#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 -1.39 0.00 0.00 -1.26 -5.03 120.51 112.83 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 -0.35 0.00 0.00 0.00 177.50 177.15 1j5h n PRO 3 N 0.00 2.17 -3.54 0.00 -0.04 -1.24 -4.40 135.00 127.95 1j5h n PRO 3 Ca 0.00 -2.17 -0.15 0.00 -0.04 0.00 0.00 63.50 61.15 1j5h n PRO 3 Cb 0.00 -3.06 -0.05 0.00 -0.04 0.00 0.00 33.50 30.35 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 4.08 0.00 0.40 0.52 -4.23 0.35 -4.08 115.64 112.68 1j5h s THR 4 Ca 0.53 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 61.11 1j5h s THR 4 Cb 0.14 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.98 1j5h s THR 4 CO 0.02 0.00 0.53 0.00 -0.54 0.00 0.00 174.62 174.63 1j5h s ALA 5 N -1.36 4.42 0.09 3.99 0.00 -1.26 0.61 121.76 128.24 1j5h s ALA 5 Ca -0.06 -1.63 -0.15 0.00 0.00 0.00 0.00 51.96 50.12 1j5h s ALA 5 Cb -0.00 -1.59 0.03 0.00 0.00 0.00 0.00 23.12 21.55 1j5h s ALA 5 CO 0.05 -0.21 0.35 0.95 0.00 0.00 0.00 175.76 176.90 1j5h s THR 6 N -2.31 0.08 -0.28 0.00 -4.23 0.01 -4.73 115.64 104.18 1j5h s THR 6 Ca 0.52 -0.67 -0.11 0.00 -1.18 0.00 0.00 61.69 60.25 1j5h s THR 6 Cb -0.09 -1.11 -0.05 0.00 1.34 0.00 0.00 72.50 72.59 1j5h s THR 6 CO 0.32 -0.37 0.19 -0.69 -0.54 0.00 0.00 174.62 173.54 1j5h s VAL 7 N -3.29 5.31 0.06 2.29 1.01 -1.26 -1.47 120.40 123.04 1j5h s VAL 7 Ca 0.00 0.15 -0.12 0.00 0.00 0.00 0.00 61.98 62.01 1j5h s VAL 7 Cb 0.01 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 1j5h s VAL 7 CO -0.08 0.24 0.59 0.41 0.00 0.00 0.00 175.10 176.26 1j5h n THR 8 N 5.06 -0.26 0.00 3.92 -1.04 -0.51 -3.21 114.28 118.25 1j5h n THR 8 Ca -0.14 0.93 0.00 0.00 -2.04 0.00 0.00 64.05 62.80 1j5h n THR 8 Cb 0.52 -1.15 0.00 0.00 -1.82 0.00 0.00 70.33 67.88 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 -4.42 0.00 -0.71 -2.82 -0.04 -1.26 -4.98 135.00 120.76 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 0.10 -0.10 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 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 0.00 -1.11 -3.61 3.54 3.41 -1.20 -5.03 113.62 109.62 1j5h n SER 10 Ca 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.57 1j5h n SER 10 Cb 0.00 -0.25 -0.03 0.00 -0.26 0.00 0.00 64.21 63.67 1j5h n SER 10 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1j5h s SER 11 N -2.51 -0.11 -1.55 4.04 1.04 -1.26 -1.58 113.70 111.77 1j5h s SER 11 Ca 0.00 0.03 -0.13 0.00 0.48 0.00 0.00 55.95 56.33 1j5h s SER 11 Cb 0.00 0.11 0.09 0.00 0.10 0.00 0.00 66.02 66.33 1j5h s SER 11 CO 0.00 -0.17 0.87 0.61 0.98 0.00 0.00 173.24 175.52 1j5h n GLY 12 N 0.06 -0.44 0.00 7.32 0.00 -0.84 -4.83 105.19 106.46 1j5h n GLY 12 Ca 0.01 0.17 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 -4.55 0.00 -3.54 0.99 4.77 -0.77 -4.98 117.00 108.92 1j5h n LEU 13 Ca -0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.88 1j5h n LEU 13 Cb 0.54 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.61 1j5h n LEU 13 CO 0.78 0.00 0.52 -0.55 -1.33 0.00 0.00 177.39 176.81 1j5h s SER 14 N -1.00 -0.43 -0.59 -1.43 0.15 -1.26 -4.51 113.70 104.63 1j5h s SER 14 Ca 0.00 -0.13 -0.26 0.00 0.70 0.00 0.00 55.95 56.26 1j5h s SER 14 Cb 0.00 0.55 -0.10 0.00 -1.71 0.00 0.00 66.02 64.76 1j5h s SER 14 CO 0.00 -0.93 2.45 -0.90 1.20 0.00 0.00 173.24 175.06 1j5h n ASP 15 N -0.36 1.96 -0.14 5.45 5.68 -1.26 -0.39 116.55 127.48 1j5h n ASP 15 Ca -0.12 -0.55 0.00 0.00 -0.50 0.00 0.00 54.79 53.62 1j5h n ASP 15 Cb 0.63 -1.50 0.00 0.00 -1.14 0.00 0.00 41.12 39.11 1j5h n ASP 15 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1j5h n GLY 16 N 6.15 1.03 3.55 6.12 0.00 -0.21 -4.60 105.19 117.23 1j5h n GLY 16 Ca 0.42 -0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.27 3.96 -0.90 2.61 2.01 0.47 -4.58 115.64 116.94 1j5h s THR 17 Ca 0.00 -0.67 -0.24 0.00 0.31 0.00 0.00 61.69 61.08 1j5h s THR 17 Cb 0.00 -5.02 -0.03 0.00 0.01 0.00 0.00 72.50 67.46 1j5h s THR 17 CO 0.00 -1.89 1.87 -0.69 -0.69 0.00 0.00 174.62 173.21 1j5h s VAL 18 N 4.90 3.51 0.45 3.82 1.01 -1.25 -1.67 120.40 131.17 1j5h s VAL 18 Ca 0.43 -0.38 0.07 0.00 0.00 0.00 0.00 61.98 62.11 1j5h s VAL 18 Cb -0.02 -4.15 -0.01 0.00 0.00 0.00 0.00 36.38 32.20 1j5h s VAL 18 CO -0.07 -1.09 0.36 0.68 0.00 0.00 0.00 175.10 174.99 1j5h s VAL 19 N 9.29 2.34 0.32 2.92 -7.23 -0.55 -4.82 120.40 122.67 1j5h s VAL 19 Ca 0.66 -1.43 -0.27 0.00 -1.81 0.00 0.00 61.98 59.13 1j5h s VAL 19 Cb -0.06 -2.77 -0.09 0.00 0.56 0.00 0.00 36.38 34.01 1j5h s VAL 19 CO -0.01 0.00 1.02 -0.54 -0.31 0.00 0.00 175.10 175.26 1j5h s LYS 20 N -4.14 4.51 -0.01 4.82 1.02 -1.26 0.10 119.74 124.78 1j5h s LYS 20 Ca 0.44 1.53 0.01 0.00 0.02 0.00 0.00 55.97 57.97 1j5h s LYS 20 Cb -0.02 -2.89 0.00 0.00 -0.52 0.00 0.00 37.83 34.40 1j5h s LYS 20 CO 0.26 0.17 -0.03 0.08 -0.92 0.00 0.00 175.35 174.90 1j5h s VAL 21 N -1.45 0.29 0.06 3.17 1.01 0.34 -1.42 120.40 122.40 1j5h s VAL 21 Ca 0.50 -0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.35 1j5h s VAL 21 Cb -0.24 -0.26 -0.04 0.00 0.00 0.00 0.00 36.38 35.84 1j5h s VAL 21 CO 0.31 0.09 -0.05 0.00 0.00 0.00 0.00 175.10 175.45 1j5h s ALA 22 N 0.05 0.64 0.00 5.51 0.00 -0.54 -0.20 121.76 127.22 1j5h s ALA 22 Ca -0.00 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 50.85 1j5h s ALA 22 Cb -0.03 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.27 1j5h s ALA 22 CO -0.00 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 175.93 1j5h n GLY 23 N 0.46 -3.91 0.00 0.00 0.00 0.92 -0.81 105.19 101.85 1j5h n GLY 23 Ca -0.16 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.72 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 0.81 0.00 0.17 4.61 0.00 0.20 -1.40 120.51 124.90 1j5h n ALA 24 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1j5h n ALA 24 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.53 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 -0.15 3.70 0.00 0.00 -1.26 0.13 105.19 107.61 1j5h n GLY 25 Ca 0.00 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.06 -2.66 0.00 0.99 7.94 -1.08 -4.60 117.00 116.52 1j5h n LEU 26 Ca 0.02 -0.96 0.00 0.00 -1.11 0.00 0.00 56.01 53.96 1j5h n LEU 26 Cb 0.01 -2.24 0.00 0.00 0.53 0.00 0.00 43.42 41.73 1j5h n LEU 26 CO 0.02 0.36 0.00 0.00 -1.11 0.00 0.00 177.39 176.66 1j5h n GLN 27 N -3.84 0.00 0.00 1.96 1.13 0.14 -4.51 117.38 112.25 1j5h n GLN 27 Ca -0.12 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.94 1j5h n GLN 27 Cb 0.59 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.94 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 -1.17 -1.58 0.00 -1.26 -3.34 120.51 110.15 1j5h n ALA 28 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1j5h n ALA 28 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 0.73 3.79 0.00 0.00 -1.24 -4.90 105.19 103.57 1j5h n GLY 29 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.60 2.91 0.26 2.61 2.01 -1.26 -4.34 115.64 116.23 1j5h s THR 30 Ca 0.00 0.30 -0.17 0.00 0.31 0.00 0.00 61.69 62.12 1j5h s THR 30 Cb 0.00 -3.01 -0.08 0.00 0.01 0.00 0.00 72.50 69.42 1j5h s THR 30 CO 0.00 -0.39 0.72 0.00 -0.69 0.00 0.00 174.62 174.26 1j5h s ALA 31 N -3.14 3.38 -0.42 7.40 0.00 -1.26 -0.57 121.76 127.16 1j5h s ALA 31 Ca 0.61 0.09 0.05 0.00 0.00 0.00 0.00 51.96 52.72 1j5h s ALA 31 Cb -0.15 -2.78 0.19 0.00 0.00 0.00 0.00 23.12 20.38 1j5h s ALA 31 CO 0.54 0.34 0.44 0.66 0.00 0.00 0.00 175.76 177.75 1j5h n TYR 32 N 0.24 -1.28 -1.68 0.00 4.01 0.13 -4.72 117.16 113.87 1j5h n TYR 32 Ca 0.00 -3.06 -0.53 0.00 -0.16 0.00 0.00 57.90 54.16 1j5h n TYR 32 Cb 0.52 0.35 -0.06 0.00 -0.31 0.00 0.00 39.34 39.84 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 2.53 2.63 -4.75 7.72 2.03 0.49 -1.79 116.55 125.40 1j5h n ASP 33 Ca 0.26 1.05 -0.36 0.00 0.52 0.00 0.00 54.79 56.26 1j5h n ASP 33 Cb 0.51 -1.24 0.03 0.00 -0.72 0.00 0.00 41.12 39.70 1j5h n ASP 33 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1j5h s VAL 34 N 2.97 2.62 -0.01 5.18 1.01 0.27 0.81 120.40 133.25 1j5h s VAL 34 Ca 0.93 0.39 -0.04 0.00 0.00 0.00 0.00 61.98 63.26 1j5h s VAL 34 Cb -0.91 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 32.30 1j5h s VAL 34 CO 0.56 -0.07 0.08 -0.83 0.00 0.00 0.00 175.10 174.84 1j5h s GLY 35 N -1.53 0.03 -0.18 4.51 0.00 0.00 -4.29 107.32 105.86 1j5h s GLY 35 Ca 0.76 -0.04 -0.01 0.00 0.00 0.00 0.00 44.72 45.43 1j5h s GLY 35 CO 0.34 -0.12 -0.03 1.20 0.00 0.00 0.00 173.10 174.49 1j5h s GLN 36 N -0.73 1.24 0.35 2.90 -0.21 -1.23 -1.40 119.66 120.57 1j5h s GLN 36 Ca -0.08 -0.53 0.05 0.00 0.02 0.00 0.00 55.36 54.82 1j5h s GLN 36 Cb -0.05 -2.05 -0.07 0.00 1.00 0.00 0.00 33.01 31.84 1j5h s GLN 36 CO 0.00 -0.50 0.02 0.00 -2.12 0.00 0.00 175.29 172.70 1j5h s ALA 38 N -3.05 0.45 -0.20 0.00 0.00 0.10 0.72 121.76 119.79 1j5h s ALA 38 Ca 0.35 -0.65 -0.29 0.00 0.00 0.00 0.00 51.96 51.37 1j5h s ALA 38 Cb 0.08 -1.24 -0.00 0.00 0.00 0.00 0.00 23.12 21.96 1j5h s ALA 38 CO 0.16 -1.42 1.15 1.67 0.00 0.00 0.00 175.76 177.32 1j5h s TRP 39 N 2.14 3.08 -0.08 0.00 1.48 -1.26 0.01 118.94 124.31 1j5h s TRP 39 Ca 0.06 1.23 0.10 0.00 -1.06 0.00 0.00 56.10 56.42 1j5h s TRP 39 Cb -0.16 -3.40 -0.14 0.00 -1.16 0.00 0.00 33.47 28.61 1j5h s TRP 39 CO -0.23 -1.11 0.09 0.28 -4.06 0.00 0.00 176.95 171.92 1j5h n VAL 40 N 5.37 0.52 -3.67 -0.66 0.31 0.19 -4.86 118.33 115.53 1j5h n VAL 40 Ca 0.13 -0.38 0.03 0.00 -0.01 0.00 0.00 64.34 64.11 1j5h n VAL 40 Cb 0.45 -0.47 0.00 0.00 -0.91 0.00 0.00 33.84 32.91 1j5h n VAL 40 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1j5h s ASP 41 N -3.99 -0.02 -0.83 4.52 1.01 -1.21 -4.92 116.67 111.23 1j5h s ASP 41 Ca -0.05 -0.08 -0.22 0.00 0.71 0.00 0.00 52.55 52.91 1j5h s ASP 41 Cb 0.04 0.08 -0.19 0.00 1.01 0.00 0.00 42.92 43.87 1j5h s ASP 41 CO 0.43 -0.15 2.36 0.41 0.21 0.00 0.00 175.17 178.43 1j5h n THR 42 N -0.59 -0.01 0.00 -1.27 -1.04 -1.26 0.18 114.28 110.29 1j5h n THR 42 Ca -0.06 -0.51 0.00 0.00 -2.04 0.00 0.00 64.05 61.44 1j5h n THR 42 Cb 0.62 -1.54 0.00 0.00 -1.82 0.00 0.00 70.33 67.60 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 6.44 0.29 2.26 3.41 0.00 -1.26 -4.94 105.19 111.40 1j5h n GLY 43 Ca 0.52 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.77 3.51 -3.42 1.61 0.31 0.47 -4.65 118.33 114.39 1j5h n VAL 44 Ca 0.00 -2.73 -0.42 0.00 -0.01 0.00 0.00 64.34 61.17 1j5h n VAL 44 Cb 0.00 -1.18 -0.10 0.00 -0.91 0.00 0.00 33.84 31.65 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 -3.53 4.85 -0.67 7.52 0.20 -1.24 -0.64 118.68 125.18 1j5h s LEU 45 Ca 0.60 -0.66 -0.23 0.00 0.69 0.00 0.00 54.13 54.52 1j5h s LEU 45 Cb 0.47 -2.26 0.06 0.00 -0.43 0.00 0.00 46.19 44.04 1j5h s LEU 45 CO -0.01 -0.45 1.02 0.00 -0.29 0.00 0.00 176.35 176.63 1j5h s ALA 46 N 1.88 3.05 0.30 5.97 0.00 0.10 -3.86 121.76 129.20 1j5h s ALA 46 Ca 0.08 -1.75 -0.23 0.00 0.00 0.00 0.00 51.96 50.06 1j5h s ALA 46 Cb -0.18 -3.93 -0.09 0.00 0.00 0.00 0.00 23.12 18.91 1j5h s ALA 46 CO 0.11 -2.87 0.86 0.00 0.00 0.00 0.00 175.76 173.86 1j5h s ASN 48 N -1.74 5.32 0.00 0.00 2.47 0.60 -1.46 114.94 120.13 1j5h s ASN 48 Ca 0.49 -3.80 0.00 0.00 0.42 0.00 0.00 52.86 49.98 1j5h s ASN 48 Cb -0.16 -1.75 0.00 0.00 -1.45 0.00 0.00 41.25 37.89 1j5h s ASN 48 CO 0.21 -0.13 0.62 -0.81 -3.72 0.00 0.00 177.10 173.27 1j5h n PRO 49 N 2.13 0.75 -0.01 0.43 -0.04 -1.26 -2.25 135.00 134.75 1j5h n PRO 49 Ca 0.20 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.70 1j5h n PRO 49 Cb 0.36 -1.21 0.03 0.00 -0.04 0.00 0.00 33.50 32.64 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 0.45 2.47 -0.30 0.55 0.00 -1.26 -4.62 120.51 117.80 1j5h n ALA 50 Ca 0.00 -0.58 0.12 0.00 0.00 0.00 0.00 53.44 52.98 1j5h n ALA 50 Cb 0.31 -0.23 0.29 0.00 0.00 0.00 0.00 19.45 19.81 1j5h n ALA 50 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1j5h h ASP 51 N 1.35 0.34 0.00 0.00 1.82 -1.71 -3.43 116.42 114.78 1j5h h ASP 51 Ca 0.00 0.14 0.00 0.00 -0.39 0.00 0.00 57.03 56.78 1j5h h ASP 51 Cb 0.30 0.12 0.00 0.00 0.68 0.00 0.00 39.33 40.43 1j5h h ASP 51 CO 0.00 0.03 0.00 0.49 -1.61 0.00 0.00 179.24 178.15 1j5h n PHE 52 N -5.03 0.00 -0.92 0.28 3.72 -1.26 -4.90 117.46 109.35 1j5h n PHE 52 Ca 0.21 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.31 1j5h n PHE 52 Cb 0.61 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.16 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 1.48 -2.96 -3.73 4.37 7.64 -1.26 -4.57 113.62 114.59 1j5h n SER 53 Ca 0.00 0.46 -0.13 0.00 1.01 0.00 0.00 58.87 60.21 1j5h n SER 53 Cb 0.00 -0.64 -0.10 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 -0.76 -0.43 0.11 6.43 0.15 -1.26 0.97 113.70 118.91 1j5h s SER 54 Ca 0.42 0.81 0.09 0.00 0.70 0.00 0.00 55.95 57.97 1j5h s SER 54 Cb -0.35 0.80 -0.04 0.00 -1.71 0.00 0.00 66.02 64.72 1j5h s SER 54 CO 0.51 -0.15 -0.23 0.54 1.20 0.00 0.00 173.24 175.11 1j5h s VAL 55 N 0.39 1.94 0.06 4.45 0.11 -0.74 -4.84 120.40 121.77 1j5h s VAL 55 Ca -0.01 -1.59 0.03 0.00 -2.93 0.00 0.00 61.98 57.47 1j5h s VAL 55 Cb -0.04 -1.73 -0.04 0.00 -1.53 0.00 0.00 36.38 33.05 1j5h s VAL 55 CO -0.01 0.03 0.05 -0.89 -3.33 0.00 0.00 175.10 170.95 1j5h s THR 56 N -1.08 4.40 0.89 5.04 2.01 -1.26 0.21 115.64 125.85 1j5h s THR 56 Ca 0.10 -0.75 -0.13 0.00 0.31 0.00 0.00 61.69 61.22 1j5h s THR 56 Cb -0.10 -3.08 0.13 0.00 0.01 0.00 0.00 72.50 69.45 1j5h s THR 56 CO 0.05 0.18 1.17 0.00 -0.69 0.00 0.00 174.62 175.33 1j5h s ALA 57 N -1.31 2.11 -0.09 7.40 0.00 0.27 -2.34 121.76 127.80 1j5h s ALA 57 Ca 0.27 -0.66 -0.01 0.00 0.00 0.00 0.00 51.96 51.56 1j5h s ALA 57 Cb -0.12 -2.97 0.03 0.00 0.00 0.00 0.00 23.12 20.05 1j5h s ALA 57 CO 0.19 -2.12 -0.05 0.16 0.00 0.00 0.00 175.76 173.94 1j5h s ASP 58 N -4.32 1.85 0.00 0.00 1.47 0.28 -3.66 116.67 112.28 1j5h s ASP 58 Ca 0.64 -0.20 0.00 0.00 1.18 0.00 0.00 52.55 54.17 1j5h s ASP 58 Cb -0.12 -0.66 0.00 0.00 -0.34 0.00 0.00 42.92 41.80 1j5h s ASP 58 CO 0.52 -0.14 0.00 0.00 0.68 0.00 0.00 175.17 176.23 1j5h n ALA 59 N 4.92 0.00 -0.29 2.11 0.00 -1.26 0.17 120.51 126.16 1j5h n ALA 59 Ca -0.12 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.49 1j5h n ALA 59 Cb 0.50 0.00 0.32 0.00 0.00 0.00 0.00 19.45 20.27 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 0.50 0.01 0.00 0.00 2.85 -1.26 -4.10 115.26 113.26 1j5h n ASN 60 Ca 0.00 1.43 0.00 0.00 -0.11 0.00 0.00 54.58 55.90 1j5h n ASN 60 Cb 0.00 -0.57 0.00 0.00 1.24 0.00 0.00 39.78 40.45 1j5h n ASN 60 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1j5h n GLY 61 N -1.37 0.35 3.74 8.20 0.00 0.45 -4.13 105.19 112.42 1j5h n GLY 61 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 1j5h n GLY 61 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j5h s SER 62 N -0.06 7.36 0.59 1.61 0.01 -1.20 -0.69 113.70 121.32 1j5h s SER 62 Ca 0.00 2.00 -0.14 0.00 1.31 0.00 0.00 55.95 59.12 1j5h s SER 62 Cb 0.00 -2.60 -0.05 0.00 0.21 0.00 0.00 66.02 63.58 1j5h s SER 62 CO 0.00 -0.15 1.02 0.00 0.41 0.00 0.00 173.24 174.52 1j5h s ALA 63 N -0.25 2.97 -0.27 1.44 0.00 -0.49 0.99 121.76 126.15 1j5h s ALA 63 Ca 0.48 0.11 -0.02 0.00 0.00 0.00 0.00 51.96 52.53 1j5h s ALA 63 Cb -0.27 -3.13 0.16 0.00 0.00 0.00 0.00 23.12 19.87 1j5h s ALA 63 CO 0.33 -0.62 0.50 -1.54 0.00 0.00 0.00 175.76 174.44 1j5h s SER 64 N -3.49 -0.63 -0.16 0.00 1.04 -0.99 -0.06 113.70 109.41 1j5h s SER 64 Ca 0.58 0.62 -0.35 0.00 0.48 0.00 0.00 55.95 57.28 1j5h s SER 64 Cb -0.12 1.68 0.15 0.00 0.10 0.00 0.00 66.02 67.84 1j5h s SER 64 CO 0.43 -0.27 1.43 0.28 0.98 0.00 0.00 173.24 176.09 1j5h s THR 65 N 2.71 0.00 -0.12 2.02 -1.32 0.71 -4.57 115.64 115.08 1j5h s THR 65 Ca 0.16 -0.00 -0.21 0.00 -1.21 0.00 0.00 61.69 60.42 1j5h s THR 65 Cb -0.15 -1.67 -0.03 0.00 -1.51 0.00 0.00 72.50 69.13 1j5h s THR 65 CO -0.18 0.00 0.62 -0.94 -2.21 0.00 0.00 174.62 171.91 1j5h s SER 66 N -2.67 6.81 0.01 8.08 1.04 -1.26 0.13 113.70 125.84 1j5h s SER 66 Ca 0.14 0.98 0.03 0.00 0.48 0.00 0.00 55.95 57.58 1j5h s SER 66 Cb 0.05 -2.36 -0.03 0.00 0.10 0.00 0.00 66.02 63.78 1j5h s SER 66 CO -0.05 -0.14 -0.05 -0.76 0.98 0.00 0.00 173.24 173.22 1j5h s LEU 67 N 1.12 3.26 -0.70 2.42 1.02 0.12 -4.87 118.68 121.04 1j5h s LEU 67 Ca 0.32 -0.13 -0.24 0.00 0.02 0.00 0.00 54.13 54.10 1j5h s LEU 67 Cb -0.16 -1.88 0.06 0.00 0.02 0.00 0.00 46.19 44.22 1j5h s LEU 67 CO 0.13 0.27 1.10 0.28 0.02 0.00 0.00 176.35 178.16 1j5h s THR 68 N -1.04 4.08 -0.97 5.49 -1.32 -1.26 -1.48 115.64 119.14 1j5h s THR 68 Ca 0.18 -0.09 -0.11 0.00 -1.21 0.00 0.00 61.69 60.47 1j5h s THR 68 Cb -0.11 -4.79 -0.08 0.00 -1.51 0.00 0.00 72.50 66.01 1j5h s THR 68 CO 0.09 -1.63 2.13 0.52 -2.21 0.00 0.00 174.62 173.53 1j5h n VAL 69 N 6.11 2.48 -1.88 5.08 0.31 -0.67 -4.75 118.33 125.02 1j5h n VAL 69 Ca -0.00 -1.68 -0.42 0.00 -0.01 0.00 0.00 64.34 62.23 1j5h n VAL 69 Cb 0.47 -2.26 -0.03 0.00 -0.91 0.00 0.00 33.84 31.11 1j5h n VAL 69 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1j5h s ARG 70 N 3.74 4.19 0.00 5.55 1.70 -1.26 -1.04 118.95 131.83 1j5h s ARG 70 Ca 0.47 2.43 0.00 0.00 -0.47 0.00 0.00 55.73 58.16 1j5h s ARG 70 Cb 0.12 -3.16 0.00 0.00 -0.57 0.00 0.00 34.95 31.34 1j5h s ARG 70 CO 0.00 -0.65 0.00 -2.13 -1.08 0.00 0.00 175.30 171.44 1j5h n ARG 71 N 4.07 0.00 -2.08 3.89 0.00 -1.26 -4.63 116.66 116.65 1j5h n ARG 71 Ca 0.15 0.20 -0.35 0.00 -0.00 0.00 0.00 57.85 57.84 1j5h n ARG 71 Cb 0.38 -0.64 -0.04 0.00 0.00 0.00 0.00 32.46 32.16 1j5h n ARG 71 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1j5h s SER 72 N -2.85 5.31 0.06 6.15 1.04 -1.26 -1.44 113.70 120.70 1j5h s SER 72 Ca 0.00 -0.04 0.01 0.00 0.48 0.00 0.00 55.95 56.39 1j5h s SER 72 Cb 0.00 -2.54 -0.03 0.00 0.10 0.00 0.00 66.02 63.54 1j5h s SER 72 CO 0.00 -2.44 -0.05 0.72 0.98 0.00 0.00 173.24 172.45 1j5h s PHE 73 N 9.11 0.61 -0.65 5.02 -0.71 -0.45 -4.87 117.98 126.03 1j5h s PHE 73 Ca 0.66 -0.83 -0.20 0.00 -1.04 0.00 0.00 56.93 55.52 1j5h s PHE 73 Cb -0.10 -0.39 0.10 0.00 -1.21 0.00 0.00 43.02 41.41 1j5h s PHE 73 CO 0.13 -0.23 0.83 -1.21 -1.34 0.00 0.00 175.22 173.41 1j5h s GLU 74 N -3.06 3.14 0.11 1.99 8.01 -1.26 -1.38 118.70 126.24 1j5h s GLU 74 Ca 0.01 -1.24 -0.02 0.00 0.01 0.00 0.00 54.97 53.73 1j5h s GLU 74 Cb 0.01 -4.32 -0.05 0.00 -4.31 0.00 0.00 34.13 25.46 1j5h s GLU 74 CO -0.05 -1.65 0.29 0.20 0.01 0.00 0.00 175.26 174.06 1j5h s GLY 75 N 3.60 2.17 -0.05 -1.39 0.00 -1.26 -4.75 107.32 105.63 1j5h s GLY 75 Ca 0.17 -0.73 0.06 0.00 0.00 0.00 0.00 44.72 44.22 1j5h s GLY 75 CO 0.05 -0.68 -0.24 -1.36 0.00 0.00 0.00 173.10 170.88 1j5h s PHE 76 N -1.60 2.46 0.14 1.90 0.40 -0.54 -0.13 117.98 120.61 1j5h s PHE 76 Ca 0.38 -0.62 -0.19 0.00 -0.60 0.00 0.00 56.93 55.90 1j5h s PHE 76 Cb -0.12 -1.60 -0.00 0.00 0.51 0.00 0.00 43.02 41.81 1j5h s PHE 76 CO 0.27 -0.15 1.70 -0.07 0.70 0.00 0.00 175.22 177.67 1j5h h LEU 77 N 5.93 -0.18 0.14 -0.37 4.07 -1.10 0.13 115.31 123.92 1j5h h LEU 77 Ca -0.35 0.07 -0.06 0.00 0.08 0.00 0.00 57.88 57.62 1j5h h LEU 77 Cb 1.17 0.13 -0.02 0.00 1.08 0.00 0.00 40.66 43.01 1j5h h LEU 77 CO 0.48 -0.06 -0.05 0.33 -1.08 0.00 0.00 178.44 178.06 1j5h n PHE 78 N -5.20 0.00 -2.03 1.13 7.35 -1.11 -4.54 117.46 113.06 1j5h n PHE 78 Ca -0.01 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.67 1j5h n PHE 78 Cb 0.14 -0.90 -0.01 0.00 0.35 0.00 0.00 39.48 39.06 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 0.53 -0.07 0.00 -2.13 -0.08 -1.26 -4.99 116.55 108.54 1j5h n ASP 79 Ca -0.03 -1.44 0.00 0.00 -1.51 0.00 0.00 54.79 51.82 1j5h n ASP 79 Cb 0.15 -0.03 0.00 0.00 2.34 0.00 0.00 41.12 43.58 1j5h n ASP 79 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1j5h n GLY 80 N 0.03 -1.92 0.00 0.27 0.00 -1.26 -5.06 105.19 97.24 1j5h n GLY 80 Ca -0.03 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.62 1j5h n GLY 80 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1j5h n THR 81 N 0.00 0.00 -3.98 2.61 -1.04 -1.26 -5.06 114.28 105.55 1j5h n THR 81 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.92 1j5h n THR 81 Cb 0.00 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.40 1j5h n THR 81 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1j5h s ARG 82 N 2.64 0.34 -0.03 -2.82 1.70 -1.26 -0.84 118.95 118.69 1j5h s ARG 82 Ca 0.00 -0.64 -0.01 0.00 -0.47 0.00 0.00 55.73 54.60 1j5h s ARG 82 Cb 0.00 0.12 -0.01 0.00 -0.57 0.00 0.00 34.95 34.50 1j5h s ARG 82 CO 0.00 -0.06 0.14 -1.49 -1.08 0.00 0.00 175.30 172.81 1j5h h TRP 83 N 4.51 -0.05 -0.19 5.89 4.06 -0.87 -3.46 115.95 125.84 1j5h h TRP 83 Ca -0.32 -0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.63 1j5h h TRP 83 Cb 1.20 0.02 0.00 0.00 -1.00 0.00 0.00 29.16 29.38 1j5h h TRP 83 CO 0.65 -0.03 0.00 0.41 -3.56 0.00 0.00 178.44 175.90 1j5h n GLY 84 N 1.55 -1.43 1.40 1.49 0.00 -1.09 -4.87 105.19 102.26 1j5h n GLY 84 Ca -0.01 -1.08 -0.06 0.00 0.00 0.00 0.00 46.02 44.87 1j5h n GLY 84 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1j5h n THR 85 N 0.99 -0.68 -4.22 2.61 -1.04 -1.26 -4.83 114.28 105.85 1j5h n THR 85 Ca 0.00 0.03 -0.20 0.00 -2.04 0.00 0.00 64.05 61.84 1j5h n THR 85 Cb 0.00 -0.66 -0.12 0.00 -1.82 0.00 0.00 70.33 67.73 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 -0.26 1.34 -0.27 12.58 0.11 -0.48 -4.93 120.40 128.49 1j5h s VAL 86 Ca 0.06 -1.45 -0.28 0.00 -2.93 0.00 0.00 61.98 57.38 1j5h s VAL 86 Cb -0.01 -1.30 0.01 0.00 -1.53 0.00 0.00 36.38 33.55 1j5h s VAL 86 CO 0.14 -0.20 1.02 1.51 -3.33 0.00 0.00 175.10 174.23 1j5h s ASP 87 N -1.91 6.97 0.20 3.54 3.84 -1.26 -1.34 116.67 126.72 1j5h s ASP 87 Ca 0.02 1.16 -0.08 0.00 -0.00 0.00 0.00 52.55 53.65 1j5h s ASP 87 Cb -0.09 -2.52 0.13 0.00 -1.38 0.00 0.00 42.92 39.06 1j5h s ASP 87 CO 0.03 -0.74 1.74 0.00 -0.00 0.00 0.00 175.17 176.21 1j5h h THR 89 N 1.11 0.32 0.00 0.00 1.03 -1.88 2.27 112.91 115.77 1j5h h THR 89 Ca 0.24 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.64 1j5h h THR 89 Cb 0.30 0.71 0.00 0.00 -1.07 0.00 0.00 68.15 68.09 1j5h h THR 89 CO -0.01 0.00 -0.29 0.74 -0.01 0.00 0.00 175.52 175.95 1j5h h THR 90 N 0.00 0.00 0.00 0.00 2.02 -1.63 -3.27 112.91 110.03 1j5h h THR 90 Ca 0.12 -0.96 -0.02 0.00 0.77 0.00 0.00 66.41 66.32 1j5h h THR 90 Cb 0.82 1.81 -0.04 0.00 -1.74 0.00 0.00 68.15 69.00 1j5h h THR 90 CO -0.00 0.00 -0.33 0.00 0.37 0.00 0.00 175.52 175.56 1j5h n ALA 91 N -2.10 2.50 -3.73 6.16 0.00 0.36 -5.00 120.51 118.71 1j5h n ALA 91 Ca 0.03 -2.37 -0.21 0.00 0.00 0.00 0.00 53.44 50.89 1j5h n ALA 91 Cb 0.53 -0.44 -0.01 0.00 0.00 0.00 0.00 19.45 19.53 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 -0.84 -1.70 -0.68 0.00 0.00 0.68 -4.34 120.51 113.62 1j5h n ALA 92 Ca 0.12 -0.27 -0.06 0.00 0.00 0.00 0.00 53.44 53.23 1j5h n ALA 92 Cb 0.72 -0.96 0.10 0.00 0.00 0.00 0.00 19.45 19.31 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 -2.96 0.81 -0.32 0.00 0.00 0.22 -2.15 119.66 115.26 1j5h s GLN 94 Ca 0.23 -0.92 -0.02 0.00 -0.00 0.00 0.00 55.36 54.65 1j5h s GLN 94 Cb -0.04 0.33 0.11 0.00 0.00 0.00 0.00 33.01 33.40 1j5h s GLN 94 CO 0.19 -0.25 0.13 0.54 0.00 0.00 0.00 175.29 175.91 1j5h s VAL 95 N -3.66 0.53 0.50 3.63 0.11 -0.78 -1.37 120.40 119.36 1j5h s VAL 95 Ca 0.03 -1.31 0.03 0.00 -2.93 0.00 0.00 61.98 57.81 1j5h s VAL 95 Cb 0.04 -1.41 -0.00 0.00 -1.53 0.00 0.00 36.38 33.47 1j5h s VAL 95 CO -0.10 -0.74 0.15 -0.83 -3.33 0.00 0.00 175.10 170.25 1j5h s GLY 96 N 1.63 2.72 0.52 6.54 0.00 -0.49 -4.71 107.32 113.52 1j5h s GLY 96 Ca 0.11 -0.94 -0.15 0.00 0.00 0.00 0.00 44.72 43.74 1j5h s GLY 96 CO -0.25 -2.08 0.97 0.48 0.00 0.00 0.00 173.10 172.22 1j5h s LEU 97 N -4.00 3.59 -0.08 0.66 -0.00 -1.26 -0.82 118.68 116.77 1j5h s LEU 97 Ca 0.20 1.49 -0.04 0.00 -0.00 0.00 0.00 54.13 55.78 1j5h s LEU 97 Cb 0.01 -4.44 0.04 0.00 -0.00 0.00 0.00 46.19 41.80 1j5h s LEU 97 CO 0.12 -0.61 0.19 -0.44 -0.00 0.00 0.00 176.35 175.61 1j5h s SER 98 N -3.26 -0.18 0.46 1.48 0.01 0.24 -4.75 113.70 107.70 1j5h s SER 98 Ca 0.57 0.41 0.08 0.00 1.31 0.00 0.00 55.95 58.33 1j5h s SER 98 Cb -0.10 0.30 0.03 0.00 0.21 0.00 0.00 66.02 66.45 1j5h s SER 98 CO 0.35 -0.15 0.61 1.51 0.41 0.00 0.00 173.24 175.96 1j5h s ASP 99 N 1.19 5.46 -0.21 2.44 1.47 -1.26 0.19 116.67 125.94 1j5h s ASP 99 Ca -0.09 -0.57 0.01 0.00 1.18 0.00 0.00 52.55 53.08 1j5h s ASP 99 Cb -0.11 -0.39 0.24 0.00 -0.34 0.00 0.00 42.92 42.32 1j5h s ASP 99 CO -0.07 -0.91 1.58 0.00 0.68 0.00 0.00 175.17 176.45 1j5h n ALA 100 N -1.93 4.13 0.00 2.11 0.00 -1.26 -2.69 120.51 120.87 1j5h n ALA 100 Ca 0.09 -1.24 0.00 0.00 0.00 0.00 0.00 53.44 52.30 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 0.06 0.04 -0.06 0.00 0.00 -1.26 -4.98 120.51 114.32 1j5h n ALA 101 Ca 0.24 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.62 1j5h n ALA 101 Cb 0.84 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.24 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 97.62 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 -4.70 0.00 0.00 0.19 6.94 -1.10 -4.88 115.26 111.72 1j5h n ASN 103 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.51 1j5h n ASN 103 Cb 0.21 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.63 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 -0.22 3.71 4.83 0.00 -1.26 -4.82 105.19 107.43 1j5h n GLY 104 Ca 0.00 -1.81 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 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 -1.60 4.42 -0.11 1.61 0.04 -1.26 -4.91 135.00 133.18 1j5h s PRO 105 Ca 0.00 1.71 -0.13 0.00 0.04 0.00 0.00 61.00 62.62 1j5h s PRO 105 Cb 0.00 -3.41 -0.12 0.00 0.04 0.00 0.00 34.50 31.01 1j5h s PRO 105 CO 0.00 -0.29 0.38 1.49 0.04 0.00 0.00 177.00 178.62 1j5h h GLU 106 N 6.98 -0.02 0.00 4.56 4.57 -1.91 -3.49 114.58 125.27 1j5h h GLU 106 Ca -0.40 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.79 1j5h h GLU 106 Cb 1.20 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 1j5h h GLU 106 CO 0.82 0.41 0.00 0.41 -1.18 0.00 0.00 179.01 179.47 1j5h n GLY 107 N 1.61 1.49 3.05 1.92 0.00 -1.26 -5.01 105.19 106.98 1j5h n GLY 107 Ca -0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.72 2.07 -1.80 1.61 0.31 -1.26 -4.89 118.33 113.66 1j5h n VAL 108 Ca 0.00 -1.82 -0.42 0.00 -0.01 0.00 0.00 64.34 62.09 1j5h n VAL 108 Cb 0.00 -2.36 -0.03 0.00 -0.91 0.00 0.00 33.84 30.54 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 4.83 3.44 0.11 3.52 0.00 -1.26 -1.86 121.76 130.54 1j5h s ALA 109 Ca 0.56 1.06 0.10 0.00 0.00 0.00 0.00 51.96 53.68 1j5h s ALA 109 Cb 0.14 -3.85 -0.04 0.00 0.00 0.00 0.00 23.12 19.37 1j5h s ALA 109 CO 0.09 -1.73 -0.26 0.42 0.00 0.00 0.00 175.76 174.28 1j5h s ILE 110 N 4.94 2.13 -0.60 0.00 1.01 -0.91 -4.91 121.20 122.86 1j5h s ILE 110 Ca 0.84 -1.67 -0.20 0.00 0.00 0.00 0.00 60.65 59.63 1j5h s ILE 110 Cb -0.37 -1.89 0.09 0.00 0.01 0.00 0.00 42.46 40.31 1j5h s ILE 110 CO 0.36 0.09 0.75 -0.55 0.00 0.00 0.00 174.94 175.59 1j5h s SER 111 N -1.93 6.18 -0.03 3.58 0.15 -0.62 -4.42 113.70 116.62 1j5h s SER 111 Ca 0.12 -1.31 0.05 0.00 0.70 0.00 0.00 55.95 55.51 1j5h s SER 111 Cb -0.10 -2.32 0.19 0.00 -1.71 0.00 0.00 66.02 62.08 1j5h s SER 111 CO 0.05 -1.16 0.98 0.49 1.20 0.00 0.00 173.24 174.80 1j5h n PHE 112 N 6.57 0.40 0.00 3.44 3.01 -1.26 -1.86 117.46 127.76 1j5h n PHE 112 Ca -0.08 -0.16 0.00 0.00 1.01 0.00 0.00 57.45 58.22 1j5h n PHE 112 Cb 0.43 -0.10 0.00 0.00 -0.01 0.00 0.00 39.48 39.80 1j5h n PHE 112 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06