46 Cb -0.24 -2.91 -0.01 0.00 0.00 0.00 0.00 23.12 19.96 1j5h s ALA 46 CO 0.07 -1.06 0.92 0.00 0.00 0.00 0.00 175.76 175.69 1j5h s ASN 48 N -4.25 5.18 0.00 0.00 3.04 0.30 -0.66 114.94 118.55 1j5h s ASN 48 Ca 0.53 -3.07 0.00 0.00 0.04 0.00 0.00 52.86 50.36 1j5h s ASN 48 Cb -0.11 -1.82 0.00 0.00 -1.54 0.00 0.00 41.25 37.79 1j5h s ASN 48 CO 0.47 -0.30 1.36 -0.81 -3.04 0.00 0.00 177.10 174.78 1j5h n PRO 49 N 3.16 0.75 0.00 0.43 -0.04 -1.26 -2.16 135.00 135.88 1j5h n PRO 49 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1j5h n PRO 49 Cb 0.37 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 1j5h n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j5h n ALA 50 N 1.44 0.95 -0.29 0.55 0.00 -1.26 -4.84 120.51 117.06 1j5h n ALA 50 Ca 0.00 -0.34 -0.00 0.00 0.00 0.00 0.00 53.44 53.10 1j5h n ALA 50 Cb 0.37 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.89 1j5h n ALA 50 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1j5h h ASP 51 N 0.00 -1.03 0.00 0.00 3.04 -1.70 -3.42 116.42 113.31 1j5h h ASP 51 Ca 0.00 0.26 0.00 0.00 -3.24 0.00 0.00 57.03 54.05 1j5h h ASP 51 Cb 0.54 0.59 0.00 0.00 -1.04 0.00 0.00 39.33 39.42 1j5h h ASP 51 CO 0.00 -0.29 0.00 0.49 -2.04 0.00 0.00 179.24 177.40 1j5h n PHE 52 N -5.49 0.00 -0.69 4.15 3.72 -1.26 -4.85 117.46 113.04 1j5h n PHE 52 Ca 0.09 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.27 1j5h n PHE 52 Cb 0.40 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.94 1j5h n PHE 52 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1j5h n SER 53 N 0.52 -1.55 -3.82 4.37 7.64 -1.26 -4.52 113.62 115.01 1j5h n SER 53 Ca 0.00 0.43 -0.13 0.00 1.01 0.00 0.00 58.87 60.18 1j5h n SER 53 Cb 0.00 -0.47 -0.14 0.00 -1.01 0.00 0.00 64.21 62.59 1j5h n SER 53 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1j5h s SER 54 N -0.53 -0.06 0.29 6.43 1.04 -1.26 0.10 113.70 119.71 1j5h s SER 54 Ca 0.31 0.16 0.06 0.00 0.48 0.00 0.00 55.95 56.96 1j5h s SER 54 Cb -0.34 0.12 -0.06 0.00 0.10 0.00 0.00 66.02 65.85 1j5h s SER 54 CO 0.33 -0.06 -0.03 0.54 0.98 0.00 0.00 173.24 175.00 1j5h s VAL 55 N 0.39 1.55 0.13 5.02 0.11 -0.74 -4.83 120.40 122.03 1j5h s VAL 55 Ca -0.03 -2.09 0.09 0.00 -2.93 0.00 0.00 61.98 57.02 1j5h s VAL 55 Cb -0.04 -2.53 -0.04 0.00 -1.53 0.00 0.00 36.38 32.24 1j5h s VAL 55 CO -0.01 -0.24 -0.22 -0.89 -3.33 0.00 0.00 175.10 170.41 1j5h s THR 56 N -3.06 1.92 0.80 5.04 2.01 -1.26 0.09 115.64 121.17 1j5h s THR 56 Ca 0.31 -1.70 -0.11 0.00 0.31 0.00 0.00 61.69 60.50 1j5h s THR 56 Cb 0.05 -1.76 0.08 0.00 0.01 0.00 0.00 72.50 70.88 1j5h s THR 56 CO 0.13 -0.07 1.16 0.00 -0.69 0.00 0.00 174.62 175.14 1j5h s ALA 57 N -1.32 2.73 -0.11 7.40 0.00 -0.16 -2.52 121.76 127.78 1j5h s ALA 57 Ca 0.11 -0.71 -0.00 0.00 0.00 0.00 0.00 51.96 51.36 1j5h s ALA 57 Cb -0.09 -2.89 0.02 0.00 0.00 0.00 0.00 23.12 20.16 1j5h s ALA 57 CO 0.06 -1.64 -0.07 0.16 0.00 0.00 0.00 175.76 174.27 1j5h s ASP 58 N -4.58 2.15 0.00 0.00 1.47 0.22 -3.65 116.67 112.28 1j5h s ASP 58 Ca 0.62 -0.29 0.00 0.00 1.18 0.00 0.00 52.55 54.06 1j5h s ASP 58 Cb -0.11 -0.82 0.00 0.00 -0.34 0.00 0.00 42.92 41.65 1j5h s ASP 58 CO 0.48 -0.12 0.00 0.00 0.68 0.00 0.00 175.17 176.21 1j5h n ALA 59 N 4.94 0.00 -0.28 2.11 0.00 -1.26 0.15 120.51 126.18 1j5h n ALA 59 Ca -0.12 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.45 1j5h n ALA 59 Cb 0.50 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.21 1j5h n ALA 59 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1j5h n ASN 60 N 0.50 -0.06 0.00 0.00 4.13 -1.26 -4.09 115.26 114.48 1j5h n ASN 60 Ca 0.00 1.38 0.00 0.00 1.68 0.00 0.00 54.58 57.64 1j5h n ASN 60 Cb 0.00 -0.52 0.00 0.00 -1.54 0.00 0.00 39.78 37.72 1j5h n ASN 60 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1j5h n GLY 61 N -1.39 0.36 3.74 7.41 0.00 0.40 -4.18 105.19 111.53 1j5h n GLY 61 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1j5h n GLY 61 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1j5h s SER 62 N -0.27 7.55 0.56 1.61 0.15 -1.20 -0.61 113.70 121.48 1j5h s SER 62 Ca 0.00 1.87 -0.16 0.00 0.70 0.00 0.00 55.95 58.36 1j5h s SER 62 Cb 0.00 -2.60 -0.05 0.00 -1.71 0.00 0.00 66.02 61.66 1j5h s SER 62 CO 0.00 0.01 1.03 0.00 1.20 0.00 0.00 173.24 175.49 1j5h s ALA 63 N -0.48 2.86 -0.28 5.45 0.00 -0.65 0.71 121.76 129.37 1j5h s ALA 63 Ca 0.45 0.34 -0.00 0.00 0.00 0.00 0.00 51.96 52.74 1j5h s ALA 63 Cb -0.25 -3.19 0.17 0.00 0.00 0.00 0.00 23.12 19.85 1j5h s ALA 63 CO 0.31 -0.57 0.50 -1.12 0.00 0.00 0.00 175.76 174.87 1j5h s SER 64 N -2.82 -0.61 -0.06 0.00 0.01 -1.05 -0.06 113.70 109.12 1j5h s SER 64 Ca 0.62 0.39 -0.30 0.00 1.31 0.00 0.00 55.95 57.98 1j5h s SER 64 Cb -0.14 1.64 0.10 0.00 0.21 0.00 0.00 66.02 67.83 1j5h s SER 64 CO 0.34 -0.29 1.33 0.28 0.41 0.00 0.00 173.24 175.31 1j5h s THR 65 N 2.70 0.00 -0.23 1.44 -1.32 0.52 -4.67 115.64 114.08 1j5h s THR 65 Ca 0.15 -0.09 -0.17 0.00 -1.21 0.00 0.00 61.69 60.37 1j5h s THR 65 Cb -0.14 -2.87 -0.03 0.00 -1.51 0.00 0.00 72.50 67.95 1j5h s THR 65 CO -0.21 0.00 0.46 -0.44 -2.21 0.00 0.00 174.62 172.22 1j5h s SER 66 N -3.79 6.45 0.06 8.08 0.01 -1.26 0.13 113.70 123.38 1j5h s SER 66 Ca 0.29 0.54 0.07 0.00 1.31 0.00 0.00 55.95 58.16 1j5h s SER 66 Cb 0.01 -2.26 -0.04 0.00 0.21 0.00 0.00 66.02 63.94 1j5h s SER 66 CO -0.02 -0.18 -0.14 -0.76 0.41 0.00 0.00 173.24 172.54 1j5h s LEU 67 N 1.79 2.82 -0.32 2.44 1.02 0.32 -4.85 118.68 121.89 1j5h s LEU 67 Ca 0.21 -0.40 -0.21 0.00 0.02 0.00 0.00 54.13 53.75 1j5h s LEU 67 Cb -0.15 -1.65 -0.00 0.00 0.02 0.00 0.00 46.19 44.41 1j5h s LEU 67 CO 0.09 0.23 0.69 0.28 0.02 0.00 0.00 176.35 177.65 1j5h s THR 68 N -1.05 4.87 -1.41 5.49 -1.32 -1.26 -1.37 115.64 119.59 1j5h s THR 68 Ca 0.17 0.89 -0.07 0.00 -1.21 0.00 0.00 61.69 61.47 1j5h s THR 68 Cb -0.11 -4.07 0.06 0.00 -1.51 0.00 0.00 72.50 66.87 1j5h s THR 68 CO 0.09 -0.23 2.53 0.52 -2.21 0.00 0.00 174.62 175.31 1j5h n VAL 69 N 5.51 4.93 -1.37 5.08 0.31 -0.75 -4.81 118.33 127.22 1j5h n VAL 69 Ca 0.01 -3.81 -0.52 0.00 -0.01 0.00 0.00 64.34 60.00 1j5h n VAL 69 Cb 0.49 -2.25 -0.06 0.00 -0.91 0.00 0.00 33.84 31.11 1j5h n VAL 69 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1j5h n ARG 70 N 2.39 0.00 -0.07 5.55 1.74 -1.26 -3.57 116.66 121.44 1j5h n ARG 70 Ca 0.66 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.68 1j5h n ARG 70 Cb 0.25 -1.25 -0.03 0.00 -1.02 0.00 0.00 32.46 30.41 1j5h n ARG 70 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 1j5h h ARG 71 N 2.18 0.00 -6.54 5.56 2.43 -1.79 -3.43 114.38 112.79 1j5h h ARG 71 Ca -0.41 0.00 -0.68 0.00 -0.81 0.00 0.00 59.98 58.09 1j5h h ARG 71 Cb 1.34 0.00 -0.29 0.00 -0.42 0.00 0.00 29.97 30.61 1j5h h ARG 71 CO 0.58 0.11 -0.88 -1.54 -1.51 0.00 0.00 179.97 176.74 1j5h s SER 72 N -5.84 2.97 0.00 -3.80 1.04 -1.26 -0.98 113.70 105.83 1j5h s SER 72 Ca -0.15 -0.50 -0.11 0.00 0.48 0.00 0.00 55.95 55.68 1j5h s SER 72 Cb 0.02 -0.31 0.03 0.00 0.10 0.00 0.00 66.02 65.87 1j5h s SER 72 CO 0.24 0.28 0.48 2.22 0.98 0.00 0.00 173.24 177.44 1j5h n PHE 73 N 2.21 -0.32 -4.47 5.02 1.16 -0.39 -4.91 117.46 115.76 1j5h n PHE 73 Ca -0.16 -0.30 -0.33 0.00 -1.87 0.00 0.00 57.45 54.78 1j5h n PHE 73 Cb 0.52 0.14 -0.10 0.00 -1.61 0.00 0.00 39.48 38.42 1j5h n PHE 73 CO 0.00 0.00 0.00 -2.00 -1.87 0.00 0.00 176.76 172.89 1j5h s GLU 74 N -2.01 2.73 0.00 3.97 -6.30 -1.25 -0.46 118.70 115.39 1j5h s GLU 74 Ca 0.11 -0.59 0.00 0.00 -2.50 0.00 0.00 54.97 51.99 1j5h s GLU 74 Cb -0.00 -2.61 0.00 0.00 0.00 0.00 0.00 34.13 31.51 1j5h s GLU 74 CO 0.00 0.64 0.00 0.41 0.02 0.00 0.00 175.26 176.33 1j5h n GLY 75 N 1.84 4.25 3.09 -1.50 0.00 -1.25 -4.67 105.19 106.95 1j5h n GLY 75 Ca -0.17 -1.18 -0.12 0.00 0.00 0.00 0.00 46.02 44.54 1j5h n GLY 75 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1j5h s PHE 76 N -2.02 -0.20 0.04 1.61 0.40 0.17 -0.86 117.98 117.13 1j5h s PHE 76 Ca 0.00 0.48 -0.25 0.00 -0.60 0.00 0.00 56.93 56.56 1j5h s PHE 76 Cb 0.00 0.07 -0.17 0.00 0.51 0.00 0.00 43.02 43.42 1j5h s PHE 76 CO 0.00 -0.13 1.51 -0.07 0.70 0.00 0.00 175.22 177.22 1j5h h LEU 77 N 5.62 -0.14 0.00 -0.37 3.38 -1.51 0.45 115.31 122.74 1j5h h LEU 77 Ca -0.26 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1j5h h LEU 77 Cb 1.19 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1j5h h LEU 77 CO 0.38 0.08 0.00 0.33 0.09 0.00 0.00 178.44 179.33 1j5h n PHE 78 N -5.07 0.00 -1.92 1.13 -0.00 -1.26 -4.57 117.46 105.77 1j5h n PHE 78 Ca -0.08 0.00 -0.03 0.00 -0.00 0.00 0.00 57.45 57.34 1j5h n PHE 78 Cb 0.16 -0.20 -0.01 0.00 -0.00 0.00 0.00 39.48 39.44 1j5h n PHE 78 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1j5h n ASP 79 N 0.79 -0.49 0.10 -2.13 2.03 -1.26 -5.01 116.55 110.57 1j5h n ASP 79 Ca 0.00 -1.04 0.00 0.00 0.52 0.00 0.00 54.79 54.27 1j5h n ASP 79 Cb 0.00 0.17 0.00 0.00 -0.72 0.00 0.00 41.12 40.57 1j5h n ASP 79 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1j5h n GLY 80 N -0.16 -1.70 3.76 0.27 0.00 -1.26 -4.97 105.19 101.12 1j5h n GLY 80 Ca -0.11 0.51 0.01 0.00 0.00 0.00 0.00 46.02 46.43 1j5h n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j5h s THR 81 N -1.80 0.00 0.46 2.61 2.01 -1.26 -5.07 115.64 112.59 1j5h s THR 81 Ca 0.00 -0.27 -0.22 0.00 0.31 0.00 0.00 61.69 61.51 1j5h s THR 81 Cb 0.00 -2.36 -0.08 0.00 0.01 0.00 0.00 72.50 70.07 1j5h s THR 81 CO 0.00 0.00 1.08 0.00 -0.69 0.00 0.00 174.62 175.01 1j5h s ARG 82 N -2.34 3.85 0.00 4.92 3.03 -1.26 -1.81 118.95 125.34 1j5h s ARG 82 Ca 0.19 1.53 0.00 0.00 2.03 0.00 0.00 55.73 59.48 1j5h s ARG 82 Cb 0.02 -2.29 0.00 0.00 -1.03 0.00 0.00 34.95 31.65 1j5h s ARG 82 CO -0.02 -0.42 0.00 1.87 -1.13 0.00 0.00 175.30 175.60 1j5h n TRP 83 N -0.62 0.00 -3.74 5.89 -0.00 -0.04 -4.79 117.44 114.14 1j5h n TRP 83 Ca 0.08 0.00 -0.02 0.00 -0.00 0.00 0.00 57.50 57.55 1j5h n TRP 83 Cb 0.50 0.00 -0.01 0.00 -0.00 0.00 0.00 31.31 31.81 1j5h n TRP 83 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 177.69 177.89 1j5h s GLY 84 N -0.56 -0.23 -0.67 5.87 0.00 -1.24 -4.71 107.32 105.78 1j5h s GLY 84 Ca 0.00 0.18 -0.27 0.00 0.00 0.00 0.00 44.72 44.63 1j5h s GLY 84 CO 0.00 0.30 1.88 2.41 0.00 0.00 0.00 173.10 177.68 1j5h n THR 85 N -0.50 0.52 -3.95 0.90 -1.04 -1.24 -3.77 114.28 105.20 1j5h n THR 85 Ca -0.06 -0.50 -0.23 0.00 -2.04 0.00 0.00 64.05 61.22 1j5h n THR 85 Cb 0.61 -2.07 -0.05 0.00 -1.82 0.00 0.00 70.33 67.00 1j5h n THR 85 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1j5h s VAL 86 N 11.18 2.94 -0.23 12.58 0.11 0.39 -4.75 120.40 142.63 1j5h s VAL 86 Ca 0.72 -1.57 -0.29 0.00 -2.93 0.00 0.00 61.98 57.91 1j5h s VAL 86 Cb 0.05 -3.03 0.00 0.00 -1.53 0.00 0.00 36.38 31.88 1j5h s VAL 86 CO 0.23 -0.12 1.15 1.51 -3.33 0.00 0.00 175.10 174.54 1j5h s ASP 87 N -3.94 6.98 0.14 3.54 1.47 -1.26 -1.27 116.67 122.33 1j5h s ASP 87 Ca 0.41 1.42 0.01 0.00 1.18 0.00 0.00 52.55 55.57 1j5h s ASP 87 Cb -0.02 -2.54 -0.10 0.00 -0.34 0.00 0.00 42.92 39.92 1j5h s ASP 87 CO 0.24 -0.77 1.31 0.00 0.68 0.00 0.00 175.17 176.63 1j5h h THR 89 N 0.10 0.52 0.00 0.00 1.03 -1.79 1.64 112.91 114.41 1j5h h THR 89 Ca -0.06 0.00 -0.05 0.00 -0.01 0.00 0.00 66.41 66.29 1j5h h THR 89 Cb 1.64 0.52 -0.01 0.00 -1.07 0.00 0.00 68.15 69.23 1j5h h THR 89 CO 0.15 0.00 -0.25 0.74 -0.01 0.00 0.00 175.52 176.15 1j5h h THR 90 N 0.00 0.71 -0.02 0.00 2.02 -1.86 -2.70 112.91 111.05 1j5h h THR 90 Ca 0.45 -1.07 0.00 0.00 0.77 0.00 0.00 66.41 66.56 1j5h h THR 90 Cb 1.83 1.68 0.00 0.00 -1.74 0.00 0.00 68.15 69.93 1j5h h THR 90 CO -0.00 0.24 0.00 0.00 0.37 0.00 0.00 175.52 176.13 1j5h n ALA 91 N -2.28 2.17 -3.46 6.16 0.00 0.47 -5.02 120.51 118.54 1j5h n ALA 91 Ca -0.01 -1.80 -0.25 0.00 0.00 0.00 0.00 53.44 51.38 1j5h n ALA 91 Cb 0.39 -0.22 0.01 0.00 0.00 0.00 0.00 19.45 19.63 1j5h n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j5h n ALA 92 N -0.89 -2.40 -1.00 0.00 0.00 0.36 -4.26 120.51 112.32 1j5h n ALA 92 Ca 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1j5h n ALA 92 Cb 0.46 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.96 1j5h n ALA 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j5h s GLN 94 N -2.16 0.75 -0.06 0.00 0.00 0.30 -2.14 119.66 116.36 1j5h s GLN 94 Ca 0.00 -0.56 0.01 0.00 -0.00 0.00 0.00 55.36 54.81 1j5h s GLN 94 Cb 0.00 0.32 0.02 0.00 0.00 0.00 0.00 33.01 33.35 1j5h s GLN 94 CO 0.00 -0.23 -0.08 0.54 0.00 0.00 0.00 175.29 175.52 1j5h s VAL 95 N -2.55 0.81 0.28 3.63 0.11 -0.66 -1.20 120.40 120.82 1j5h s VAL 95 Ca -0.05 -0.27 -0.01 0.00 -2.93 0.00 0.00 61.98 58.71 1j5h s VAL 95 Cb -0.01 -0.79 0.01 0.00 -1.53 0.00 0.00 36.38 34.06 1j5h s VAL 95 CO -0.04 0.29 0.39 0.61 -3.33 0.00 0.00 175.10 173.02 1j5h n GLY 96 N 4.04 2.33 3.80 6.54 0.00 -1.26 -0.29 105.19 120.35 1j5h n GLY 96 Ca -0.23 -1.57 -0.35 0.00 0.00 0.00 0.00 46.02 43.87 1j5h n GLY 96 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1j5h s LEU 97 N 0.00 4.17 -0.05 0.99 -0.00 -1.26 -1.43 118.68 121.09 1j5h s LEU 97 Ca 0.23 1.78 -0.01 0.00 -0.00 0.00 0.00 54.13 56.13 1j5h s LEU 97 Cb -0.01 -4.24 0.03 0.00 -0.00 0.00 0.00 46.19 41.97 1j5h s LEU 97 CO 0.17 -0.20 0.02 -0.55 -0.00 0.00 0.00 176.35 175.79 1j5h s SER 98 N -1.85 1.17 0.48 1.48 0.15 0.22 -4.75 113.70 110.60 1j5h s SER 98 Ca 0.55 -0.01 0.01 0.00 0.70 0.00 0.00 55.95 57.20 1j5h s SER 98 Cb -0.15 -0.28 0.01 0.00 -1.71 0.00 0.00 66.02 63.89 1j5h s SER 98 CO 0.19 -0.19 0.70 1.51 1.20 0.00 0.00 173.24 176.65 1j5h s ASP 99 N 1.84 5.64 -0.19 5.45 1.47 -1.26 0.19 116.67 129.81 1j5h s ASP 99 Ca 0.02 0.15 -0.00 0.00 1.18 0.00 0.00 52.55 53.90 1j5h s ASP 99 Cb -0.12 -1.27 0.17 0.00 -0.34 0.00 0.00 42.92 41.35 1j5h s ASP 99 CO -0.04 -0.85 1.78 0.00 0.68 0.00 0.00 175.17 176.75 1j5h n ALA 100 N -2.15 4.36 0.00 2.11 0.00 -1.26 -2.92 120.51 120.64 1j5h n ALA 100 Ca 0.04 -1.06 0.00 0.00 0.00 0.00 0.00 53.44 52.41 1j5h n ALA 100 Cb 0.58 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.82 1j5h n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j5h n ALA 101 N 0.48 0.00 -0.04 0.00 0.00 -1.26 -5.00 120.51 114.69 1j5h n ALA 101 Ca 0.20 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.64 1j5h n ALA 101 Cb 0.66 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.11 1j5h n ALA 101 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1j5h h GLY 102 N 0.00 0.00 0.00 0.00 0.00 -1.96 -3.48 103.07 97.63 1j5h h GLY 102 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1j5h h GLY 102 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 176.54 177.70 1j5h n ASN 103 N -4.24 0.00 0.00 0.19 6.94 -1.15 -4.89 115.26 112.11 1j5h n ASN 103 Ca -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1j5h n ASN 103 Cb 0.01 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.43 1j5h n ASN 103 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1j5h n GLY 104 N 0.00 0.78 3.63 4.83 0.00 -1.26 -4.87 105.19 108.30 1j5h n GLY 104 Ca 0.00 -1.93 -0.43 0.00 0.00 0.00 0.00 46.02 43.66 1j5h n GLY 104 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1j5h s PRO 105 N -1.94 3.86 -0.10 1.61 0.04 -1.26 -4.73 135.00 132.47 1j5h s PRO 105 Ca 0.00 1.25 0.04 0.00 0.04 0.00 0.00 61.00 62.33 1j5h s PRO 105 Cb 0.00 -3.92 0.12 0.00 0.04 0.00 0.00 34.50 30.74 1j5h s PRO 105 CO 0.00 -1.20 0.89 0.39 0.04 0.00 0.00 177.00 177.12 1j5h n GLU 106 N 7.46 0.41 -1.98 4.56 1.02 -1.26 -5.15 120.64 125.69 1j5h n GLU 106 Ca 0.15 -0.71 -0.29 0.00 -0.02 0.00 0.00 57.16 56.29 1j5h n GLU 106 Cb 0.47 0.40 0.17 0.00 -0.02 0.00 0.00 31.44 32.45 1j5h n GLU 106 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1j5h s GLY 107 N -0.69 1.76 -0.24 0.62 0.00 -1.26 -4.55 107.32 102.96 1j5h s GLY 107 Ca 0.03 -1.17 -0.07 0.00 0.00 0.00 0.00 44.72 43.50 1j5h s GLY 107 CO -0.04 -0.46 0.08 0.54 0.00 0.00 0.00 173.10 173.22 1j5h s VAL 108 N -3.79 4.45 -0.18 1.40 0.11 0.61 -4.62 120.40 118.37 1j5h s VAL 108 Ca 0.72 -0.13 -0.31 0.00 -2.93 0.00 0.00 61.98 59.33 1j5h s VAL 108 Cb -0.05 -3.07 -0.08 0.00 -1.53 0.00 0.00 36.38 31.66 1j5h s VAL 108 CO 0.52 0.35 2.13 0.00 -3.33 0.00 0.00 175.10 174.78 1j5h n ALA 109 N 4.69 1.50 -2.47 1.54 0.00 -1.26 -1.65 120.51 122.86 1j5h n ALA 109 Ca -0.16 -0.07 -0.30 0.00 0.00 0.00 0.00 53.44 52.91 1j5h n ALA 109 Cb 0.52 -2.76 -0.12 0.00 0.00 0.00 0.00 19.45 17.09 1j5h n ALA 109 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1j5h s ILE 110 N 6.96 2.73 -0.85 0.00 -1.09 -0.91 -4.93 121.20 123.11 1j5h s ILE 110 Ca 1.00 -1.48 -0.20 0.00 -2.23 0.00 0.00 60.65 57.73 1j5h s ILE 110 Cb -0.50 -2.22 0.11 0.00 -1.58 0.00 0.00 42.46 38.27 1j5h s ILE 110 CO 0.41 0.15 1.08 -0.44 -1.23 0.00 0.00 174.94 174.91 1j5h s SER 111 N -1.99 6.50 0.59 3.58 0.01 -0.59 -4.24 113.70 117.56 1j5h s SER 111 Ca 0.17 -1.75 -0.05 0.00 1.31 0.00 0.00 55.95 55.63 1j5h s SER 111 Cb -0.10 -2.40 0.02 0.00 0.21 0.00 0.00 66.02 63.74 1j5h s SER 111 CO 0.08 -1.17 0.89 -0.36 0.41 0.00 0.00 173.24 173.09 1j5h s PHE 112 N 3.08 3.19 -2.00 2.43 0.40 -1.26 -1.42 117.98 122.41 1j5h s PHE 112 Ca 0.30 0.55 0.15 0.00 -0.60 0.00 0.00 56.93 57.33 1j5h s PHE 112 Cb -0.08 -2.76 0.88 0.00 0.51 0.00 0.00 43.02 41.57 1j5h s PHE 112 CO -0.04 -0.86 1.30 0.09 0.70 0.00 0.00 175.22 176.41