#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 -3.60 -1.00 0.00 0.00 -1.26 -5.02 120.51 109.64 1j5h n ALA 2 Ca 0.00 1.50 0.00 0.00 0.00 0.00 0.00 53.44 54.94 1j5h n ALA 2 Cb 0.00 -2.94 0.00 0.00 0.00 0.00 0.00 19.45 16.51 1j5h n ALA 2 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1j5h n PRO 3 N 1.23 0.00 -0.92 0.00 -0.04 -1.26 -5.07 135.00 128.95 1j5h n PRO 3 Ca -0.22 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.33 1j5h n PRO 3 Cb 0.34 -0.22 -0.05 0.00 -0.04 0.00 0.00 33.50 33.53 1j5h n PRO 3 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1j5h n THR 4 N -0.10 -0.87 -2.71 0.52 -2.24 0.15 -4.59 114.28 104.44 1j5h n THR 4 Ca 0.00 0.67 -0.39 0.00 -2.27 0.00 0.00 64.05 62.06 1j5h n THR 4 Cb 0.00 -1.04 -0.06 0.00 -2.10 0.00 0.00 70.33 67.13 1j5h n THR 4 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j5h s ALA 5 N -4.06 3.29 0.04 6.98 0.00 -1.26 -0.34 121.76 126.41 1j5h s ALA 5 Ca 0.00 0.63 -0.07 0.00 0.00 0.00 0.00 51.96 52.52 1j5h s ALA 5 Cb 0.00 -3.22 -0.01 0.00 0.00 0.00 0.00 23.12 19.89 1j5h s ALA 5 CO 0.00 0.13 0.13 0.95 0.00 0.00 0.00 175.76 176.97 1j5h s THR 6 N -1.34 0.12 -0.20 0.00 -4.23 0.28 -4.56 115.64 105.72 1j5h s THR 6 Ca 0.45 -1.01 -0.04 0.00 -1.18 0.00 0.00 61.69 59.91 1j5h s THR 6 Cb -0.24 -0.89 -0.02 0.00 1.34 0.00 0.00 72.50 72.69 1j5h s THR 6 CO 0.30 -0.56 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.11 1j5h s VAL 7 N -2.57 3.69 0.03 2.29 1.01 -1.26 -1.48 120.40 122.10 1j5h s VAL 7 Ca -0.05 -0.40 -0.05 0.00 0.00 0.00 0.00 61.98 61.48 1j5h s VAL 7 Cb -0.01 -2.66 -0.01 0.00 0.00 0.00 0.00 36.38 33.70 1j5h s VAL 7 CO -0.04 0.44 0.85 0.41 0.00 0.00 0.00 175.10 176.75 1j5h n THR 8 N 4.34 -0.11 -0.20 3.92 -1.04 -0.65 -4.50 114.28 116.05 1j5h n THR 8 Ca -0.18 1.29 0.00 0.00 -2.04 0.00 0.00 64.05 63.13 1j5h n THR 8 Cb 0.52 -1.68 0.00 0.00 -1.82 0.00 0.00 70.33 67.34 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 -3.21 0.61 -1.29 -2.82 -0.04 -1.26 -5.05 135.00 121.93 1j5h n PRO 9 Ca 0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.41 1j5h n PRO 9 Cb 0.04 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.48 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 -0.79 -0.97 -3.38 3.54 3.41 -1.26 -5.03 113.62 109.15 1j5h n SER 10 Ca 0.00 -1.82 -0.26 0.00 -0.26 0.00 0.00 58.87 56.52 1j5h n SER 10 Cb 0.00 0.34 -0.09 0.00 -0.26 0.00 0.00 64.21 64.20 1j5h n SER 10 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1j5h n SER 11 N -0.31 0.06 0.00 4.04 3.41 -1.25 -1.61 113.62 117.96 1j5h n SER 11 Ca -0.23 -2.55 0.05 0.00 -0.26 0.00 0.00 58.87 55.89 1j5h n SER 11 Cb 0.69 -0.59 0.32 0.00 -0.26 0.00 0.00 64.21 64.36 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 2.34 -0.39 0.00 5.00 0.00 0.35 -4.15 105.19 108.34 1j5h n GLY 12 Ca 0.27 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.05 0.00 -4.63 0.99 4.77 -0.39 -3.47 117.00 113.21 1j5h n LEU 13 Ca 0.08 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.63 1j5h n LEU 13 Cb 0.05 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.11 1j5h n LEU 13 CO 0.07 0.00 1.47 -0.55 -1.33 0.00 0.00 177.39 177.04 1j5h s SER 14 N -4.45 6.30 -0.69 -1.43 0.15 -1.26 -4.66 113.70 107.65 1j5h s SER 14 Ca 0.00 1.90 -0.25 0.00 0.70 0.00 0.00 55.95 58.29 1j5h s SER 14 Cb 0.00 -2.53 -0.13 0.00 -1.71 0.00 0.00 66.02 61.65 1j5h s SER 14 CO 0.00 -1.28 2.44 -0.67 1.20 0.00 0.00 173.24 174.93 1j5h n ASP 15 N 8.58 1.55 0.00 5.45 4.64 -1.23 -0.06 116.55 135.48 1j5h n ASP 15 Ca 0.20 -0.67 0.00 0.00 -1.38 0.00 0.00 54.79 52.94 1j5h n ASP 15 Cb 0.44 -1.42 0.00 0.00 -1.04 0.00 0.00 41.12 39.11 1j5h n ASP 15 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1j5h n GLY 16 N 6.26 1.23 3.58 0.27 0.00 -1.17 -4.66 105.19 110.70 1j5h n GLY 16 Ca 0.47 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.35 1j5h n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j5h s THR 17 N -2.00 3.01 -0.82 2.61 2.01 0.91 -4.37 115.64 116.98 1j5h s THR 17 Ca 0.00 -0.02 -0.25 0.00 0.31 0.00 0.00 61.69 61.73 1j5h s THR 17 Cb 0.00 -3.97 -0.05 0.00 0.01 0.00 0.00 72.50 68.49 1j5h s THR 17 CO 0.00 -0.02 1.98 -0.69 -0.69 0.00 0.00 174.62 175.20 1j5h s VAL 18 N 17.34 3.38 0.45 3.82 1.01 -1.25 -1.84 120.40 143.31 1j5h s VAL 18 Ca 0.82 -0.21 0.06 0.00 0.00 0.00 0.00 61.98 62.65 1j5h s VAL 18 Cb -0.05 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 1j5h s VAL 18 CO 0.18 -0.84 0.15 0.68 0.00 0.00 0.00 175.10 175.28 1j5h s VAL 19 N 10.33 1.94 0.27 2.92 -7.23 -0.54 -4.85 120.40 123.24 1j5h s VAL 19 Ca 0.72 -1.77 -0.29 0.00 -1.81 0.00 0.00 61.98 58.82 1j5h s VAL 19 Cb -0.09 -2.71 -0.09 0.00 0.56 0.00 0.00 36.38 34.05 1j5h s VAL 19 CO 0.05 0.00 1.13 -0.75 -0.31 0.00 0.00 175.10 175.22 1j5h s LYS 20 N -3.93 4.59 -0.01 4.82 2.20 -1.26 -0.19 119.74 125.97 1j5h s LYS 20 Ca 0.32 1.85 0.02 0.00 -0.36 0.00 0.00 55.97 57.80 1j5h s LYS 20 Cb 0.04 -3.19 -0.00 0.00 -1.51 0.00 0.00 37.83 33.16 1j5h s LYS 20 CO 0.18 0.13 -0.06 0.08 -0.36 0.00 0.00 175.35 175.31 1j5h s VAL 21 N -0.97 0.48 0.04 4.02 1.01 0.28 -1.63 120.40 123.63 1j5h s VAL 21 Ca 0.46 -0.25 -0.00 0.00 0.00 0.00 0.00 61.98 62.19 1j5h s VAL 21 Cb -0.33 -0.41 -0.03 0.00 0.00 0.00 0.00 36.38 35.62 1j5h s VAL 21 CO 0.41 0.14 -0.04 0.00 0.00 0.00 0.00 175.10 175.61 1j5h s ALA 22 N -0.12 0.43 0.00 5.51 0.00 -0.55 -0.26 121.76 126.77 1j5h s ALA 22 Ca 0.02 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.02 1j5h s ALA 22 Cb -0.03 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.29 1j5h s ALA 22 CO -0.00 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 175.92 1j5h n GLY 23 N 0.76 -2.47 0.00 0.00 0.00 0.12 -0.56 105.19 103.04 1j5h n GLY 23 Ca -0.18 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.70 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 0.26 0.00 0.04 4.61 0.00 0.54 -1.45 120.51 124.51 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 -0.22 3.60 0.00 0.00 -1.26 0.35 105.19 107.65 1j5h n GLY 25 Ca 0.00 -0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.20 -3.22 0.00 0.99 7.94 -1.09 -4.90 117.00 115.52 1j5h n LEU 26 Ca 0.00 -0.75 0.00 0.00 -1.11 0.00 0.00 56.01 54.15 1j5h n LEU 26 Cb 0.01 -2.17 0.00 0.00 0.53 0.00 0.00 43.42 41.78 1j5h n LEU 26 CO 0.01 0.02 0.00 0.00 -1.11 0.00 0.00 177.39 176.30 1j5h n GLN 27 N -2.73 0.00 0.00 1.96 1.13 0.08 -4.63 117.38 113.19 1j5h n GLN 27 Ca -0.20 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.86 1j5h n GLN 27 Cb 0.62 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.97 1j5h n GLN 27 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1j5h n ALA 28 N -3.00 0.00 -0.11 -1.58 0.00 -1.25 -3.86 120.51 110.72 1j5h n ALA 28 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1j5h n ALA 28 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.78 3.57 0.00 0.00 -1.26 -4.84 105.19 103.43 1j5h n GLY 29 Ca 0.00 -0.72 -0.09 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.07 0.02 0.51 2.61 2.01 -1.26 -4.97 115.64 112.48 1j5h s THR 30 Ca 0.00 -1.19 -0.18 0.00 0.31 0.00 0.00 61.69 60.63 1j5h s THR 30 Cb 0.00 -1.97 -0.08 0.00 0.01 0.00 0.00 72.50 70.46 1j5h s THR 30 CO 0.00 -0.07 1.00 0.00 -0.69 0.00 0.00 174.62 174.86 1j5h s ALA 31 N -3.96 2.98 -0.45 7.40 0.00 -1.26 -1.48 121.76 124.99 1j5h s ALA 31 Ca 0.17 0.32 0.06 0.00 0.00 0.00 0.00 51.96 52.51 1j5h s ALA 31 Cb -0.01 -3.16 0.19 0.00 0.00 0.00 0.00 23.12 20.14 1j5h s ALA 31 CO 0.04 -0.26 0.53 0.66 0.00 0.00 0.00 175.76 176.73 1j5h n TYR 32 N -1.36 -1.98 -1.66 0.00 4.01 0.39 -4.71 117.16 111.85 1j5h n TYR 32 Ca 0.07 -2.60 -0.47 0.00 -0.16 0.00 0.00 57.90 54.75 1j5h n TYR 32 Cb 0.54 0.68 -0.04 0.00 -0.31 0.00 0.00 39.34 40.20 1j5h n TYR 32 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1j5h n ASP 33 N 2.60 2.84 -4.75 7.72 9.92 0.27 -1.64 116.55 133.50 1j5h n ASP 33 Ca 0.23 1.09 -0.34 0.00 -0.53 0.00 0.00 54.79 55.24 1j5h n ASP 33 Cb 0.52 -1.39 0.05 0.00 -0.64 0.00 0.00 41.12 39.66 1j5h n ASP 33 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1j5h s VAL 34 N 0.76 2.84 0.19 2.53 1.01 0.15 0.11 120.40 127.99 1j5h s VAL 34 Ca 0.79 0.44 -0.04 0.00 0.00 0.00 0.00 61.98 63.18 1j5h s VAL 34 Cb -0.72 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 1j5h s VAL 34 CO 0.40 -0.19 0.18 -0.83 0.00 0.00 0.00 175.10 174.66 1j5h s GLY 35 N -2.07 1.10 -0.30 4.51 0.00 -0.37 -4.38 107.32 105.80 1j5h s GLY 35 Ca 0.72 -1.44 -0.13 0.00 0.00 0.00 0.00 44.72 43.88 1j5h s GLY 35 CO 0.38 -1.22 0.82 1.20 0.00 0.00 0.00 173.10 174.28 1j5h s GLN 36 N -4.09 0.44 0.40 2.90 -0.21 -1.26 -2.45 119.66 115.40 1j5h s GLN 36 Ca 0.31 1.10 0.04 0.00 0.02 0.00 0.00 55.36 56.83 1j5h s GLN 36 Cb 0.06 0.64 -0.02 0.00 1.00 0.00 0.00 33.01 34.68 1j5h s GLN 36 CO 0.08 -0.15 0.16 0.00 -2.12 0.00 0.00 175.29 173.26 1j5h s ALA 38 N -3.24 -0.33 -0.02 0.00 0.00 0.15 0.63 121.76 118.96 1j5h s ALA 38 Ca 0.26 0.47 -0.21 0.00 0.00 0.00 0.00 51.96 52.48 1j5h s ALA 38 Cb 0.02 -1.18 -0.05 0.00 0.00 0.00 0.00 23.12 21.91 1j5h s ALA 38 CO 0.17 -0.98 0.60 -0.46 0.00 0.00 0.00 175.76 175.09 1j5h s TRP 39 N 2.35 3.66 0.00 0.00 -0.00 -1.17 -0.08 118.94 123.70 1j5h s TRP 39 Ca 0.05 1.18 0.00 0.00 -0.00 0.00 0.00 56.10 57.33 1j5h s TRP 39 Cb -0.14 -2.62 0.00 0.00 -0.00 0.00 0.00 33.47 30.71 1j5h s TRP 39 CO -0.10 0.32 0.00 0.28 -0.00 0.00 0.00 176.95 177.44 1j5h n VAL 40 N 2.88 0.00 -0.93 5.86 0.31 0.82 -4.39 118.33 122.89 1j5h n VAL 40 Ca -0.06 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.03 1j5h n VAL 40 Cb 0.51 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.39 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 5.91 0.00 4.52 9.92 -1.25 -4.79 116.55 130.86 1j5h n ASP 41 Ca 0.00 -2.38 0.00 0.00 -0.53 0.00 0.00 54.79 51.88 1j5h n ASP 41 Cb 0.00 -1.24 0.00 0.00 -0.64 0.00 0.00 41.12 39.24 1j5h n ASP 41 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 1j5h n THR 42 N 3.54 0.00 0.38 -3.53 -1.04 -1.26 -3.45 114.28 108.92 1j5h n THR 42 Ca 0.52 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.53 1j5h n THR 42 Cb 0.33 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.84 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 0.00 1.99 2.39 3.41 0.00 -1.26 -3.86 105.19 107.86 1j5h n GLY 43 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 0.93 -0.27 -3.79 1.61 0.31 -1.22 -4.17 118.33 111.73 1j5h n VAL 44 Ca 0.00 -3.30 -0.37 0.00 -0.01 0.00 0.00 64.34 60.67 1j5h n VAL 44 Cb 0.45 -0.14 -0.12 0.00 -0.91 0.00 0.00 33.84 33.12 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 -1.72 4.47 -0.20 7.52 0.20 -1.25 -0.13 118.68 127.57 1j5h s LEU 45 Ca 0.34 -1.42 -0.21 0.00 0.69 0.00 0.00 54.13 53.52 1j5h s LEU 45 Cb 0.26 -1.82 -0.02 0.00 -0.43 0.00 0.00 46.19 44.18 1j5h s LEU 45 CO -0.11 -0.38 0.66 0.00 -0.29 0.00 0.00 176.35 176.23 1j5h s ALA 46 N 1.30 3.55 0.35 5.97 0.00 0.89 -4.31 121.76 129.50 1j5h s ALA 46 Ca -0.00 -0.26 -0.05 0.00 0.00 0.00 0.00 51.96 51.65 1j5h s ALA 46 Cb -0.21 -3.01 -0.05 0.00 0.00 0.00 0.00 23.12 19.85 1j5h s ALA 46 CO -0.00 -0.60 0.63 0.00 0.00 0.00 0.00 175.76 175.78 1j5h s ASN 48 N -3.42 5.04 0.00 0.00 2.47 0.29 -1.63 114.94 117.69 1j5h s ASN 48 Ca 0.45 -3.24 0.00 0.00 0.42 0.00 0.00 52.86 50.50 1j5h s ASN 48 Cb -0.10 -1.77 0.00 0.00 -1.45 0.00 0.00 41.25 37.93 1j5h s ASN 48 CO 0.33 -0.25 1.31 -0.81 -3.72 0.00 0.00 177.10 173.97 1j5h n PRO 49 N 2.90 0.75 0.00 0.43 -0.04 -1.26 -2.37 135.00 135.40 1j5h n PRO 49 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1j5h n PRO 49 Cb 0.36 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 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 1.38 1.82 -0.36 0.55 0.00 -1.26 -4.77 120.51 117.86 1j5h n ALA 50 Ca 0.00 -0.29 0.03 0.00 0.00 0.00 0.00 53.44 53.17 1j5h n ALA 50 Cb 0.37 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.92 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 -1.14 0.00 0.00 2.03 -1.75 -3.42 116.42 112.14 1j5h h ASP 51 Ca 0.00 0.30 0.00 0.00 -0.73 0.00 0.00 57.03 56.60 1j5h h ASP 51 Cb 0.09 0.67 0.00 0.00 -0.83 0.00 0.00 39.33 39.26 1j5h h ASP 51 CO 0.00 -0.31 0.00 0.33 -1.03 0.00 0.00 179.24 178.23 1j5h n PHE 52 N -5.55 0.00 -0.93 4.15 -0.00 -1.26 -4.89 117.46 108.98 1j5h n PHE 52 Ca 0.13 0.00 -0.30 0.00 -0.00 0.00 0.00 57.45 57.28 1j5h n PHE 52 Cb 0.45 0.00 0.02 0.00 -0.00 0.00 0.00 39.48 39.95 1j5h n PHE 52 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1j5h n SER 53 N 1.35 -3.60 -3.68 -2.13 7.64 -1.26 -4.61 113.62 107.33 1j5h n SER 53 Ca 0.00 0.39 -0.14 0.00 1.01 0.00 0.00 58.87 60.13 1j5h n SER 53 Cb 0.00 -0.65 -0.08 0.00 -1.01 0.00 0.00 64.21 62.46 1j5h n SER 53 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1j5h s SER 54 N -0.80 -0.47 0.17 6.43 0.15 -1.26 0.35 113.70 118.27 1j5h s SER 54 Ca 0.41 0.73 -0.04 0.00 0.70 0.00 0.00 55.95 57.75 1j5h s SER 54 Cb -0.31 0.76 -0.03 0.00 -1.71 0.00 0.00 66.02 64.73 1j5h s SER 54 CO 0.58 -0.33 0.17 0.54 1.20 0.00 0.00 173.24 175.40 1j5h s VAL 55 N -0.42 0.05 0.17 4.45 0.11 -0.65 -4.82 120.40 119.30 1j5h s VAL 55 Ca -0.06 -1.77 0.11 0.00 -2.93 0.00 0.00 61.98 57.33 1j5h s VAL 55 Cb -0.03 -2.15 -0.04 0.00 -1.53 0.00 0.00 36.38 32.63 1j5h s VAL 55 CO 0.03 -0.25 -0.23 -0.89 -3.33 0.00 0.00 175.10 170.44 1j5h s THR 56 N -4.06 2.18 1.32 5.04 2.01 -1.26 0.15 115.64 121.02 1j5h s THR 56 Ca 0.27 -1.94 -0.18 0.00 0.31 0.00 0.00 61.69 60.15 1j5h s THR 56 Cb 0.06 -2.01 0.34 0.00 0.01 0.00 0.00 72.50 70.89 1j5h s THR 56 CO 0.05 -0.13 0.94 0.00 -0.69 0.00 0.00 174.62 174.80 1j5h n ALA 57 N 0.41 -3.99 -3.66 7.40 0.00 -0.55 -3.33 120.51 116.79 1j5h n ALA 57 Ca -0.14 -1.54 -0.20 0.00 0.00 0.00 0.00 53.44 51.56 1j5h n ALA 57 Cb 0.56 -1.82 -0.16 0.00 0.00 0.00 0.00 19.45 18.02 1j5h n ALA 57 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1j5h s ASP 58 N -2.65 0.92 0.00 0.00 1.47 0.48 -4.75 116.67 112.15 1j5h s ASP 58 Ca 0.68 -0.10 0.00 0.00 1.18 0.00 0.00 52.55 54.31 1j5h s ASP 58 Cb -0.20 -0.40 0.00 0.00 -0.34 0.00 0.00 42.92 41.97 1j5h s ASP 58 CO 0.62 -0.08 0.00 0.00 0.68 0.00 0.00 175.17 176.39 1j5h n ALA 59 N 4.20 0.00 0.00 2.11 0.00 -1.26 -0.92 120.51 124.64 1j5h n ALA 59 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1j5h n ALA 59 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1j5h n ALA 59 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1j5h n ASN 60 N 0.00 0.00 0.00 0.00 5.15 -1.26 -4.90 115.26 114.25 1j5h n ASN 60 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1j5h n ASN 60 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1j5h n ASN 60 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1j5h n GLY 61 N 0.00 1.25 3.72 8.20 0.00 -0.09 -3.78 105.19 114.48 1j5h n GLY 61 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.41 7.34 0.57 1.61 0.15 -1.23 -0.74 113.70 119.99 1j5h s SER 62 Ca 0.00 1.78 -0.14 0.00 0.70 0.00 0.00 55.95 58.29 1j5h s SER 62 Cb 0.00 -2.58 -0.05 0.00 -1.71 0.00 0.00 66.02 61.68 1j5h s SER 62 CO 0.00 -0.25 1.01 0.00 1.20 0.00 0.00 173.24 175.21 1j5h s ALA 63 N 0.70 3.01 -0.22 5.45 0.00 -0.53 0.18 121.76 130.35 1j5h s ALA 63 Ca 0.52 0.11 -0.05 0.00 0.00 0.00 0.00 51.96 52.54 1j5h s ALA 63 Cb -0.24 -3.12 0.11 0.00 0.00 0.00 0.00 23.12 19.87 1j5h s ALA 63 CO 0.29 -0.53 0.42 -1.54 0.00 0.00 0.00 175.76 174.40 1j5h s SER 64 N -3.45 -0.15 0.00 0.00 1.04 -1.21 0.12 113.70 110.04 1j5h s SER 64 Ca 0.58 0.71 0.00 0.00 0.48 0.00 0.00 55.95 57.72 1j5h s SER 64 Cb -0.11 1.33 0.00 0.00 0.10 0.00 0.00 66.02 67.33 1j5h s SER 64 CO 0.41 -0.26 0.00 1.07 0.98 0.00 0.00 173.24 175.44 1j5h n THR 65 N 5.38 0.00 -2.99 2.02 5.66 0.64 -4.66 114.28 120.33 1j5h n THR 65 Ca -0.06 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.53 1j5h n THR 65 Cb 0.50 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.23 1j5h n THR 65 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1j5h s SER 66 N 0.00 6.76 0.02 1.09 1.04 -1.26 1.00 113.70 122.35 1j5h s SER 66 Ca 0.00 0.94 0.01 0.00 0.48 0.00 0.00 55.95 57.38 1j5h s SER 66 Cb 0.00 -2.40 -0.04 0.00 0.10 0.00 0.00 66.02 63.69 1j5h s SER 66 CO 0.00 -0.40 0.06 -0.76 0.98 0.00 0.00 173.24 173.12 1j5h s LEU 67 N 2.42 3.79 -0.80 2.42 1.02 0.74 -4.84 118.68 123.43 1j5h s LEU 67 Ca 0.32 0.07 -0.22 0.00 0.02 0.00 0.00 54.13 54.32 1j5h s LEU 67 Cb -0.16 -2.28 0.08 0.00 0.02 0.00 0.00 46.19 43.86 1j5h s LEU 67 CO 0.09 0.25 1.12 0.28 0.02 0.00 0.00 176.35 178.11 1j5h s THR 68 N -1.22 4.30 -0.90 5.49 -1.32 -1.26 -1.46 115.64 119.26 1j5h s THR 68 Ca 0.24 -0.65 -0.12 0.00 -1.21 0.00 0.00 61.69 59.94 1j5h s THR 68 Cb -0.12 -4.80 -0.09 0.00 -1.51 0.00 0.00 72.50 65.99 1j5h s THR 68 CO 0.15 -1.59 2.06 0.52 -2.21 0.00 0.00 174.62 173.55 1j5h n VAL 69 N 6.01 2.28 -1.53 5.08 0.31 -0.77 -4.71 118.33 125.00 1j5h n VAL 69 Ca 0.10 -1.59 -0.43 0.00 -0.01 0.00 0.00 64.34 62.41 1j5h n VAL 69 Cb 0.48 -2.23 -0.00 0.00 -0.91 0.00 0.00 33.84 31.17 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 5.35 0.94 -0.07 5.55 1.74 -1.26 -2.30 116.66 126.61 1j5h n ARG 70 Ca 0.47 0.34 -0.07 0.00 -0.77 0.00 0.00 57.85 57.82 1j5h n ARG 70 Cb 0.25 -1.69 -0.03 0.00 -1.02 0.00 0.00 32.46 29.96 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 1.35 0.00 -5.62 5.56 1.12 -1.77 -3.42 114.38 111.60 1j5h h ARG 71 Ca -0.40 0.00 -0.46 0.00 -1.11 0.00 0.00 59.98 58.01 1j5h h ARG 71 Cb 1.37 0.00 -0.16 0.00 -0.01 0.00 0.00 29.97 31.17 1j5h h ARG 71 CO 0.56 0.20 -0.75 -1.54 -3.11 0.00 0.00 179.97 175.33 1j5h s SER 72 N -5.92 2.45 0.00 -3.80 1.04 -1.26 -0.61 113.70 105.60 1j5h s SER 72 Ca -0.16 -0.93 0.00 0.00 0.48 0.00 0.00 55.95 55.34 1j5h s SER 72 Cb 0.02 -0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.02 1j5h s SER 72 CO 0.27 -0.13 0.00 2.22 0.98 0.00 0.00 173.24 176.58 1j5h n PHE 73 N 0.02 0.00 -2.77 5.02 1.16 -0.51 -4.87 117.46 115.52 1j5h n PHE 73 Ca -0.11 0.00 -0.43 0.00 -1.87 0.00 0.00 57.45 55.04 1j5h n PHE 73 Cb 0.59 0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 38.42 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 -0.33 3.62 -0.24 3.97 1.03 -1.24 -1.85 118.70 123.66 1j5h s GLU 74 Ca 0.00 0.30 -0.21 0.00 0.03 0.00 0.00 54.97 55.09 1j5h s GLU 74 Cb 0.00 -3.90 -0.02 0.00 -0.80 0.00 0.00 34.13 29.41 1j5h s GLU 74 CO 0.00 -1.21 0.65 0.20 -1.33 0.00 0.00 175.26 173.56 1j5h s GLY 75 N 2.24 1.88 -0.26 -3.83 0.00 -1.26 -4.65 107.32 101.44 1j5h s GLY 75 Ca 0.39 -0.36 -0.13 0.00 0.00 0.00 0.00 44.72 44.62 1j5h s GLY 75 CO 0.26 1.44 0.28 -1.36 0.00 0.00 0.00 173.10 173.72 1j5h s PHE 76 N 2.36 3.26 0.00 1.90 0.40 -0.65 -1.08 117.98 124.17 1j5h s PHE 76 Ca 0.28 0.30 0.00 0.00 -0.60 0.00 0.00 56.93 56.90 1j5h s PHE 76 Cb -0.16 -2.46 0.00 0.00 0.51 0.00 0.00 43.02 40.92 1j5h s PHE 76 CO 0.09 -0.15 0.15 1.28 0.70 0.00 0.00 175.22 177.29 1j5h n LEU 77 N 5.03 0.00 0.00 -0.37 4.77 0.63 -0.60 117.00 126.45 1j5h n LEU 77 Ca -0.11 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1j5h n LEU 77 Cb 0.51 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1j5h n LEU 77 CO 0.36 -0.02 0.00 0.33 -1.33 0.00 0.00 177.39 176.73 1j5h n PHE 78 N -0.85 0.00 0.00 -1.77 7.35 -1.26 -3.56 117.46 117.37 1j5h n PHE 78 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1j5h n PHE 78 Cb 0.00 -1.11 0.00 0.00 0.35 0.00 0.00 39.48 38.72 1j5h n PHE 78 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1j5h n ASP 79 N -0.31 0.00 0.00 -2.13 2.03 -1.26 -4.95 116.55 109.92 1j5h n ASP 79 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1j5h n ASP 79 Cb 0.16 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.56 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 0.00 -0.83 2.64 0.27 0.00 -1.23 -4.90 105.19 101.15 1j5h n GLY 80 Ca 0.00 0.26 -0.22 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 -0.19 -0.65 2.61 2.01 -1.24 -3.98 115.64 114.20 1j5h s THR 81 Ca 0.00 -0.95 -0.20 0.00 0.31 0.00 0.00 61.69 60.85 1j5h s THR 81 Cb 0.00 -0.93 0.10 0.00 0.01 0.00 0.00 72.50 71.68 1j5h s THR 81 CO 0.00 -0.67 0.82 0.00 -0.69 0.00 0.00 174.62 174.08 1j5h s ARG 82 N 1.77 3.14 0.00 4.92 1.70 -1.26 0.23 118.95 129.45 1j5h s ARG 82 Ca 0.13 -1.28 0.00 0.00 -0.47 0.00 0.00 55.73 54.11 1j5h s ARG 82 Cb -0.17 -4.33 0.00 0.00 -0.57 0.00 0.00 34.95 29.88 1j5h s ARG 82 CO -0.19 -1.63 0.00 0.91 -1.08 0.00 0.00 175.30 173.31 1j5h n TRP 83 N 6.63 0.00 0.00 5.89 5.03 -0.75 -4.99 117.44 129.26 1j5h n TRP 83 Ca -0.04 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.49 1j5h n TRP 83 Cb 0.44 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.72 1j5h n TRP 83 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 1j5h n GLY 84 N 3.82 2.32 2.90 6.99 0.00 -0.24 -4.71 105.19 116.27 1j5h n GLY 84 Ca 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 46.02 45.88 1j5h n GLY 84 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j5h s THR 85 N -0.80 -0.80 0.35 2.61 2.01 -1.25 -3.62 115.64 114.14 1j5h s THR 85 Ca 0.00 -0.44 -0.08 0.00 0.31 0.00 0.00 61.69 61.49 1j5h s THR 85 Cb 0.00 0.00 0.02 0.00 0.01 0.00 0.00 72.50 72.53 1j5h s THR 85 CO 0.00 0.00 0.58 0.54 -0.69 0.00 0.00 174.62 175.05 1j5h s VAL 86 N 1.34 0.00 0.25 3.82 0.11 -0.77 -5.00 120.40 120.15 1j5h s VAL 86 Ca 0.23 -1.38 -0.22 0.00 -2.93 0.00 0.00 61.98 57.67 1j5h s VAL 86 Cb 0.01 -2.69 -0.09 0.00 -1.53 0.00 0.00 36.38 32.08 1j5h s VAL 86 CO -0.08 0.00 0.80 -1.81 -3.33 0.00 0.00 175.10 170.68 1j5h s ASP 87 N -3.17 7.18 -0.04 3.54 1.01 -1.26 -1.42 116.67 122.51 1j5h s ASP 87 Ca 0.25 1.57 0.20 0.00 0.71 0.00 0.00 52.55 55.27 1j5h s ASP 87 Cb -0.02 -2.48 -0.24 0.00 1.01 0.00 0.00 42.92 41.20 1j5h s ASP 87 CO 0.17 0.02 0.48 0.00 0.21 0.00 0.00 175.17 176.05 1j5h h THR 89 N 0.00 0.71 0.00 0.00 1.03 -1.73 0.48 112.91 113.40 1j5h h THR 89 Ca -0.21 -0.39 0.00 0.00 -0.01 0.00 0.00 66.41 65.81 1j5h h THR 89 Cb 1.53 1.23 0.00 0.00 -1.07 0.00 0.00 68.15 69.84 1j5h h THR 89 CO 0.02 0.09 0.00 0.74 -0.01 0.00 0.00 175.52 176.37 1j5h h THR 90 N 0.00 0.00 -0.31 0.00 2.02 -1.89 -3.08 112.91 109.64 1j5h h THR 90 Ca -0.00 -0.95 -0.11 0.00 0.77 0.00 0.00 66.41 66.12 1j5h h THR 90 Cb 0.23 1.95 -0.07 0.00 -1.74 0.00 0.00 68.15 68.52 1j5h h THR 90 CO 0.01 0.00 -0.03 0.00 0.37 0.00 0.00 175.52 175.87 1j5h n ALA 91 N -2.09 3.74 -3.83 6.16 0.00 -0.02 -4.98 120.51 119.49 1j5h n ALA 91 Ca 0.04 -2.80 -0.31 0.00 0.00 0.00 0.00 53.44 50.36 1j5h n ALA 91 Cb 0.51 -0.73 0.01 0.00 0.00 0.00 0.00 19.45 19.24 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 -0.91 -2.46 -0.52 0.00 0.00 -0.58 -3.02 120.51 113.02 1j5h n ALA 92 Ca 0.28 -0.38 -0.19 0.00 0.00 0.00 0.00 53.44 53.15 1j5h n ALA 92 Cb 0.98 -1.39 0.16 0.00 0.00 0.00 0.00 19.45 19.19 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 -3.56 0.98 -0.18 0.00 0.00 0.21 -2.02 119.66 115.09 1j5h s GLN 94 Ca 0.39 0.46 0.00 0.00 -0.00 0.00 0.00 55.36 56.21 1j5h s GLN 94 Cb -0.07 0.47 0.01 0.00 0.00 0.00 0.00 33.01 33.42 1j5h s GLN 94 CO 0.36 -0.26 -0.18 0.08 0.00 0.00 0.00 175.29 175.30 1j5h s VAL 95 N -0.74 2.31 0.04 3.63 1.01 -0.68 -1.29 120.40 124.69 1j5h s VAL 95 Ca -0.08 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.04 1j5h s VAL 95 Cb -0.02 -1.98 -0.00 0.00 0.00 0.00 0.00 36.38 34.38 1j5h s VAL 95 CO 0.07 0.52 0.02 0.61 0.00 0.00 0.00 175.10 176.33 1j5h n GLY 96 N 4.50 3.97 3.78 4.51 0.00 -1.02 -1.12 105.19 119.81 1j5h n GLY 96 Ca -0.20 -1.84 -0.30 0.00 0.00 0.00 0.00 46.02 43.68 1j5h n GLY 96 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j5h s LEU 97 N 0.00 3.80 -0.21 0.99 2.01 -1.26 -1.24 118.68 122.78 1j5h s LEU 97 Ca 0.03 -0.03 -0.01 0.00 0.01 0.00 0.00 54.13 54.13 1j5h s LEU 97 Cb 0.00 -2.47 0.06 0.00 0.01 0.00 0.00 46.19 43.79 1j5h s LEU 97 CO 0.02 0.15 0.00 -0.55 1.01 0.00 0.00 176.35 176.99 1j5h s SER 98 N -2.52 3.22 0.37 2.29 0.15 0.30 -4.44 113.70 113.07 1j5h s SER 98 Ca 0.30 -0.93 0.03 0.00 0.70 0.00 0.00 55.95 56.05 1j5h s SER 98 Cb -0.12 -0.81 0.03 0.00 -1.71 0.00 0.00 66.02 63.42 1j5h s SER 98 CO 0.22 -0.28 0.28 -0.90 1.20 0.00 0.00 173.24 173.77 1j5h n ASP 99 N 4.91 2.14 -1.11 5.45 5.68 -1.26 -0.57 116.55 131.79 1j5h n ASP 99 Ca -0.10 -2.25 0.03 0.00 -0.50 0.00 0.00 54.79 51.96 1j5h n ASP 99 Cb 0.46 -0.04 0.17 0.00 -1.14 0.00 0.00 41.12 40.58 1j5h n ASP 99 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1j5h n ALA 100 N -2.25 3.12 -2.66 2.12 0.00 -1.26 -3.25 120.51 116.33 1j5h n ALA 100 Ca -0.12 -0.84 -0.03 0.00 0.00 0.00 0.00 53.44 52.45 1j5h n ALA 100 Cb 0.42 -1.06 0.02 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 0.26 -2.59 0.00 0.00 0.00 -1.26 -4.98 120.51 111.94 1j5h n ALA 101 Ca 0.12 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1j5h n ALA 101 Cb 0.67 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1j5h n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j5h n GLY 102 N -0.24 0.01 3.03 0.00 0.00 -1.26 -5.09 105.19 101.64 1j5h n GLY 102 Ca -0.22 -0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 1j5h n GLY 102 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1j5h n ASN 103 N -0.22 -4.64 0.00 1.61 0.23 -1.20 -4.78 115.26 106.26 1j5h n ASN 103 Ca 0.00 0.11 0.00 0.00 -0.53 0.00 0.00 54.58 54.16 1j5h n ASN 103 Cb 0.00 -0.70 0.00 0.00 -2.08 0.00 0.00 39.78 37.00 1j5h n ASN 103 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1j5h n GLY 104 N 3.35 0.69 3.59 4.83 0.00 -1.26 -4.90 105.19 111.49 1j5h n GLY 104 Ca -0.01 -2.09 -0.42 0.00 0.00 0.00 0.00 46.02 43.50 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 -1.06 3.42 0.00 1.61 0.04 -1.26 -4.56 135.00 133.19 1j5h s PRO 105 Ca 0.00 0.76 0.00 0.00 0.04 0.00 0.00 61.00 61.80 1j5h s PRO 105 Cb 0.00 -4.09 0.00 0.00 0.04 0.00 0.00 34.50 30.45 1j5h s PRO 105 CO 0.00 -1.77 0.00 0.39 0.04 0.00 0.00 177.00 175.66 1j5h n GLU 106 N 8.36 0.00 -1.90 4.56 1.02 -1.26 -5.16 120.64 126.26 1j5h n GLU 106 Ca 0.15 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 57.00 1j5h n GLU 106 Cb 0.49 0.00 0.12 0.00 -0.02 0.00 0.00 31.44 32.03 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 0.00 1.65 -0.41 0.62 0.00 -1.26 -4.72 107.32 103.20 1j5h s GLY 107 Ca 0.00 -0.82 -0.17 0.00 0.00 0.00 0.00 44.72 43.74 1j5h s GLY 107 CO 0.00 -0.24 0.41 0.54 0.00 0.00 0.00 173.10 173.81 1j5h s VAL 108 N -3.67 5.12 -0.07 1.40 0.11 -0.27 -4.70 120.40 118.32 1j5h s VAL 108 Ca 0.66 -0.35 -0.30 0.00 -2.93 0.00 0.00 61.98 59.06 1j5h s VAL 108 Cb -0.09 -4.00 -0.08 0.00 -1.53 0.00 0.00 36.38 30.67 1j5h s VAL 108 CO 0.50 -0.38 2.04 0.00 -3.33 0.00 0.00 175.10 173.94 1j5h n ALA 109 N 5.52 1.54 -2.44 1.54 0.00 -1.26 -1.69 120.51 123.72 1j5h n ALA 109 Ca -0.08 0.08 -0.28 0.00 0.00 0.00 0.00 53.44 53.15 1j5h n ALA 109 Cb 0.48 -2.73 -0.12 0.00 0.00 0.00 0.00 19.45 17.08 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 5.63 2.52 -0.89 0.00 1.01 -0.86 -4.97 121.20 123.65 1j5h s ILE 110 Ca 0.94 -1.74 -0.22 0.00 0.00 0.00 0.00 60.65 59.62 1j5h s ILE 110 Cb -0.45 -2.16 0.07 0.00 0.01 0.00 0.00 42.46 39.93 1j5h s ILE 110 CO 0.42 0.03 1.25 -0.55 0.00 0.00 0.00 174.94 176.09 1j5h s SER 111 N -2.28 6.43 -0.03 3.58 0.15 -0.63 -4.26 113.70 116.65 1j5h s SER 111 Ca 0.17 -1.38 0.05 0.00 0.70 0.00 0.00 55.95 55.50 1j5h s SER 111 Cb -0.10 -2.49 0.21 0.00 -1.71 0.00 0.00 66.02 61.93 1j5h s SER 111 CO 0.09 -1.43 1.01 0.49 1.20 0.00 0.00 173.24 174.60 1j5h n PHE 112 N 8.10 0.45 0.79 3.44 3.01 -1.26 0.13 117.46 132.12 1j5h n PHE 112 Ca 0.19 -0.18 0.06 0.00 1.01 0.00 0.00 57.45 58.54 1j5h n PHE 112 Cb 0.49 -0.11 0.38 0.00 -0.01 0.00 0.00 39.48 40.23 1j5h n PHE 112 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06