#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 0.00 -2.29 0.00 0.00 -1.26 -5.13 120.51 111.84 1j5h n ALA 2 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1j5h n ALA 2 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 0.00 4.51 0.00 0.00 0.04 -1.26 -4.96 135.00 133.32 1j5h s PRO 3 Ca 0.00 1.73 0.00 0.00 0.04 0.00 0.00 61.00 62.77 1j5h s PRO 3 Cb 0.00 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 31.22 1j5h s PRO 3 CO 0.00 -0.10 0.00 -2.37 0.04 0.00 0.00 177.00 174.57 1j5h n THR 4 N 3.24 0.00 -3.80 1.26 5.66 0.22 -4.67 114.28 116.19 1j5h n THR 4 Ca 0.06 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.85 1j5h n THR 4 Cb 0.47 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.22 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 3.89 0.05 1.79 0.00 -1.25 0.15 121.76 124.38 1j5h s ALA 5 Ca 0.00 -1.54 -0.13 0.00 0.00 0.00 0.00 51.96 50.29 1j5h s ALA 5 Cb 0.00 -1.34 0.02 0.00 0.00 0.00 0.00 23.12 21.80 1j5h s ALA 5 CO 0.00 0.05 0.29 0.95 0.00 0.00 0.00 175.76 177.05 1j5h s THR 6 N -2.23 0.09 -0.10 0.00 -4.23 0.52 -4.46 115.64 105.23 1j5h s THR 6 Ca 0.40 -0.72 -0.12 0.00 -1.18 0.00 0.00 61.69 60.07 1j5h s THR 6 Cb -0.07 -0.95 -0.05 0.00 1.34 0.00 0.00 72.50 72.77 1j5h s THR 6 CO 0.27 -0.40 0.27 -0.69 -0.54 0.00 0.00 174.62 173.54 1j5h s VAL 7 N -2.62 5.29 0.15 2.29 1.01 -1.26 -1.71 120.40 123.55 1j5h s VAL 7 Ca -0.05 0.51 -0.23 0.00 0.00 0.00 0.00 61.98 62.21 1j5h s VAL 7 Cb -0.01 -3.58 -0.00 0.00 0.00 0.00 0.00 36.38 32.80 1j5h s VAL 7 CO -0.04 0.52 1.28 0.41 0.00 0.00 0.00 175.10 177.27 1j5h n THR 8 N 2.59 -0.54 -1.52 3.92 -1.04 -0.72 -4.44 114.28 112.53 1j5h n THR 8 Ca -0.15 2.00 -0.30 0.00 -2.04 0.00 0.00 64.05 63.55 1j5h n THR 8 Cb 0.53 -2.50 0.21 0.00 -1.82 0.00 0.00 70.33 66.75 1j5h n THR 8 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1j5h s PRO 9 N -5.50 -0.25 0.00 -2.82 0.04 -1.26 -5.02 135.00 120.19 1j5h s PRO 9 Ca -0.10 -0.24 0.00 0.00 0.04 0.00 0.00 61.00 60.70 1j5h s PRO 9 Cb 0.11 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.92 1j5h s PRO 9 CO 0.53 -3.04 0.44 -1.13 0.04 0.00 0.00 177.00 173.85 1j5h n SER 10 N -4.25 0.00 0.00 6.66 3.41 -1.26 -4.97 113.62 113.21 1j5h n SER 10 Ca 0.14 -1.14 0.00 0.00 -0.26 0.00 0.00 58.87 57.61 1j5h n SER 10 Cb 0.59 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 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 0.00 0.00 -2.30 4.04 3.41 -1.25 -2.00 113.62 115.52 1j5h n SER 11 Ca 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.46 1j5h n SER 11 Cb 0.53 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.52 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 -0.62 -0.05 0.00 5.00 0.00 -0.22 -4.81 105.19 104.50 1j5h n GLY 12 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.11 0.00 -3.61 0.99 4.77 -0.89 -4.96 117.00 110.18 1j5h n LEU 13 Ca -0.03 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.85 1j5h n LEU 13 Cb 0.56 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.62 1j5h n LEU 13 CO 0.37 0.00 0.39 -0.55 -1.33 0.00 0.00 177.39 176.27 1j5h s SER 14 N -1.00 -0.41 -0.66 -1.43 0.15 -1.26 -4.63 113.70 104.46 1j5h s SER 14 Ca 0.00 -0.27 -0.26 0.00 0.70 0.00 0.00 55.95 56.12 1j5h s SER 14 Cb 0.00 0.63 -0.12 0.00 -1.71 0.00 0.00 66.02 64.82 1j5h s SER 14 CO 0.00 -1.09 2.42 -0.67 1.20 0.00 0.00 173.24 175.10 1j5h n ASP 15 N -0.39 1.87 -0.15 5.45 -0.08 -1.26 -0.32 116.55 121.67 1j5h n ASP 15 Ca -0.12 -0.89 0.00 0.00 -1.51 0.00 0.00 54.79 52.27 1j5h n ASP 15 Cb 0.63 -1.55 0.00 0.00 2.34 0.00 0.00 41.12 42.54 1j5h n ASP 15 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1j5h n GLY 16 N 6.35 1.05 3.57 0.27 0.00 -1.04 -4.68 105.19 110.70 1j5h n GLY 16 Ca 0.44 -0.24 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.30 3.41 -0.85 2.61 2.01 0.56 -4.51 115.64 116.57 1j5h s THR 17 Ca 0.00 -0.56 -0.25 0.00 0.31 0.00 0.00 61.69 61.19 1j5h s THR 17 Cb 0.00 -4.19 -0.01 0.00 0.01 0.00 0.00 72.50 68.31 1j5h s THR 17 CO 0.00 -0.78 1.71 -0.69 -0.69 0.00 0.00 174.62 174.17 1j5h s VAL 18 N 11.78 3.59 0.52 3.82 1.01 -1.25 -1.72 120.40 138.15 1j5h s VAL 18 Ca 0.73 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 62.48 1j5h s VAL 18 Cb -0.04 -4.39 0.01 0.00 0.00 0.00 0.00 36.38 31.96 1j5h s VAL 18 CO 0.09 -1.32 0.16 0.68 0.00 0.00 0.00 175.10 174.71 1j5h s VAL 19 N 7.97 1.38 0.32 2.92 -7.23 -0.75 -4.84 120.40 120.16 1j5h s VAL 19 Ca 0.59 -1.79 -0.27 0.00 -1.81 0.00 0.00 61.98 58.69 1j5h s VAL 19 Cb -0.06 -2.17 -0.09 0.00 0.56 0.00 0.00 36.38 34.61 1j5h s VAL 19 CO 0.03 0.00 1.05 -0.54 -0.31 0.00 0.00 175.10 175.33 1j5h s LYS 20 N -4.04 4.50 -0.01 4.82 1.02 -1.26 -0.57 119.74 124.20 1j5h s LYS 20 Ca 0.17 1.61 -0.02 0.00 0.02 0.00 0.00 55.97 57.76 1j5h s LYS 20 Cb 0.00 -2.94 0.00 0.00 -0.52 0.00 0.00 37.83 34.37 1j5h s LYS 20 CO 0.10 0.14 0.05 0.08 -0.92 0.00 0.00 175.35 174.80 1j5h s VAL 21 N -1.38 0.03 0.10 3.17 1.01 0.28 -1.76 120.40 121.85 1j5h s VAL 21 Ca 0.49 -0.24 -0.03 0.00 0.00 0.00 0.00 61.98 62.20 1j5h s VAL 21 Cb -0.26 -0.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.93 1j5h s VAL 21 CO 0.33 -0.13 0.08 0.00 0.00 0.00 0.00 175.10 175.38 1j5h s ALA 22 N -0.39 0.50 0.00 5.51 0.00 -0.70 -0.26 121.76 126.42 1j5h s ALA 22 Ca -0.04 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 50.71 1j5h s ALA 22 Cb -0.03 0.63 0.00 0.00 0.00 0.00 0.00 23.12 23.72 1j5h s ALA 22 CO 0.00 -0.48 0.00 0.41 0.00 0.00 0.00 175.76 175.69 1j5h n GLY 23 N -0.04 0.84 0.00 0.00 0.00 0.88 -0.35 105.19 106.52 1j5h n GLY 23 Ca -0.10 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.84 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 1.29 0.00 0.59 4.61 0.00 0.40 -1.55 120.51 125.85 1j5h n ALA 24 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1j5h n ALA 24 Cb 0.00 0.00 0.28 0.00 0.00 0.00 0.00 19.45 19.73 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 -0.34 3.72 0.00 0.00 -1.26 0.70 105.19 108.00 1j5h n GLY 25 Ca 0.00 -0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.03 -2.56 0.00 0.99 7.94 -1.06 -4.89 117.00 116.39 1j5h n LEU 26 Ca 0.07 -0.97 0.00 0.00 -1.11 0.00 0.00 56.01 54.00 1j5h n LEU 26 Cb 0.04 -2.19 0.00 0.00 0.53 0.00 0.00 43.42 41.80 1j5h n LEU 26 CO 0.06 0.36 0.00 1.67 -1.11 0.00 0.00 177.39 178.37 1j5h n GLN 27 N -3.82 0.00 -2.78 1.96 7.27 0.23 -4.57 117.38 115.67 1j5h n GLN 27 Ca -0.13 0.00 0.02 0.00 0.07 0.00 0.00 57.00 56.96 1j5h n GLN 27 Cb 0.60 0.00 0.01 0.00 2.41 0.00 0.00 30.24 33.25 1j5h n GLN 27 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1j5h s ALA 28 N -4.00 -4.53 -1.00 1.69 0.00 -1.26 -3.29 121.76 109.37 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 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 20.10 1j5h s ALA 28 CO 0.00 -2.48 0.00 0.41 0.00 0.00 0.00 175.76 173.69 1j5h n GLY 29 N 3.76 0.90 3.70 0.00 0.00 -1.25 -4.91 105.19 107.39 1j5h n GLY 29 Ca 0.06 0.00 -0.29 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 -1.71 2.06 0.16 2.61 2.01 -1.26 -4.24 115.64 115.27 1j5h s THR 30 Ca 0.00 0.02 -0.19 0.00 0.31 0.00 0.00 61.69 61.83 1j5h s THR 30 Cb 0.00 -2.57 -0.07 0.00 0.01 0.00 0.00 72.50 69.87 1j5h s THR 30 CO 0.00 -0.03 0.65 0.00 -0.69 0.00 0.00 174.62 174.55 1j5h s ALA 31 N -3.03 3.51 -0.42 7.40 0.00 -1.26 -1.05 121.76 126.90 1j5h s ALA 31 Ca 0.65 0.08 0.05 0.00 0.00 0.00 0.00 51.96 52.74 1j5h s ALA 31 Cb -0.18 -2.71 0.19 0.00 0.00 0.00 0.00 23.12 20.42 1j5h s ALA 31 CO 0.57 0.37 0.44 0.66 0.00 0.00 0.00 175.76 177.80 1j5h n TYR 32 N 1.11 -1.20 -1.64 0.00 4.01 0.66 -4.84 117.16 115.26 1j5h n TYR 32 Ca -0.06 -3.11 -0.48 0.00 -0.16 0.00 0.00 57.90 54.10 1j5h n TYR 32 Cb 0.51 0.30 -0.05 0.00 -0.31 0.00 0.00 39.34 39.79 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 2.47 2.52 -4.71 7.72 8.00 0.23 -1.65 116.55 131.14 1j5h n ASP 33 Ca 0.26 1.10 -0.34 0.00 0.71 0.00 0.00 54.79 56.52 1j5h n ASP 33 Cb 0.51 -1.34 0.11 0.00 -0.02 0.00 0.00 41.12 40.38 1j5h n ASP 33 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1j5h s VAL 34 N 0.68 2.04 0.00 2.53 1.01 0.30 0.91 120.40 127.86 1j5h s VAL 34 Ca 0.80 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.80 1j5h s VAL 34 Cb -0.78 -2.58 0.00 0.00 0.00 0.00 0.00 36.38 33.02 1j5h s VAL 34 CO 0.42 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.12 1j5h n GLY 35 N 0.61 0.06 1.90 4.51 0.00 -0.51 -4.56 105.19 107.19 1j5h n GLY 35 Ca 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.04 -1.63 -4.00 1.61 -0.06 -1.25 -4.34 117.38 106.67 1j5h n GLN 36 Ca 0.00 1.55 -0.24 0.00 -2.00 0.00 0.00 57.00 56.31 1j5h n GLN 36 Cb 0.00 -2.48 -0.05 0.00 -4.06 0.00 0.00 30.24 23.65 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 -2.69 -1.91 1.20 0.00 0.00 0.21 0.10 121.76 118.67 1j5h s ALA 38 Ca 0.03 2.13 -0.14 0.00 0.00 0.00 0.00 51.96 53.97 1j5h s ALA 38 Cb 0.00 -1.37 0.28 0.00 0.00 0.00 0.00 23.12 22.03 1j5h s ALA 38 CO 0.02 -0.33 0.83 1.87 0.00 0.00 0.00 175.76 178.15 1j5h n TRP 39 N 3.17 -1.56 0.00 0.00 -0.00 -0.82 -0.04 117.44 118.19 1j5h n TRP 39 Ca -0.16 -0.18 0.00 0.00 -0.00 0.00 0.00 57.50 57.16 1j5h n TRP 39 Cb 0.57 -1.64 0.00 0.00 -0.00 0.00 0.00 31.31 30.24 1j5h n TRP 39 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 1j5h n VAL 40 N -5.01 0.00 -1.74 5.87 0.31 0.14 -4.41 118.33 113.49 1j5h n VAL 40 Ca 0.02 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.30 1j5h n VAL 40 Cb 0.56 0.00 0.03 0.00 -0.91 0.00 0.00 33.84 33.52 1j5h n VAL 40 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1j5h n ASP 41 N 0.00 0.14 -4.56 4.52 4.64 -0.74 -4.88 116.55 115.66 1j5h n ASP 41 Ca 0.00 -1.16 -0.31 0.00 -1.38 0.00 0.00 54.79 51.94 1j5h n ASP 41 Cb 0.00 -0.16 -0.04 0.00 -1.04 0.00 0.00 41.12 39.87 1j5h n ASP 41 CO 0.00 0.00 0.00 -0.89 -0.82 0.00 0.00 177.20 175.49 1j5h s THR 42 N -1.00 3.60 0.00 5.18 2.01 -1.26 -2.02 115.64 122.15 1j5h s THR 42 Ca 0.14 -0.52 0.00 0.00 0.31 0.00 0.00 61.69 61.62 1j5h s THR 42 Cb -0.01 -4.34 0.00 0.00 0.01 0.00 0.00 72.50 68.16 1j5h s THR 42 CO 0.09 -1.25 0.00 0.61 -0.69 0.00 0.00 174.62 173.39 1j5h n GLY 43 N 6.81 0.52 3.53 4.40 0.00 -1.26 -5.07 105.19 114.12 1j5h n GLY 43 Ca 0.38 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.06 1j5h n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j5h s VAL 44 N -2.00 4.13 0.08 1.61 1.01 -0.86 -5.05 120.40 119.32 1j5h s VAL 44 Ca 0.00 -0.27 0.08 0.00 0.00 0.00 0.00 61.98 61.79 1j5h s VAL 44 Cb 0.00 -2.83 -0.03 0.00 0.00 0.00 0.00 36.38 33.52 1j5h s VAL 44 CO 0.00 0.48 -0.21 -0.22 0.00 0.00 0.00 175.10 175.15 1j5h s LEU 45 N 0.38 2.26 -0.10 3.92 0.20 -1.26 0.25 118.68 124.33 1j5h s LEU 45 Ca -0.02 -0.64 0.02 0.00 0.69 0.00 0.00 54.13 54.18 1j5h s LEU 45 Cb -0.14 -0.92 0.01 0.00 -0.43 0.00 0.00 46.19 44.72 1j5h s LEU 45 CO 0.02 0.09 -0.15 0.00 -0.29 0.00 0.00 176.35 176.02 1j5h s ALA 46 N -1.05 1.65 0.60 5.97 0.00 0.94 -4.49 121.76 125.38 1j5h s ALA 46 Ca 0.07 -0.69 -0.01 0.00 0.00 0.00 0.00 51.96 51.33 1j5h s ALA 46 Cb -0.10 -0.77 0.04 0.00 0.00 0.00 0.00 23.12 22.30 1j5h s ALA 46 CO 0.04 0.00 0.86 0.00 0.00 0.00 0.00 175.76 176.66 1j5h n ASN 48 N -2.54 3.58 -1.33 0.00 5.15 0.59 0.02 115.26 120.74 1j5h n ASN 48 Ca 0.08 -3.24 0.00 0.00 -0.60 0.00 0.00 54.58 50.82 1j5h n ASN 48 Cb 0.60 -0.84 0.00 0.00 -0.53 0.00 0.00 39.78 39.01 1j5h n ASN 48 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1j5h n PRO 49 N 1.83 0.75 0.00 1.20 -0.04 -1.26 -2.12 135.00 135.37 1j5h n PRO 49 Ca 0.22 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 1j5h n PRO 49 Cb 0.36 -1.12 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 1.15 1.40 0.25 0.55 0.00 -1.26 -4.81 120.51 117.78 1j5h n ALA 50 Ca 0.00 -0.27 -0.18 0.00 0.00 0.00 0.00 53.44 52.99 1j5h n ALA 50 Cb 0.38 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.73 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 -1.39 0.00 0.00 2.03 -1.65 -3.45 116.42 111.96 1j5h h ASP 51 Ca 0.00 0.12 0.00 0.00 -0.73 0.00 0.00 57.03 56.42 1j5h h ASP 51 Cb 0.21 0.47 0.00 0.00 -0.83 0.00 0.00 39.33 39.19 1j5h h ASP 51 CO 0.00 -0.63 0.00 0.33 -1.03 0.00 0.00 179.24 177.91 1j5h n PHE 52 N -5.54 0.00 -0.92 4.15 7.35 -1.26 -4.97 117.46 116.27 1j5h n PHE 52 Ca -0.11 0.00 -0.34 0.00 -0.76 0.00 0.00 57.45 56.24 1j5h n PHE 52 Cb 0.45 -0.02 0.11 0.00 0.35 0.00 0.00 39.48 40.37 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 0.38 -1.37 -3.67 -2.13 7.64 -1.26 -4.75 113.62 108.46 1j5h n SER 53 Ca 0.00 0.42 -0.14 0.00 1.01 0.00 0.00 58.87 60.16 1j5h n SER 53 Cb 0.00 -1.26 -0.08 0.00 -1.01 0.00 0.00 64.21 61.86 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 -1.96 -0.54 0.07 6.43 0.15 -1.26 0.11 113.70 116.71 1j5h s SER 54 Ca 0.61 0.90 0.06 0.00 0.70 0.00 0.00 55.95 58.22 1j5h s SER 54 Cb -0.25 0.91 -0.03 0.00 -1.71 0.00 0.00 66.02 64.94 1j5h s SER 54 CO 0.63 -0.30 -0.15 0.54 1.20 0.00 0.00 173.24 175.16 1j5h s VAL 55 N -0.19 1.21 0.06 4.45 0.11 -0.66 -4.82 120.40 120.56 1j5h s VAL 55 Ca -0.04 -1.28 0.02 0.00 -2.93 0.00 0.00 61.98 57.75 1j5h s VAL 55 Cb -0.03 -1.14 -0.04 0.00 -1.53 0.00 0.00 36.38 33.64 1j5h s VAL 55 CO 0.03 -0.15 0.07 -0.89 -3.33 0.00 0.00 175.10 170.83 1j5h s THR 56 N -1.17 4.55 0.99 5.04 2.01 -1.26 -0.25 115.64 125.56 1j5h s THR 56 Ca 0.00 -0.68 -0.15 0.00 0.31 0.00 0.00 61.69 61.17 1j5h s THR 56 Cb -0.10 -3.16 0.19 0.00 0.01 0.00 0.00 72.50 69.45 1j5h s THR 56 CO 0.02 0.19 1.19 0.00 -0.69 0.00 0.00 174.62 175.33 1j5h s ALA 57 N -1.33 1.66 -0.07 7.40 0.00 -0.22 -1.96 121.76 127.24 1j5h s ALA 57 Ca 0.27 -0.84 -0.01 0.00 0.00 0.00 0.00 51.96 51.39 1j5h s ALA 57 Cb -0.12 -2.92 0.03 0.00 0.00 0.00 0.00 23.12 20.11 1j5h s ALA 57 CO 0.20 -2.63 -0.01 0.16 0.00 0.00 0.00 175.76 173.48 1j5h s ASP 58 N -4.28 1.51 0.00 0.00 1.47 0.36 -3.80 116.67 111.94 1j5h s ASP 58 Ca 0.69 -0.10 0.00 0.00 1.18 0.00 0.00 52.55 54.32 1j5h s ASP 58 Cb -0.10 -0.46 0.00 0.00 -0.34 0.00 0.00 42.92 42.02 1j5h s ASP 58 CO 0.54 -0.17 0.00 0.00 0.68 0.00 0.00 175.17 176.22 1j5h n ALA 59 N 4.98 0.00 -0.29 2.11 0.00 -1.26 0.16 120.51 126.22 1j5h n ALA 59 Ca -0.10 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.47 1j5h n ALA 59 Cb 0.50 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.20 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 -0.09 0.00 0.00 4.13 -1.26 -4.19 115.26 114.32 1j5h n ASN 60 Ca 0.00 1.41 0.00 0.00 1.68 0.00 0.00 54.58 57.67 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 -1.41 0.12 3.74 7.41 0.00 0.43 -4.18 105.19 111.31 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 -1.35 0.00 0.00 0.00 173.32 171.97 1j5h s SER 62 N -0.05 7.47 0.64 1.61 1.04 -1.20 -0.60 113.70 122.61 1j5h s SER 62 Ca 0.00 1.96 -0.12 0.00 0.48 0.00 0.00 55.95 58.27 1j5h s SER 62 Cb 0.00 -2.60 -0.02 0.00 0.10 0.00 0.00 66.02 63.50 1j5h s SER 62 CO 0.00 -0.04 1.05 0.00 0.98 0.00 0.00 173.24 175.23 1j5h s ALA 63 N -0.55 2.81 -0.28 5.32 0.00 -0.60 0.14 121.76 128.60 1j5h s ALA 63 Ca 0.45 0.13 -0.03 0.00 0.00 0.00 0.00 51.96 52.51 1j5h s ALA 63 Cb -0.26 -3.16 0.16 0.00 0.00 0.00 0.00 23.12 19.85 1j5h s ALA 63 CO 0.33 -0.95 0.56 -1.54 0.00 0.00 0.00 175.76 174.16 1j5h s SER 64 N -3.59 -0.99 -0.08 0.00 1.04 -0.83 -0.08 113.70 109.17 1j5h s SER 64 Ca 0.59 0.91 -0.31 0.00 0.48 0.00 0.00 55.95 57.61 1j5h s SER 64 Cb -0.13 1.96 0.12 0.00 0.10 0.00 0.00 66.02 68.07 1j5h s SER 64 CO 0.49 -0.26 1.39 0.28 0.98 0.00 0.00 173.24 176.12 1j5h s THR 65 N 2.80 0.00 -0.16 2.02 -1.32 0.64 -4.51 115.64 115.11 1j5h s THR 65 Ca 0.13 -0.04 -0.18 0.00 -1.21 0.00 0.00 61.69 60.39 1j5h s THR 65 Cb -0.14 -2.49 -0.04 0.00 -1.51 0.00 0.00 72.50 68.31 1j5h s THR 65 CO -0.19 0.00 0.48 -0.44 -2.21 0.00 0.00 174.62 172.26 1j5h s SER 66 N -3.48 6.62 -0.09 8.08 0.01 -1.26 0.10 113.70 123.69 1j5h s SER 66 Ca 0.23 0.74 0.00 0.00 1.31 0.00 0.00 55.95 58.23 1j5h s SER 66 Cb 0.04 -2.28 -0.03 0.00 0.21 0.00 0.00 66.02 63.96 1j5h s SER 66 CO -0.04 -0.07 -0.08 -0.76 0.41 0.00 0.00 173.24 172.69 1j5h s LEU 67 N 1.04 3.04 -0.99 2.44 1.02 0.26 -4.88 118.68 120.62 1j5h s LEU 67 Ca 0.25 -0.11 -0.21 0.00 0.02 0.00 0.00 54.13 54.08 1j5h s LEU 67 Cb -0.15 -1.67 0.09 0.00 0.02 0.00 0.00 46.19 44.48 1j5h s LEU 67 CO 0.10 0.30 1.31 0.28 0.02 0.00 0.00 176.35 178.35 1j5h s THR 68 N -0.43 4.33 -0.31 5.49 -1.32 -1.26 -1.81 115.64 120.33 1j5h s THR 68 Ca 0.06 -1.23 -0.20 0.00 -1.21 0.00 0.00 61.69 59.11 1j5h s THR 68 Cb -0.12 -4.93 -0.21 0.00 -1.51 0.00 0.00 72.50 65.73 1j5h s THR 68 CO 0.02 -1.73 1.63 0.52 -2.21 0.00 0.00 174.62 172.85 1j5h n VAL 69 N 6.16 0.77 -1.70 5.08 0.31 -0.70 -4.66 118.33 123.59 1j5h n VAL 69 Ca 0.29 -0.60 -0.43 0.00 -0.01 0.00 0.00 64.34 63.60 1j5h n VAL 69 Cb 0.50 -2.01 -0.01 0.00 -0.91 0.00 0.00 33.84 31.40 1j5h n VAL 69 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 1j5h n ARG 70 N 6.74 2.20 0.00 5.55 1.85 -1.26 -2.35 116.66 129.39 1j5h n ARG 70 Ca 0.39 0.78 0.00 0.00 -1.00 0.00 0.00 57.85 58.01 1j5h n ARG 70 Cb 0.30 -2.41 0.00 0.00 -1.05 0.00 0.00 32.46 29.30 1j5h n ARG 70 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 1j5h n ARG 71 N 1.22 0.00 -3.09 2.89 0.00 -1.26 -4.63 116.66 111.79 1j5h n ARG 71 Ca 0.07 0.04 -0.39 0.00 -0.00 0.00 0.00 57.85 57.57 1j5h n ARG 71 Cb 0.35 -0.38 -0.05 0.00 0.00 0.00 0.00 32.46 32.38 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 -2.77 6.99 0.00 6.15 0.15 -1.26 0.40 113.70 123.36 1j5h s SER 72 Ca 0.00 1.18 0.00 0.00 0.70 0.00 0.00 55.95 57.83 1j5h s SER 72 Cb 0.00 -2.40 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 1j5h s SER 72 CO 0.00 -0.05 0.00 2.22 1.20 0.00 0.00 173.24 176.61 1j5h n PHE 73 N 3.44 -0.01 -4.95 3.44 1.16 -0.35 -4.90 117.46 115.30 1j5h n PHE 73 Ca -0.03 0.00 -0.32 0.00 -1.87 0.00 0.00 57.45 55.23 1j5h n PHE 73 Cb 0.51 0.00 -0.15 0.00 -1.61 0.00 0.00 39.48 38.23 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 -0.61 2.93 0.27 3.97 1.03 -1.26 0.25 118.70 125.27 1j5h s GLU 74 Ca 0.00 -0.75 0.00 0.00 0.03 0.00 0.00 54.97 54.25 1j5h s GLU 74 Cb 0.00 -2.43 -0.00 0.00 -0.80 0.00 0.00 34.13 30.90 1j5h s GLU 74 CO 0.00 0.36 0.01 0.41 -1.33 0.00 0.00 175.26 174.71 1j5h n GLY 75 N 3.05 3.84 2.91 -3.83 0.00 0.30 -4.81 105.19 106.65 1j5h n GLY 75 Ca -0.18 -2.27 -0.14 0.00 0.00 0.00 0.00 46.02 43.44 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 0.11 1.61 0.40 0.10 0.39 117.98 118.77 1j5h s PHE 76 Ca 0.01 -0.05 -0.31 0.00 -0.60 0.00 0.00 56.93 55.99 1j5h s PHE 76 Cb 0.00 -0.13 -0.12 0.00 0.51 0.00 0.00 43.02 43.28 1j5h s PHE 76 CO 0.01 -0.01 1.50 -0.07 0.70 0.00 0.00 175.22 177.35 1j5h h LEU 77 N 6.06 -1.57 0.00 -0.37 -0.00 -1.39 0.16 115.31 118.20 1j5h h LEU 77 Ca -0.26 0.19 0.00 0.00 -0.00 0.00 0.00 57.88 57.81 1j5h h LEU 77 Cb 1.20 0.61 0.00 0.00 -0.00 0.00 0.00 40.66 42.48 1j5h h LEU 77 CO 0.50 -0.44 0.00 0.33 -0.00 0.00 0.00 178.44 178.83 1j5h n PHE 78 N -5.16 0.00 -0.13 1.13 7.35 -1.26 -4.23 117.46 115.16 1j5h n PHE 78 Ca -0.06 0.00 -0.27 0.00 -0.76 0.00 0.00 57.45 56.37 1j5h n PHE 78 Cb 0.34 0.00 -0.11 0.00 0.35 0.00 0.00 39.48 40.07 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 0.00 1.95 0.00 -2.13 4.64 -1.26 -4.98 116.55 114.77 1j5h n ASP 79 Ca 0.00 0.30 0.00 0.00 -1.38 0.00 0.00 54.79 53.71 1j5h n ASP 79 Cb 0.00 -0.81 0.00 0.00 -1.04 0.00 0.00 41.12 39.27 1j5h n ASP 79 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1j5h n GLY 80 N 1.42 0.00 3.11 0.27 0.00 -1.26 -5.16 105.19 103.58 1j5h n GLY 80 Ca -0.48 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 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 1.65 0.67 2.61 2.01 -1.26 -5.01 115.64 116.31 1j5h s THR 81 Ca 0.00 -0.75 -0.16 0.00 0.31 0.00 0.00 61.69 61.08 1j5h s THR 81 Cb 0.00 -1.47 0.01 0.00 0.01 0.00 0.00 72.50 71.04 1j5h s THR 81 CO 0.00 0.47 1.20 0.00 -0.69 0.00 0.00 174.62 175.60 1j5h s ARG 82 N 0.75 2.54 0.12 4.92 1.70 -1.26 -1.22 118.95 126.49 1j5h s ARG 82 Ca -0.11 1.74 -0.12 0.00 -0.47 0.00 0.00 55.73 56.77 1j5h s ARG 82 Cb -0.16 -1.88 0.04 0.00 -0.57 0.00 0.00 34.95 32.38 1j5h s ARG 82 CO 0.02 -1.52 0.57 1.87 -1.08 0.00 0.00 175.30 175.15 1j5h n TRP 83 N -2.25 -1.09 0.00 5.89 -0.00 0.16 -4.71 117.44 115.44 1j5h n TRP 83 Ca 0.13 -0.75 0.00 0.00 -0.00 0.00 0.00 57.50 56.88 1j5h n TRP 83 Cb 0.50 0.37 0.00 0.00 -0.00 0.00 0.00 31.31 32.18 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 -0.40 1.48 2.92 5.87 0.00 -1.26 0.11 105.19 113.91 1j5h n GLY 84 Ca -0.02 -0.47 -0.16 0.00 0.00 0.00 0.00 46.02 45.37 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 0.00 0.00 -3.59 2.61 5.66 0.68 -4.73 114.28 114.91 1j5h n THR 85 Ca 0.00 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 60.94 1j5h n THR 85 Cb 0.00 -0.19 0.02 0.00 -1.55 0.00 0.00 70.33 68.62 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 -2.57 0.00 -2.46 1.08 3.14 -0.90 -4.92 118.33 111.71 1j5h n VAL 86 Ca 0.04 -0.68 -0.40 0.00 -2.96 0.00 0.00 64.34 60.35 1j5h n VAL 86 Cb 0.37 0.69 -0.03 0.00 -1.06 0.00 0.00 33.84 33.81 1j5h n VAL 86 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 1j5h s ASP 87 N -2.51 6.05 0.57 6.55 1.01 -1.26 -1.21 116.67 125.87 1j5h s ASP 87 Ca 0.12 -0.55 0.39 0.00 0.71 0.00 0.00 52.55 53.22 1j5h s ASP 87 Cb -0.03 -2.56 1.50 0.00 1.01 0.00 0.00 42.92 42.84 1j5h s ASP 87 CO 0.08 -1.89 1.63 0.00 0.21 0.00 0.00 175.17 175.20 1j5h h THR 89 N 0.00 0.23 0.00 0.00 1.03 -1.88 1.58 112.91 113.87 1j5h h THR 89 Ca 0.66 0.00 -0.05 0.00 -0.01 0.00 0.00 66.41 67.01 1j5h h THR 89 Cb 2.87 0.50 -0.01 0.00 -1.07 0.00 0.00 68.15 70.44 1j5h h THR 89 CO -0.01 0.00 -0.23 0.74 -0.01 0.00 0.00 175.52 176.02 1j5h h THR 90 N 0.00 0.60 -0.70 0.00 2.02 0.18 -2.81 112.91 112.19 1j5h h THR 90 Ca 0.22 -1.06 -0.50 0.00 0.77 0.00 0.00 66.41 65.84 1j5h h THR 90 Cb 1.42 1.70 -0.34 0.00 -1.74 0.00 0.00 68.15 69.19 1j5h h THR 90 CO -0.00 0.22 -0.42 0.00 0.37 0.00 0.00 175.52 175.69 1j5h n ALA 91 N -2.25 5.09 -3.85 6.16 0.00 0.54 -4.95 120.51 121.26 1j5h n ALA 91 Ca -0.00 -3.64 -0.24 0.00 0.00 0.00 0.00 53.44 49.56 1j5h n ALA 91 Cb 0.40 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 19.23 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 -0.82 -1.79 -0.91 0.00 0.00 -1.06 -1.94 120.51 113.99 1j5h n ALA 92 Ca 0.45 -0.30 -0.36 0.00 0.00 0.00 0.00 53.44 53.22 1j5h n ALA 92 Cb 0.90 -1.18 0.07 0.00 0.00 0.00 0.00 19.45 19.24 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 -2.50 0.46 -0.10 0.00 0.00 0.11 -1.69 119.66 115.95 1j5h s GLN 94 Ca 0.44 -0.80 0.02 0.00 -0.00 0.00 0.00 55.36 55.02 1j5h s GLN 94 Cb -0.07 0.17 0.02 0.00 0.00 0.00 0.00 33.01 33.13 1j5h s GLN 94 CO 0.72 -0.09 -0.14 0.08 0.00 0.00 0.00 175.29 175.86 1j5h s VAL 95 N -2.38 1.36 0.29 3.63 1.01 -0.73 -0.95 120.40 122.64 1j5h s VAL 95 Ca -0.07 -0.57 -0.11 0.00 0.00 0.00 0.00 61.98 61.23 1j5h s VAL 95 Cb -0.03 -1.26 0.01 0.00 0.00 0.00 0.00 36.38 35.10 1j5h s VAL 95 CO -0.04 0.41 0.54 -0.83 0.00 0.00 0.00 175.10 175.18 1j5h s GLY 96 N 0.98 0.69 0.17 4.51 0.00 -1.25 -4.40 107.32 108.02 1j5h s GLY 96 Ca -0.08 -0.97 -0.18 0.00 0.00 0.00 0.00 44.72 43.49 1j5h s GLY 96 CO -0.01 -0.63 0.65 0.48 0.00 0.00 0.00 173.10 173.59 1j5h s LEU 97 N -3.07 4.39 -0.05 0.66 -0.00 -1.26 -1.43 118.68 117.92 1j5h s LEU 97 Ca 0.23 1.31 0.02 0.00 -0.00 0.00 0.00 54.13 55.68 1j5h s LEU 97 Cb -0.02 -3.35 0.01 0.00 -0.00 0.00 0.00 46.19 42.84 1j5h s LEU 97 CO 0.12 0.11 -0.09 -0.94 -0.00 0.00 0.00 176.35 175.54 1j5h s SER 98 N -1.54 1.44 0.47 1.48 1.04 0.26 -4.76 113.70 112.09 1j5h s SER 98 Ca 0.38 -0.23 0.06 0.00 0.48 0.00 0.00 55.95 56.65 1j5h s SER 98 Cb -0.17 -0.65 0.03 0.00 0.10 0.00 0.00 66.02 65.33 1j5h s SER 98 CO 0.20 0.01 0.65 1.51 0.98 0.00 0.00 173.24 176.60 1j5h s ASP 99 N 0.69 5.48 -0.00 7.02 1.47 -1.26 -0.60 116.67 129.46 1j5h s ASP 99 Ca -0.13 -0.35 0.05 0.00 1.18 0.00 0.00 52.55 53.31 1j5h s ASP 99 Cb -0.15 -0.62 0.16 0.00 -0.34 0.00 0.00 42.92 41.98 1j5h s ASP 99 CO 0.02 -0.94 1.11 0.00 0.68 0.00 0.00 175.17 176.05 1j5h n ALA 100 N -2.04 2.49 0.00 2.11 0.00 -1.26 -1.73 120.51 120.08 1j5h n ALA 100 Ca 0.09 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1j5h n ALA 100 Cb 0.59 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.06 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 0.04 2.15 -0.06 0.00 0.00 -1.26 -4.89 120.51 116.48 1j5h n ALA 101 Ca 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.44 1j5h n ALA 101 Cb 0.17 0.31 -0.04 0.00 0.00 0.00 0.00 19.45 19.89 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 -3.49 103.07 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 -4.67 0.00 0.00 0.19 0.23 -0.71 -4.88 115.26 105.42 1j5h n ASN 103 Ca -0.07 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.98 1j5h n ASN 103 Cb 0.22 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.92 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 0.00 -0.84 3.65 4.83 0.00 -1.26 -4.77 105.19 106.80 1j5h n GLY 104 Ca 0.00 -1.24 -0.43 0.00 0.00 0.00 0.00 46.02 44.35 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 4.15 0.00 1.61 0.04 -1.26 -4.98 135.00 134.56 1j5h s PRO 105 Ca 0.00 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.63 1j5h s PRO 105 Cb 0.00 -3.81 0.00 0.00 0.04 0.00 0.00 34.50 30.73 1j5h s PRO 105 CO 0.00 -0.82 0.00 0.39 0.04 0.00 0.00 177.00 176.61 1j5h n GLU 106 N 6.82 0.00 -2.83 4.56 4.71 -1.26 -5.12 120.64 127.52 1j5h n GLU 106 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.29 1j5h n GLU 106 Cb 0.45 -0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.88 1j5h n GLU 106 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1j5h n GLY 107 N 3.66 -0.49 2.32 0.62 0.00 -1.26 -5.02 105.19 105.01 1j5h n GLY 107 Ca 0.00 -1.01 -0.02 0.00 0.00 0.00 0.00 46.02 44.99 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 8.80 -6.68 -2.33 1.61 0.31 -1.26 -2.37 118.33 116.41 1j5h n VAL 108 Ca 0.00 0.19 -0.43 0.00 -0.01 0.00 0.00 64.34 64.09 1j5h n VAL 108 Cb 0.00 -5.66 -0.02 0.00 -0.91 0.00 0.00 33.84 27.25 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 -2.44 3.09 0.06 3.52 0.00 -1.26 -1.77 121.76 122.96 1j5h s ALA 109 Ca 0.07 -0.08 0.07 0.00 0.00 0.00 0.00 51.96 52.02 1j5h s ALA 109 Cb -0.02 -3.92 -0.04 0.00 0.00 0.00 0.00 23.12 19.14 1j5h s ALA 109 CO 0.43 -2.31 -0.13 0.42 0.00 0.00 0.00 175.76 174.17 1j5h s ILE 110 N 5.36 3.16 -0.28 0.00 1.01 -0.68 -4.88 121.20 124.89 1j5h s ILE 110 Ca 0.62 -1.17 -0.23 0.00 0.00 0.00 0.00 60.65 59.87 1j5h s ILE 110 Cb -0.15 -2.41 -0.00 0.00 0.01 0.00 0.00 42.46 39.91 1j5h s ILE 110 CO 0.31 0.25 0.76 -0.55 0.00 0.00 0.00 174.94 175.70 1j5h s SER 111 N -1.77 6.67 -0.16 3.58 0.15 -0.85 -4.03 113.70 117.28 1j5h s SER 111 Ca 0.18 0.74 0.14 0.00 0.70 0.00 0.00 55.95 57.70 1j5h s SER 111 Cb -0.11 -2.39 0.69 0.00 -1.71 0.00 0.00 66.02 62.50 1j5h s SER 111 CO 0.09 -0.54 1.57 0.49 1.20 0.00 0.00 173.24 176.05 1j5h n PHE 112 N 6.04 1.62 0.00 3.44 3.01 -1.26 -1.05 117.46 129.26 1j5h n PHE 112 Ca 0.03 -0.59 0.00 0.00 1.01 0.00 0.00 57.45 57.90 1j5h n PHE 112 Cb 0.48 -0.36 0.00 0.00 -0.01 0.00 0.00 39.48 39.59 1j5h n PHE 112 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06