#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j5h s ALA 2 N 0.00 3.47 -1.17 0.00 0.00 -1.26 -5.01 121.76 117.79 1j5h s ALA 2 Ca 0.00 -3.27 -0.19 0.00 0.00 0.00 0.00 51.96 48.50 1j5h s ALA 2 Cb 0.00 -2.45 -0.04 0.00 0.00 0.00 0.00 23.12 20.63 1j5h s ALA 2 CO 0.00 -2.07 1.95 -0.35 0.00 0.00 0.00 175.76 175.29 1j5h n PRO 3 N 3.32 2.28 -3.56 0.00 -0.04 -1.25 -4.50 135.00 131.26 1j5h n PRO 3 Ca 0.07 -2.56 -0.14 0.00 -0.04 0.00 0.00 63.50 60.83 1j5h n PRO 3 Cb 0.35 -3.37 -0.06 0.00 -0.04 0.00 0.00 33.50 30.39 1j5h n PRO 3 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1j5h s THR 4 N 5.97 0.00 0.37 0.52 -4.23 0.35 -4.21 115.64 114.41 1j5h s THR 4 Ca 0.57 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 61.15 1j5h s THR 4 Cb 0.08 -1.00 -0.01 0.00 1.34 0.00 0.00 72.50 72.91 1j5h s THR 4 CO 0.07 0.00 0.44 0.00 -0.54 0.00 0.00 174.62 174.59 1j5h s ALA 5 N -0.88 4.19 0.08 3.99 0.00 -1.26 0.44 121.76 128.32 1j5h s ALA 5 Ca -0.05 -1.62 -0.16 0.00 0.00 0.00 0.00 51.96 50.13 1j5h s ALA 5 Cb -0.01 -1.44 0.03 0.00 0.00 0.00 0.00 23.12 21.70 1j5h s ALA 5 CO 0.04 -0.11 0.38 0.95 0.00 0.00 0.00 175.76 177.02 1j5h s THR 6 N -2.29 0.07 -0.24 0.00 -4.23 0.11 -4.55 115.64 104.51 1j5h s THR 6 Ca 0.47 -0.58 -0.15 0.00 -1.18 0.00 0.00 61.69 60.25 1j5h s THR 6 Cb -0.08 -1.07 -0.04 0.00 1.34 0.00 0.00 72.50 72.66 1j5h s THR 6 CO 0.30 -0.32 0.39 -0.69 -0.54 0.00 0.00 174.62 173.76 1j5h s VAL 7 N -3.13 5.18 0.07 2.29 1.01 -1.26 -1.73 120.40 122.83 1j5h s VAL 7 Ca -0.01 0.63 -0.13 0.00 0.00 0.00 0.00 61.98 62.47 1j5h s VAL 7 Cb 0.01 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 1j5h s VAL 7 CO -0.07 0.19 0.68 0.41 0.00 0.00 0.00 175.10 176.31 1j5h n THR 8 N 4.79 -0.28 0.00 3.92 -1.04 -0.41 -3.01 114.28 118.24 1j5h n THR 8 Ca -0.08 1.06 0.00 0.00 -2.04 0.00 0.00 64.05 62.99 1j5h n THR 8 Cb 0.51 -1.31 0.00 0.00 -1.82 0.00 0.00 70.33 67.70 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 -4.40 0.00 -1.40 -2.82 -0.04 -1.26 -4.99 135.00 120.09 1j5h n PRO 9 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1j5h n PRO 9 Cb 0.11 -0.40 0.00 0.00 -0.04 0.00 0.00 33.50 33.17 1j5h n PRO 9 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1j5h n SER 10 N -0.27 -0.78 0.00 3.54 2.88 -1.16 -5.00 113.62 112.82 1j5h n SER 10 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1j5h n SER 10 Cb 0.00 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.10 1j5h n SER 10 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1j5h n SER 11 N 1.43 0.00 -3.48 -3.46 3.41 -1.25 -1.34 113.62 108.93 1j5h n SER 11 Ca 0.00 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.40 1j5h n SER 11 Cb 0.34 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.37 1j5h n SER 11 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1j5h n GLY 12 N -0.37 -0.45 0.00 5.00 0.00 -0.89 -4.83 105.19 103.65 1j5h n GLY 12 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1j5h n GLY 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1j5h n LEU 13 N -4.58 0.00 -3.75 0.99 4.32 -1.11 -4.96 117.00 107.90 1j5h n LEU 13 Ca -0.11 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 55.78 1j5h n LEU 13 Cb 0.60 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.35 1j5h n LEU 13 CO 0.62 0.00 0.16 -0.55 -1.22 0.00 0.00 177.39 176.40 1j5h s SER 14 N 0.13 -0.17 -0.18 -1.43 0.15 -1.26 -2.93 113.70 108.00 1j5h s SER 14 Ca 0.00 -0.51 -0.30 0.00 0.70 0.00 0.00 55.95 55.84 1j5h s SER 14 Cb 0.00 0.50 -0.07 0.00 -1.71 0.00 0.00 66.02 64.75 1j5h s SER 14 CO 0.00 -0.94 2.16 -0.90 1.20 0.00 0.00 173.24 174.76 1j5h n ASP 15 N -0.26 3.29 -0.16 5.45 5.75 -1.26 -0.71 116.55 128.65 1j5h n ASP 15 Ca -0.12 0.39 0.00 0.00 -0.01 0.00 0.00 54.79 55.05 1j5h n ASP 15 Cb 0.63 -1.51 0.00 0.00 -1.03 0.00 0.00 41.12 39.21 1j5h n ASP 15 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1j5h n GLY 16 N 5.58 0.88 3.51 6.12 0.00 -1.25 -4.74 105.19 115.29 1j5h n GLY 16 Ca 0.29 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.32 4.17 -0.96 2.61 -1.32 0.12 -4.77 115.64 113.16 1j5h s THR 17 Ca 0.00 -0.72 -0.24 0.00 -1.21 0.00 0.00 61.69 59.52 1j5h s THR 17 Cb 0.00 -4.90 0.03 0.00 -1.51 0.00 0.00 72.50 66.12 1j5h s THR 17 CO 0.00 -1.73 1.49 -0.69 -2.21 0.00 0.00 174.62 171.48 1j5h s VAL 18 N 4.34 3.83 0.43 5.08 1.01 -1.25 -1.76 120.40 132.07 1j5h s VAL 18 Ca 0.37 -0.54 0.07 0.00 0.00 0.00 0.00 61.98 61.88 1j5h s VAL 18 Cb -0.05 -4.90 -0.02 0.00 0.00 0.00 0.00 36.38 31.41 1j5h s VAL 18 CO -0.02 -1.79 0.35 0.68 0.00 0.00 0.00 175.10 174.31 1j5h s VAL 19 N 5.75 2.48 0.36 2.92 -7.23 -0.49 -4.76 120.40 119.44 1j5h s VAL 19 Ca 0.48 -1.42 -0.28 0.00 -1.81 0.00 0.00 61.98 58.95 1j5h s VAL 19 Cb -0.02 -2.91 -0.10 0.00 0.56 0.00 0.00 36.38 33.92 1j5h s VAL 19 CO -0.05 0.00 1.32 -0.54 -0.31 0.00 0.00 175.10 175.52 1j5h s LYS 20 N -4.11 4.20 -0.02 4.82 1.02 -1.26 -0.26 119.74 124.13 1j5h s LYS 20 Ca 0.46 2.23 -0.02 0.00 0.02 0.00 0.00 55.97 58.65 1j5h s LYS 20 Cb -0.02 -2.95 0.00 0.00 -0.52 0.00 0.00 37.83 34.34 1j5h s LYS 20 CO 0.26 -0.32 0.06 0.08 -0.92 0.00 0.00 175.35 174.51 1j5h s VAL 21 N -1.18 0.02 0.05 3.17 1.01 0.31 -1.29 120.40 122.48 1j5h s VAL 21 Ca 0.52 -0.13 -0.02 0.00 0.00 0.00 0.00 61.98 62.35 1j5h s VAL 21 Cb -0.40 -0.14 -0.03 0.00 0.00 0.00 0.00 36.38 35.81 1j5h s VAL 21 CO 0.52 -0.07 -0.01 0.00 0.00 0.00 0.00 175.10 175.54 1j5h s ALA 22 N -0.20 0.39 0.00 5.51 0.00 -0.70 -0.23 121.76 126.53 1j5h s ALA 22 Ca -0.02 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 50.86 1j5h s ALA 22 Cb -0.02 0.27 0.00 0.00 0.00 0.00 0.00 23.12 23.37 1j5h s ALA 22 CO 0.00 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.82 1j5h n GLY 23 N 0.30 1.22 0.00 0.00 0.00 0.35 -0.71 105.19 106.35 1j5h n GLY 23 Ca -0.15 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.77 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 0.87 0.00 0.04 4.61 0.00 0.17 -1.54 120.51 124.66 1j5h n ALA 24 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1j5h n ALA 24 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 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 -0.24 3.60 0.00 0.00 -1.26 0.13 105.19 107.42 1j5h n GLY 25 Ca 0.00 -0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.22 -3.34 0.00 0.99 7.94 -1.08 -4.56 117.00 115.74 1j5h n LEU 26 Ca 0.00 -0.89 0.00 0.00 -1.11 0.00 0.00 56.01 54.01 1j5h n LEU 26 Cb 0.01 -2.46 0.00 0.00 0.53 0.00 0.00 43.42 41.49 1j5h n LEU 26 CO 0.01 0.27 0.00 0.00 -1.11 0.00 0.00 177.39 176.55 1j5h n GLN 27 N -3.71 0.00 0.00 1.96 3.00 -0.21 -4.55 117.38 113.88 1j5h n GLN 27 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.89 1j5h n GLN 27 Cb 0.59 -0.03 0.00 0.00 0.00 0.00 0.00 30.24 30.80 1j5h n GLN 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1j5h n ALA 28 N -2.75 0.00 -1.04 -1.58 0.00 -1.26 -3.76 120.51 110.12 1j5h n ALA 28 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1j5h n ALA 28 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1j5h n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j5h n GLY 29 N 0.00 0.19 3.79 0.00 0.00 -1.24 -4.86 105.19 103.07 1j5h n GLY 29 Ca 0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.24 3.11 0.38 2.61 2.01 -1.26 -4.29 115.64 116.96 1j5h s THR 30 Ca 0.00 0.36 -0.24 0.00 0.31 0.00 0.00 61.69 62.12 1j5h s THR 30 Cb 0.00 -3.05 -0.10 0.00 0.01 0.00 0.00 72.50 69.36 1j5h s THR 30 CO 0.00 -0.47 0.98 0.00 -0.69 0.00 0.00 174.62 174.44 1j5h s ALA 31 N -3.09 3.11 -0.43 7.40 0.00 -1.26 -0.94 121.76 126.54 1j5h s ALA 31 Ca 0.61 0.55 0.05 0.00 0.00 0.00 0.00 51.96 53.17 1j5h s ALA 31 Cb -0.15 -3.20 0.19 0.00 0.00 0.00 0.00 23.12 19.95 1j5h s ALA 31 CO 0.55 0.03 0.48 0.66 0.00 0.00 0.00 175.76 177.47 1j5h n TYR 32 N -0.00 -1.58 -1.56 0.00 4.01 0.18 -4.83 117.16 113.38 1j5h n TYR 32 Ca 0.04 -2.86 -0.55 0.00 -0.16 0.00 0.00 57.90 54.37 1j5h n TYR 32 Cb 0.51 0.49 -0.07 0.00 -0.31 0.00 0.00 39.34 39.96 1j5h n TYR 32 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1j5h n ASP 33 N 2.58 1.00 -4.76 7.72 4.64 0.40 -1.71 116.55 126.42 1j5h n ASP 33 Ca 0.25 1.14 -0.41 0.00 -1.38 0.00 0.00 54.79 54.39 1j5h n ASP 33 Cb 0.51 -1.07 -0.03 0.00 -1.04 0.00 0.00 41.12 39.49 1j5h n ASP 33 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 1j5h s VAL 34 N 0.48 3.05 0.37 5.18 1.01 0.18 0.77 120.40 131.44 1j5h s VAL 34 Ca 0.88 1.01 0.03 0.00 0.00 0.00 0.00 61.98 63.89 1j5h s VAL 34 Cb -1.10 -3.64 0.03 0.00 0.00 0.00 0.00 36.38 31.66 1j5h s VAL 34 CO 0.53 0.22 0.21 0.61 0.00 0.00 0.00 175.10 176.67 1j5h n GLY 35 N 1.26 3.07 0.00 4.51 0.00 -0.48 -4.24 105.19 109.31 1j5h n GLY 35 Ca 0.01 -2.27 0.00 0.00 0.00 0.00 0.00 46.02 43.76 1j5h n GLY 35 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1j5h n GLN 36 N -1.25 0.00 -4.25 1.61 -0.06 -1.26 -4.24 117.38 107.93 1j5h n GLN 36 Ca -0.05 0.00 -0.23 0.00 -2.00 0.00 0.00 57.00 54.72 1j5h n GLN 36 Cb 0.43 0.00 -0.07 0.00 -4.06 0.00 0.00 30.24 26.54 1j5h n GLN 36 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1j5h s ALA 38 N -3.10 0.85 -0.11 0.00 0.00 0.31 0.13 121.76 119.85 1j5h s ALA 38 Ca 0.23 -1.97 -0.30 0.00 0.00 0.00 0.00 51.96 49.93 1j5h s ALA 38 Cb 0.01 -1.69 -0.03 0.00 0.00 0.00 0.00 23.12 21.41 1j5h s ALA 38 CO 0.16 -2.06 1.34 -0.46 0.00 0.00 0.00 175.76 174.75 1j5h s TRP 39 N 0.64 2.75 0.00 0.00 -0.00 -1.01 -0.44 118.94 120.88 1j5h s TRP 39 Ca 0.25 0.87 0.00 0.00 -0.00 0.00 0.00 56.10 57.23 1j5h s TRP 39 Cb -0.09 -3.58 0.00 0.00 -0.00 0.00 0.00 33.47 29.80 1j5h s TRP 39 CO -0.09 -2.11 0.00 0.28 -0.00 0.00 0.00 176.95 175.03 1j5h n VAL 40 N 5.18 0.00 -0.37 5.86 0.31 0.42 -4.59 118.33 125.13 1j5h n VAL 40 Ca 0.14 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.19 1j5h n VAL 40 Cb 0.45 0.00 0.26 0.00 -0.91 0.00 0.00 33.84 33.63 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 0.00 -3.19 -4.56 4.52 10.43 -1.22 -4.71 116.55 117.82 1j5h n ASP 41 Ca 0.00 -0.55 -0.22 0.00 2.57 0.00 0.00 54.79 56.59 1j5h n ASP 41 Cb 0.00 -1.04 -0.06 0.00 1.84 0.00 0.00 41.12 41.86 1j5h n ASP 41 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 1j5h s THR 42 N -2.20 3.28 0.00 -3.53 2.01 -1.26 -0.95 115.64 112.99 1j5h s THR 42 Ca 0.63 -0.22 0.00 0.00 0.31 0.00 0.00 61.69 62.41 1j5h s THR 42 Cb -0.16 -3.63 0.00 0.00 0.01 0.00 0.00 72.50 68.73 1j5h s THR 42 CO 0.57 -0.59 0.00 0.61 -0.69 0.00 0.00 174.62 174.52 1j5h n GLY 43 N 6.81 0.49 2.72 4.40 0.00 -1.26 -4.99 105.19 113.36 1j5h n GLY 43 Ca 0.42 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.36 4.77 -3.94 1.61 0.31 -0.12 -4.86 118.33 114.73 1j5h n VAL 44 Ca 0.00 -4.48 -0.35 0.00 -0.01 0.00 0.00 64.34 59.50 1j5h n VAL 44 Cb 0.00 -2.22 -0.13 0.00 -0.91 0.00 0.00 33.84 30.58 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 -1.11 3.26 -0.53 7.52 0.20 -1.25 -0.44 118.68 126.33 1j5h s LEU 45 Ca 0.45 -0.23 -0.16 0.00 0.69 0.00 0.00 54.13 54.88 1j5h s LEU 45 Cb 0.13 -1.84 0.12 0.00 -0.43 0.00 0.00 46.19 44.17 1j5h s LEU 45 CO -0.03 0.02 0.48 0.00 -0.29 0.00 0.00 176.35 176.53 1j5h s ALA 46 N 1.26 3.63 0.46 5.97 0.00 0.42 -3.87 121.76 129.63 1j5h s ALA 46 Ca 0.04 -2.48 -0.18 0.00 0.00 0.00 0.00 51.96 49.33 1j5h s ALA 46 Cb -0.15 -3.23 -0.09 0.00 0.00 0.00 0.00 23.12 19.66 1j5h s ALA 46 CO 0.01 -1.98 0.94 0.00 0.00 0.00 0.00 175.76 174.74 1j5h s ASN 48 N -2.66 5.12 0.00 0.00 3.84 0.28 -1.39 114.94 120.14 1j5h s ASN 48 Ca 0.59 -2.93 -0.02 0.00 0.21 0.00 0.00 52.86 50.72 1j5h s ASN 48 Cb -0.10 -1.83 -0.08 0.00 -0.55 0.00 0.00 41.25 38.70 1j5h s ASN 48 CO 0.23 -0.34 2.06 -0.81 -2.79 0.00 0.00 177.10 175.45 1j5h n PRO 49 N 3.36 1.06 0.00 0.43 -0.04 -1.26 -2.40 135.00 136.15 1j5h n PRO 49 Ca 0.08 -0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.24 1j5h n PRO 49 Cb 0.37 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 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 2.03 0.67 -0.11 0.55 0.00 -1.26 -4.88 120.51 117.50 1j5h n ALA 50 Ca 0.13 -0.24 -0.11 0.00 0.00 0.00 0.00 53.44 53.22 1j5h n ALA 50 Cb 0.51 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.88 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 -1.44 0.00 0.00 -0.00 -1.75 -3.42 116.42 109.81 1j5h h ASP 51 Ca 0.00 0.19 0.00 0.00 -0.00 0.00 0.00 57.03 57.22 1j5h h ASP 51 Cb 0.56 0.59 0.00 0.00 -0.00 0.00 0.00 39.33 40.48 1j5h h ASP 51 CO 0.00 -0.30 0.00 0.33 -0.00 0.00 0.00 179.24 179.27 1j5h n PHE 52 N -4.74 0.00 -1.04 4.15 7.35 -1.26 -4.88 117.46 117.03 1j5h n PHE 52 Ca -0.03 0.00 -0.35 0.00 -0.76 0.00 0.00 57.45 56.32 1j5h n PHE 52 Cb 0.26 0.00 0.02 0.00 0.35 0.00 0.00 39.48 40.11 1j5h n PHE 52 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1j5h n SER 53 N 0.98 -4.55 -3.80 -2.13 7.64 -1.26 -4.62 113.62 105.88 1j5h n SER 53 Ca 0.00 0.38 -0.13 0.00 1.01 0.00 0.00 58.87 60.14 1j5h n SER 53 Cb 0.00 -0.75 -0.12 0.00 -1.01 0.00 0.00 64.21 62.34 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 -0.93 -0.23 0.12 6.43 1.04 -1.26 0.52 113.70 119.39 1j5h s SER 54 Ca 0.45 0.44 0.07 0.00 0.48 0.00 0.00 55.95 57.39 1j5h s SER 54 Cb -0.31 0.46 -0.04 0.00 0.10 0.00 0.00 66.02 66.23 1j5h s SER 54 CO 0.70 -0.09 -0.17 0.54 0.98 0.00 0.00 173.24 175.20 1j5h s VAL 55 N 0.07 1.53 0.13 5.02 0.11 -0.69 -4.78 120.40 121.79 1j5h s VAL 55 Ca -0.01 -1.69 0.07 0.00 -2.93 0.00 0.00 61.98 57.43 1j5h s VAL 55 Cb -0.02 -1.58 -0.04 0.00 -1.53 0.00 0.00 36.38 33.22 1j5h s VAL 55 CO 0.00 -0.28 -0.06 -0.89 -3.33 0.00 0.00 175.10 170.54 1j5h s THR 56 N -1.79 3.52 0.88 5.04 2.01 -1.26 0.51 115.64 124.54 1j5h s THR 56 Ca 0.09 -1.33 -0.14 0.00 0.31 0.00 0.00 61.69 60.62 1j5h s THR 56 Cb -0.07 -2.70 0.13 0.00 0.01 0.00 0.00 72.50 69.87 1j5h s THR 56 CO 0.04 0.02 1.24 0.00 -0.69 0.00 0.00 174.62 175.23 1j5h s ALA 57 N -1.44 2.48 -0.09 7.40 0.00 -0.12 -2.25 121.76 127.74 1j5h s ALA 57 Ca 0.24 -0.91 -0.01 0.00 0.00 0.00 0.00 51.96 51.28 1j5h s ALA 57 Cb -0.10 -2.86 0.03 0.00 0.00 0.00 0.00 23.12 20.18 1j5h s ALA 57 CO 0.16 -2.01 -0.04 0.16 0.00 0.00 0.00 175.76 174.03 1j5h s ASP 58 N -4.72 1.81 0.00 0.00 1.47 0.30 -3.67 116.67 111.86 1j5h s ASP 58 Ca 0.67 -0.18 0.00 0.00 1.18 0.00 0.00 52.55 54.22 1j5h s ASP 58 Cb -0.08 -0.62 0.00 0.00 -0.34 0.00 0.00 42.92 41.88 1j5h s ASP 58 CO 0.51 -0.15 0.00 0.00 0.68 0.00 0.00 175.17 176.21 1j5h n ALA 59 N 4.97 0.00 -0.29 2.11 0.00 -1.26 0.17 120.51 126.21 1j5h n ALA 59 Ca -0.11 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.45 1j5h n ALA 59 Cb 0.50 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.18 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 0.47 -0.12 0.00 0.00 4.13 -1.26 -4.01 115.26 114.46 1j5h n ASN 60 Ca 0.00 1.42 0.00 0.00 1.68 0.00 0.00 54.58 57.68 1j5h n ASN 60 Cb 0.00 -0.51 0.00 0.00 -1.54 0.00 0.00 39.78 37.73 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 -1.43 0.24 3.75 7.41 0.00 0.45 -4.13 105.19 111.47 1j5h n GLY 61 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.25 7.34 0.66 1.61 0.15 -1.20 -1.04 113.70 120.97 1j5h s SER 62 Ca 0.00 2.11 -0.13 0.00 0.70 0.00 0.00 55.95 58.63 1j5h s SER 62 Cb 0.00 -2.61 -0.01 0.00 -1.71 0.00 0.00 66.02 61.69 1j5h s SER 62 CO 0.00 -0.13 1.06 0.00 1.20 0.00 0.00 173.24 175.37 1j5h s ALA 63 N -0.67 2.68 -0.30 5.45 0.00 -0.59 0.11 121.76 128.45 1j5h s ALA 63 Ca 0.46 0.21 0.02 0.00 0.00 0.00 0.00 51.96 52.66 1j5h s ALA 63 Cb -0.29 -3.20 0.19 0.00 0.00 0.00 0.00 23.12 19.82 1j5h s ALA 63 CO 0.36 -1.09 0.60 -1.54 0.00 0.00 0.00 175.76 174.09 1j5h s SER 64 N -3.38 -1.50 -0.03 0.00 1.04 -0.96 -0.50 113.70 108.37 1j5h s SER 64 Ca 0.60 0.53 -0.30 0.00 0.48 0.00 0.00 55.95 57.27 1j5h s SER 64 Cb -0.15 2.10 0.12 0.00 0.10 0.00 0.00 66.02 68.18 1j5h s SER 64 CO 0.48 -0.28 1.31 0.28 0.98 0.00 0.00 173.24 176.01 1j5h s THR 65 N 2.85 0.00 -0.21 2.02 -1.32 0.68 -4.67 115.64 114.99 1j5h s THR 65 Ca 0.15 -0.17 -0.21 0.00 -1.21 0.00 0.00 61.69 60.25 1j5h s THR 65 Cb -0.12 -2.37 -0.02 0.00 -1.51 0.00 0.00 72.50 68.48 1j5h s THR 65 CO -0.23 0.00 0.66 -0.44 -2.21 0.00 0.00 174.62 172.40 1j5h s SER 66 N -3.30 6.70 -0.01 8.08 0.01 -1.26 0.11 113.70 124.03 1j5h s SER 66 Ca 0.20 0.85 0.04 0.00 1.31 0.00 0.00 55.95 58.35 1j5h s SER 66 Cb 0.03 -2.36 -0.03 0.00 0.21 0.00 0.00 66.02 63.87 1j5h s SER 66 CO -0.03 -0.32 -0.10 -0.76 0.41 0.00 0.00 173.24 172.44 1j5h s LEU 67 N 2.12 2.99 -0.53 2.44 1.02 0.64 -4.84 118.68 122.52 1j5h s LEU 67 Ca 0.30 -0.18 -0.22 0.00 0.02 0.00 0.00 54.13 54.04 1j5h s LEU 67 Cb -0.16 -1.70 0.04 0.00 0.02 0.00 0.00 46.19 44.40 1j5h s LEU 67 CO 0.10 0.30 0.83 0.28 0.02 0.00 0.00 176.35 177.88 1j5h s THR 68 N -0.91 4.56 -1.34 5.49 -1.32 -1.26 -1.39 115.64 119.47 1j5h s THR 68 Ca 0.15 0.06 -0.09 0.00 -1.21 0.00 0.00 61.69 60.59 1j5h s THR 68 Cb -0.11 -4.44 -0.07 0.00 -1.51 0.00 0.00 72.50 66.37 1j5h s THR 68 CO 0.05 -0.98 2.59 0.52 -2.21 0.00 0.00 174.62 174.59 1j5h n VAL 69 N 6.01 3.53 -1.51 5.08 0.31 -0.72 -4.79 118.33 126.24 1j5h n VAL 69 Ca -0.01 -2.18 -0.54 0.00 -0.01 0.00 0.00 64.34 61.60 1j5h n VAL 69 Cb 0.47 -2.44 -0.06 0.00 -0.91 0.00 0.00 33.84 30.90 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 4.07 0.35 0.00 5.55 1.74 -1.26 -3.77 116.66 123.34 1j5h n ARG 70 Ca 0.64 0.13 0.00 0.00 -0.77 0.00 0.00 57.85 57.85 1j5h n ARG 70 Cb 0.21 -1.56 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 1j5h n ARG 70 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1j5h n ARG 71 N 1.59 0.00 -2.83 5.56 0.00 -1.26 -4.75 116.66 114.97 1j5h n ARG 71 Ca 0.19 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.62 1j5h n ARG 71 Cb 0.15 -0.21 -0.04 0.00 0.00 0.00 0.00 32.46 32.37 1j5h n ARG 71 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1j5h s SER 72 N -2.24 6.99 0.00 6.15 0.15 -1.26 -0.51 113.70 122.99 1j5h s SER 72 Ca 0.00 1.23 0.00 0.00 0.70 0.00 0.00 55.95 57.88 1j5h s SER 72 Cb 0.00 -2.48 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 1j5h s SER 72 CO 0.00 -0.46 0.00 2.22 1.20 0.00 0.00 173.24 176.20 1j5h n PHE 73 N 5.46 -0.46 -4.03 3.44 1.16 -0.69 -4.90 117.46 117.45 1j5h n PHE 73 Ca 0.06 0.00 -0.35 0.00 -1.87 0.00 0.00 57.45 55.29 1j5h n PHE 73 Cb 0.48 0.00 -0.13 0.00 -1.61 0.00 0.00 39.48 38.22 1j5h n PHE 73 CO 0.00 0.00 0.00 -1.83 -1.87 0.00 0.00 176.76 173.06 1j5h s GLU 74 N -1.68 3.59 0.10 3.97 1.03 -1.14 0.18 118.70 124.76 1j5h s GLU 74 Ca 0.00 -0.53 0.08 0.00 0.03 0.00 0.00 54.97 54.55 1j5h s GLU 74 Cb 0.00 -3.09 -0.03 0.00 -0.80 0.00 0.00 34.13 30.21 1j5h s GLU 74 CO 0.00 -0.02 -0.20 0.20 -1.33 0.00 0.00 175.26 173.90 1j5h s GLY 75 N 1.09 1.21 -0.15 -3.83 0.00 0.50 -4.63 107.32 101.50 1j5h s GLY 75 Ca 0.02 -1.22 -0.04 0.00 0.00 0.00 0.00 44.72 43.48 1j5h s GLY 75 CO 0.01 -1.23 -0.01 -0.11 0.00 0.00 0.00 173.10 171.77 1j5h s PHE 76 N -1.17 3.11 0.28 1.90 -0.12 -0.49 -0.86 117.98 120.64 1j5h s PHE 76 Ca 0.06 -0.11 0.02 0.00 -0.05 0.00 0.00 56.93 56.85 1j5h s PHE 76 Cb -0.10 -1.96 0.62 0.00 -0.63 0.00 0.00 43.02 40.96 1j5h s PHE 76 CO 0.04 0.11 1.78 -0.07 -0.05 0.00 0.00 175.22 177.03 1j5h h LEU 77 N 6.41 0.69 0.00 -1.99 3.38 -1.48 -1.75 115.31 120.56 1j5h h LEU 77 Ca -0.36 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1j5h h LEU 77 Cb 1.18 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1j5h h LEU 77 CO 0.63 0.28 0.00 0.33 0.09 0.00 0.00 178.44 179.77 1j5h n PHE 78 N -4.80 0.00 0.00 1.13 -0.00 -1.26 -3.88 117.46 108.66 1j5h n PHE 78 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.65 1j5h n PHE 78 Cb 0.48 -0.07 0.00 0.00 -0.00 0.00 0.00 39.48 39.90 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 0.27 0.00 -0.00 -2.13 2.03 -1.26 -5.02 116.55 110.44 1j5h n ASP 79 Ca 0.00 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.30 1j5h n ASP 79 Cb 0.00 0.02 -0.00 0.00 -0.72 0.00 0.00 41.12 40.42 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 1.09 -0.19 0.00 0.27 0.00 -1.26 -5.16 105.19 99.94 1j5h n GLY 80 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1j5h n GLY 80 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1j5h n THR 81 N -2.84 0.00 -0.93 2.61 5.66 -1.26 -5.00 114.28 112.52 1j5h n THR 81 Ca -0.02 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.65 1j5h n THR 81 Cb 0.06 0.00 0.04 0.00 -1.55 0.00 0.00 70.33 68.87 1j5h n THR 81 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 1j5h n ARG 82 N -0.02 0.00 0.00 1.09 1.85 -1.26 -1.88 116.66 116.44 1j5h n ARG 82 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1j5h n ARG 82 Cb 0.00 -0.92 0.00 0.00 -1.05 0.00 0.00 32.46 30.49 1j5h n ARG 82 CO 0.00 0.00 0.00 1.87 -0.01 0.00 0.00 177.63 179.49 1j5h n TRP 83 N -2.27 -0.21 -2.33 2.89 -0.00 -0.03 -4.56 117.44 110.92 1j5h n TRP 83 Ca -0.02 0.00 -0.41 0.00 -0.00 0.00 0.00 57.50 57.07 1j5h n TRP 83 Cb 0.51 0.04 0.00 0.00 -0.00 0.00 0.00 31.31 31.87 1j5h n TRP 83 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1j5h n GLY 84 N -1.10 5.22 2.83 5.87 0.00 -0.72 -4.75 105.19 112.55 1j5h n GLY 84 Ca 0.00 -2.23 -0.38 0.00 0.00 0.00 0.00 46.02 43.41 1j5h n GLY 84 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1j5h n THR 85 N 1.87 3.64 -2.56 2.61 5.66 -1.18 0.19 114.28 124.50 1j5h n THR 85 Ca 0.48 -4.57 0.00 0.00 -3.05 0.00 0.00 64.05 56.91 1j5h n THR 85 Cb 0.29 -1.28 0.00 0.00 -1.55 0.00 0.00 70.33 67.80 1j5h n THR 85 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 1j5h n VAL 86 N -0.48 0.00 -1.53 1.08 3.14 0.13 -4.84 118.33 115.83 1j5h n VAL 86 Ca 0.51 0.00 -0.38 0.00 -2.96 0.00 0.00 64.34 61.50 1j5h n VAL 86 Cb 0.30 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 33.02 1j5h n VAL 86 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1j5h n ASP 87 N 0.00 1.84 0.16 6.55 10.43 -1.26 -1.70 116.55 132.57 1j5h n ASP 87 Ca 0.00 -0.26 0.16 0.00 2.57 0.00 0.00 54.79 57.26 1j5h n ASP 87 Cb 0.00 -1.40 0.75 0.00 1.84 0.00 0.00 41.12 42.31 1j5h n ASP 87 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1j5h h THR 89 N 0.00 0.08 0.00 0.00 1.03 -1.81 2.08 112.91 114.29 1j5h h THR 89 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.51 1j5h h THR 89 Cb 0.50 0.57 0.00 0.00 -1.07 0.00 0.00 68.15 68.15 1j5h h THR 89 CO -0.00 0.00 -0.27 0.74 -0.01 0.00 0.00 175.52 175.98 1j5h h THR 90 N 0.00 0.00 0.00 0.00 2.02 -1.07 -3.24 112.91 110.62 1j5h h THR 90 Ca 0.06 -0.74 -0.01 0.00 0.77 0.00 0.00 66.41 66.49 1j5h h THR 90 Cb 0.98 1.58 -0.03 0.00 -1.74 0.00 0.00 68.15 68.94 1j5h h THR 90 CO -0.00 0.00 -0.48 0.00 0.37 0.00 0.00 175.52 175.41 1j5h n ALA 91 N -1.96 3.38 -2.96 6.16 0.00 0.69 -5.04 120.51 120.78 1j5h n ALA 91 Ca 0.04 -3.13 -0.01 0.00 0.00 0.00 0.00 53.44 50.33 1j5h n ALA 91 Cb 0.48 -0.38 -0.01 0.00 0.00 0.00 0.00 19.45 19.54 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 -1.03 -1.61 -2.42 0.00 0.00 -0.17 -3.93 120.51 111.34 1j5h n ALA 92 Ca 0.17 0.56 -0.23 0.00 0.00 0.00 0.00 53.44 53.94 1j5h n ALA 92 Cb 0.72 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 -4.49 0.79 -0.21 0.00 -2.07 0.36 -1.93 119.66 112.10 1j5h s GLN 94 Ca 0.46 -0.07 -0.00 0.00 -1.82 0.00 0.00 55.36 53.92 1j5h s GLN 94 Cb -0.10 0.36 0.06 0.00 -1.09 0.00 0.00 33.01 32.23 1j5h s GLN 94 CO 0.38 -0.23 -0.04 0.08 -1.32 0.00 0.00 175.29 174.16 1j5h s VAL 95 N -1.33 1.25 0.35 3.63 1.01 -0.82 -1.23 120.40 123.26 1j5h s VAL 95 Ca -0.13 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 60.93 1j5h s VAL 95 Cb -0.04 -1.53 -0.05 0.00 0.00 0.00 0.00 36.38 34.76 1j5h s VAL 95 CO 0.06 -0.06 0.07 -0.83 0.00 0.00 0.00 175.10 174.33 1j5h s GLY 96 N 1.54 2.24 0.18 4.51 0.00 -1.21 -4.52 107.32 110.06 1j5h s GLY 96 Ca -0.03 -1.82 -0.30 0.00 0.00 0.00 0.00 44.72 42.57 1j5h s GLY 96 CO -0.07 -1.84 0.96 0.48 0.00 0.00 0.00 173.10 172.62 1j5h s LEU 97 N -3.54 4.57 -0.07 0.66 -0.00 -1.26 -1.38 118.68 117.67 1j5h s LEU 97 Ca 0.32 1.88 0.02 0.00 -0.00 0.00 0.00 54.13 56.36 1j5h s LEU 97 Cb 0.07 -3.60 0.01 0.00 -0.00 0.00 0.00 46.19 42.68 1j5h s LEU 97 CO 0.15 0.04 -0.11 -0.94 -0.00 0.00 0.00 176.35 175.48 1j5h s SER 98 N -0.59 1.79 0.57 1.48 1.04 0.23 -4.84 113.70 113.38 1j5h s SER 98 Ca 0.44 -0.29 0.04 0.00 0.48 0.00 0.00 55.95 56.61 1j5h s SER 98 Cb -0.25 -0.81 0.06 0.00 0.10 0.00 0.00 66.02 65.12 1j5h s SER 98 CO 0.31 0.01 0.79 1.51 0.98 0.00 0.00 173.24 176.84 1j5h s ASP 99 N 0.80 5.09 -0.20 7.02 1.47 -1.26 0.15 116.67 129.73 1j5h s ASP 99 Ca -0.12 -0.33 0.01 0.00 1.18 0.00 0.00 52.55 53.29 1j5h s ASP 99 Cb -0.15 -0.41 0.22 0.00 -0.34 0.00 0.00 42.92 42.24 1j5h s ASP 99 CO 0.02 -1.28 1.61 0.00 0.68 0.00 0.00 175.17 176.20 1j5h n ALA 100 N -2.35 4.15 0.00 2.11 0.00 -1.26 -2.74 120.51 120.42 1j5h n ALA 100 Ca 0.11 -1.19 0.00 0.00 0.00 0.00 0.00 53.44 52.36 1j5h n ALA 100 Cb 0.60 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.83 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 0.14 0.23 -0.05 0.00 0.00 -1.26 -4.99 120.51 114.58 1j5h n ALA 101 Ca 0.23 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.66 1j5h n ALA 101 Cb 0.80 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.25 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 -2.01 0.00 0.00 0.00 176.54 174.53 1j5h n ASN 103 N -4.56 0.00 0.00 0.19 5.15 -1.11 -4.84 115.26 110.09 1j5h n ASN 103 Ca -0.02 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.96 1j5h n ASN 103 Cb 0.07 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.32 1j5h n ASN 103 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1j5h n GLY 104 N 0.00 0.17 3.73 8.20 0.00 -1.26 -4.78 105.19 111.25 1j5h n GLY 104 Ca 0.00 -0.96 -0.41 0.00 0.00 0.00 0.00 46.02 44.65 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 0.00 4.53 0.00 1.61 0.04 -1.26 -4.93 135.00 134.99 1j5h s PRO 105 Ca 0.00 1.74 0.00 0.00 0.04 0.00 0.00 61.00 62.78 1j5h s PRO 105 Cb 0.00 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.24 1j5h s PRO 105 CO 0.00 -0.05 0.00 -1.91 0.04 0.00 0.00 177.00 175.08 1j5h n GLU 106 N 2.90 0.00 0.00 4.56 4.07 -1.26 -5.11 120.64 125.80 1j5h n GLU 106 Ca 0.05 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.15 1j5h n GLU 106 Cb 0.46 -0.04 0.00 0.00 -0.06 0.00 0.00 31.44 31.80 1j5h n GLU 106 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1j5h n GLY 107 N 3.38 0.66 1.68 8.31 0.00 -1.26 -4.99 105.19 112.97 1j5h n GLY 107 Ca 0.00 -1.58 -0.00 0.00 0.00 0.00 0.00 46.02 44.44 1j5h n GLY 107 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1j5h n VAL 108 N 7.13 -2.13 -1.81 1.61 0.31 -1.26 -2.31 118.33 119.87 1j5h n VAL 108 Ca 0.00 -0.02 -0.42 0.00 -0.01 0.00 0.00 64.34 63.89 1j5h n VAL 108 Cb 0.00 -3.93 -0.03 0.00 -0.91 0.00 0.00 33.84 28.97 1j5h n VAL 108 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1j5h s ALA 109 N -2.87 2.61 0.07 3.52 0.00 -1.26 -1.95 121.76 121.87 1j5h s ALA 109 Ca 0.00 0.33 0.04 0.00 0.00 0.00 0.00 51.96 52.33 1j5h s ALA 109 Cb -0.00 -4.10 -0.04 0.00 0.00 0.00 0.00 23.12 18.98 1j5h s ALA 109 CO 0.09 -3.02 0.01 0.42 0.00 0.00 0.00 175.76 173.26 1j5h s ILE 110 N 8.22 4.13 -0.53 0.00 1.01 -0.81 -4.85 121.20 128.37 1j5h s ILE 110 Ca 0.88 -0.87 -0.17 0.00 0.00 0.00 0.00 60.65 60.49 1j5h s ILE 110 Cb -0.25 -2.94 0.10 0.00 0.01 0.00 0.00 42.46 39.38 1j5h s ILE 110 CO 0.32 0.18 0.56 -0.55 0.00 0.00 0.00 174.94 175.44 1j5h s SER 111 N -2.16 6.18 -0.11 3.58 0.15 -0.45 -4.25 113.70 116.64 1j5h s SER 111 Ca 0.25 -1.43 -0.18 0.00 0.70 0.00 0.00 55.95 55.29 1j5h s SER 111 Cb -0.12 -2.24 -0.04 0.00 -1.71 0.00 0.00 66.02 61.91 1j5h s SER 111 CO 0.17 -0.89 0.48 -0.36 1.20 0.00 0.00 173.24 173.84 1j5h s PHE 112 N 2.10 3.53 0.00 3.44 0.40 -1.26 -2.10 117.98 124.10 1j5h s PHE 112 Ca 0.08 0.91 0.00 0.00 -0.60 0.00 0.00 56.93 57.32 1j5h s PHE 112 Cb -0.25 -2.54 0.00 0.00 0.51 0.00 0.00 43.02 40.74 1j5h s PHE 112 CO 0.06 0.21 0.00 -1.71 0.70 0.00 0.00 175.22 174.48