#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 -1.09 0.00 0.00 -1.26 -5.01 120.51 113.15 1j5h n ALA 2 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1j5h n ALA 2 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 2.65 0.00 0.00 -0.04 -1.25 -3.83 135.00 132.53 1j5h n PRO 3 Ca 0.00 -1.88 0.00 0.00 -0.04 0.00 0.00 63.50 61.58 1j5h n PRO 3 Cb 0.00 -2.72 0.00 0.00 -0.04 0.00 0.00 33.50 30.74 1j5h n PRO 3 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1j5h n THR 4 N 4.31 0.00 -2.94 0.52 5.66 0.30 -4.60 114.28 117.52 1j5h n THR 4 Ca 0.58 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 61.38 1j5h n THR 4 Cb 0.23 0.00 0.05 0.00 -1.55 0.00 0.00 70.33 69.06 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 4.48 0.03 1.79 0.00 -1.26 0.11 121.76 124.91 1j5h s ALA 5 Ca 0.00 -1.90 -0.17 0.00 0.00 0.00 0.00 51.96 49.89 1j5h s ALA 5 Cb 0.00 -1.62 0.03 0.00 0.00 0.00 0.00 23.12 21.53 1j5h s ALA 5 CO 0.00 -0.76 0.39 0.95 0.00 0.00 0.00 175.76 176.34 1j5h s THR 6 N -2.64 0.06 -0.21 0.00 -4.23 0.11 -4.80 115.64 103.93 1j5h s THR 6 Ca 0.60 -0.48 -0.04 0.00 -1.18 0.00 0.00 61.69 60.59 1j5h s THR 6 Cb -0.07 -0.89 -0.02 0.00 1.34 0.00 0.00 72.50 72.86 1j5h s THR 6 CO 0.38 -0.27 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.48 1j5h s VAL 7 N -2.23 3.63 0.01 2.29 1.01 -1.26 -1.70 120.40 122.13 1j5h s VAL 7 Ca -0.07 -0.42 -0.01 0.00 0.00 0.00 0.00 61.98 61.48 1j5h s VAL 7 Cb -0.02 -2.64 -0.00 0.00 0.00 0.00 0.00 36.38 33.72 1j5h s VAL 7 CO -0.01 0.43 0.68 0.41 0.00 0.00 0.00 175.10 176.61 1j5h n THR 8 N 4.49 -0.02 -1.54 3.92 -1.04 -0.65 -4.43 114.28 115.01 1j5h n THR 8 Ca -0.18 1.02 -0.29 0.00 -2.04 0.00 0.00 64.05 62.56 1j5h n THR 8 Cb 0.51 -1.35 0.13 0.00 -1.82 0.00 0.00 70.33 67.80 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 -3.12 1.32 0.00 -2.82 0.04 -1.26 -5.00 135.00 124.15 1j5h s PRO 9 Ca -0.00 0.35 0.00 0.00 0.04 0.00 0.00 61.00 61.39 1j5h s PRO 9 Cb 0.00 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.69 1j5h s PRO 9 CO 0.02 -2.09 0.61 -1.13 0.04 0.00 0.00 177.00 174.45 1j5h n SER 10 N -3.70 0.00 0.00 6.66 3.41 -1.26 -4.99 113.62 113.74 1j5h n SER 10 Ca 0.07 -1.23 0.00 0.00 -0.26 0.00 0.00 58.87 57.44 1j5h n SER 10 Cb 0.59 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 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 -1.12 4.04 3.41 -1.25 -1.63 113.62 117.07 1j5h n SER 11 Ca 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.54 1j5h n SER 11 Cb 0.55 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.51 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 -0.28 0.32 0.00 5.00 0.00 0.45 -4.82 105.19 105.85 1j5h n GLY 12 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.44 0.00 -3.61 0.99 4.77 -0.89 -4.71 117.00 112.10 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 0.54 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.61 1j5h n LEU 13 CO 0.15 0.00 0.43 -0.55 -1.33 0.00 0.00 177.39 176.09 1j5h s SER 14 N -1.00 -0.43 -0.75 -1.43 0.15 -1.26 -1.88 113.70 107.10 1j5h s SER 14 Ca 0.00 -0.27 -0.26 0.00 0.70 0.00 0.00 55.95 56.13 1j5h s SER 14 Cb 0.00 0.66 -0.10 0.00 -1.71 0.00 0.00 66.02 64.87 1j5h s SER 14 CO 0.00 -1.13 2.26 -0.62 1.20 0.00 0.00 173.24 174.95 1j5h s ASP 15 N -2.82 4.38 0.00 5.45 2.15 -1.26 -0.87 116.67 123.70 1j5h s ASP 15 Ca 0.05 0.10 0.00 0.00 0.43 0.00 0.00 52.55 53.13 1j5h s ASP 15 Cb -0.03 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.05 1j5h s ASP 15 CO -0.04 -3.32 0.00 0.61 -0.17 0.00 0.00 175.17 172.24 1j5h n GLY 16 N 6.58 1.80 3.45 2.66 0.00 -1.21 -4.80 105.19 113.68 1j5h n GLY 16 Ca 0.41 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.04 1j5h n GLY 16 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1j5h n THR 17 N -0.41 3.35 -1.82 2.61 -1.04 -0.04 -4.62 114.28 112.32 1j5h n THR 17 Ca 0.00 -3.41 -0.21 0.00 -2.04 0.00 0.00 64.05 58.40 1j5h n THR 17 Cb 0.00 -2.34 -0.09 0.00 -1.82 0.00 0.00 70.33 66.08 1j5h n THR 17 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1j5h s VAL 18 N 5.60 3.26 0.46 12.58 1.01 -1.24 -1.94 120.40 140.14 1j5h s VAL 18 Ca 0.56 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 62.14 1j5h s VAL 18 Cb 0.05 -4.18 0.01 0.00 0.00 0.00 0.00 36.38 32.25 1j5h s VAL 18 CO 0.07 -0.49 0.66 0.68 0.00 0.00 0.00 175.10 176.03 1j5h s VAL 19 N 14.12 3.61 0.41 2.92 -7.23 -0.61 -4.66 120.40 128.96 1j5h s VAL 19 Ca 0.76 -0.65 -0.26 0.00 -1.81 0.00 0.00 61.98 60.03 1j5h s VAL 19 Cb -0.04 -3.32 -0.09 0.00 0.56 0.00 0.00 36.38 33.50 1j5h s VAL 19 CO 0.15 -0.20 1.28 -0.54 -0.31 0.00 0.00 175.10 175.47 1j5h s LYS 20 N -4.54 3.98 0.00 4.82 1.02 -1.26 -0.21 119.74 123.55 1j5h s LYS 20 Ca 0.50 2.10 -0.01 0.00 0.02 0.00 0.00 55.97 58.59 1j5h s LYS 20 Cb -0.10 -2.74 -0.01 0.00 -0.52 0.00 0.00 37.83 34.46 1j5h s LYS 20 CO 0.37 -0.47 0.00 0.08 -0.92 0.00 0.00 175.35 174.41 1j5h s VAL 21 N -1.28 0.04 0.03 3.17 1.01 0.40 -1.64 120.40 122.14 1j5h s VAL 21 Ca 0.57 -0.37 -0.10 0.00 0.00 0.00 0.00 61.98 62.09 1j5h s VAL 21 Cb -0.37 -0.13 0.01 0.00 0.00 0.00 0.00 36.38 35.89 1j5h s VAL 21 CO 0.47 -0.20 0.21 0.00 0.00 0.00 0.00 175.10 175.58 1j5h s ALA 22 N -0.59 -0.41 0.00 5.51 0.00 -0.69 -0.31 121.76 125.27 1j5h s ALA 22 Ca -0.07 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 51.69 1j5h s ALA 22 Cb -0.04 0.25 0.00 0.00 0.00 0.00 0.00 23.12 23.33 1j5h s ALA 22 CO -0.00 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 175.82 1j5h n GLY 23 N 0.79 0.95 0.00 0.00 0.00 0.53 0.09 105.19 107.55 1j5h n GLY 23 Ca -0.19 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 43.71 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 0.27 4.61 0.00 0.31 -1.53 120.51 124.97 1j5h n ALA 24 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1j5h n ALA 24 Cb 0.00 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.58 1j5h n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j5h n GLY 25 N 0.00 -0.28 3.58 0.00 0.00 -1.26 0.11 105.19 107.33 1j5h n GLY 25 Ca 0.00 -0.03 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.13 -3.38 0.00 0.99 7.94 -1.08 -4.82 117.00 115.52 1j5h n LEU 26 Ca 0.03 -0.73 0.00 0.00 -1.11 0.00 0.00 56.01 54.20 1j5h n LEU 26 Cb 0.03 -2.22 0.00 0.00 0.53 0.00 0.00 43.42 41.75 1j5h n LEU 26 CO 0.03 -0.03 0.00 1.67 -1.11 0.00 0.00 177.39 177.95 1j5h n GLN 27 N -2.69 0.00 0.00 1.96 0.00 0.10 -4.61 117.38 112.14 1j5h n GLN 27 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.81 1j5h n GLN 27 Cb 0.62 -0.01 0.00 0.00 0.00 0.00 0.00 30.24 30.84 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 -2.45 0.00 -0.94 1.69 0.00 -1.26 -3.80 120.51 113.76 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 0.38 3.60 0.00 0.00 -1.25 -4.89 105.19 103.04 1j5h n GLY 29 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.95 2.16 0.13 2.61 2.01 -1.26 -4.21 115.64 115.13 1j5h s THR 30 Ca 0.00 0.05 -0.13 0.00 0.31 0.00 0.00 61.69 61.92 1j5h s THR 30 Cb 0.00 -2.32 -0.07 0.00 0.01 0.00 0.00 72.50 70.12 1j5h s THR 30 CO 0.00 -0.07 0.51 0.00 -0.69 0.00 0.00 174.62 174.37 1j5h s ALA 31 N -2.72 3.62 -0.42 7.40 0.00 -1.26 -0.70 121.76 127.67 1j5h s ALA 31 Ca 0.66 -0.20 0.05 0.00 0.00 0.00 0.00 51.96 52.47 1j5h s ALA 31 Cb -0.21 -2.45 0.19 0.00 0.00 0.00 0.00 23.12 20.64 1j5h s ALA 31 CO 0.60 0.49 0.43 0.66 0.00 0.00 0.00 175.76 177.94 1j5h n TYR 32 N 0.82 -1.23 -1.66 0.00 4.01 0.11 -4.51 117.16 114.70 1j5h n TYR 32 Ca -0.06 -3.09 -0.50 0.00 -0.16 0.00 0.00 57.90 54.09 1j5h n TYR 32 Cb 0.52 0.33 -0.05 0.00 -0.31 0.00 0.00 39.34 39.83 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 2.57 2.71 -4.76 7.72 -0.08 0.67 -1.80 116.55 123.57 1j5h n ASP 33 Ca 0.27 1.06 -0.34 0.00 -1.51 0.00 0.00 54.79 54.26 1j5h n ASP 33 Cb 0.50 -1.30 0.04 0.00 2.34 0.00 0.00 41.12 42.70 1j5h n ASP 33 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1j5h s VAL 34 N 2.22 3.03 0.18 5.18 1.01 0.24 0.96 120.40 133.23 1j5h s VAL 34 Ca 0.88 0.55 0.02 0.00 0.00 0.00 0.00 61.98 63.44 1j5h s VAL 34 Cb -0.83 -3.12 -0.01 0.00 0.00 0.00 0.00 36.38 32.42 1j5h s VAL 34 CO 0.49 -0.22 0.09 0.61 0.00 0.00 0.00 175.10 176.07 1j5h n GLY 35 N -0.06 3.63 3.16 4.51 0.00 0.15 -4.33 105.19 112.25 1j5h n GLY 35 Ca 0.12 -1.94 0.05 0.00 0.00 0.00 0.00 46.02 44.25 1j5h n GLY 35 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1j5h s GLN 36 N -2.72 0.04 0.37 1.61 -0.21 -1.21 -3.58 119.66 113.96 1j5h s GLN 36 Ca 0.13 0.09 0.07 0.00 0.02 0.00 0.00 55.36 55.66 1j5h s GLN 36 Cb 0.01 0.05 -0.07 0.00 1.00 0.00 0.00 33.01 34.00 1j5h s GLN 36 CO 0.09 -0.04 0.00 0.00 -2.12 0.00 0.00 175.29 173.23 1j5h s ALA 38 N -2.87 0.43 -0.26 0.00 0.00 0.78 0.46 121.76 120.30 1j5h s ALA 38 Ca 0.35 -0.30 -0.29 0.00 0.00 0.00 0.00 51.96 51.72 1j5h s ALA 38 Cb 0.08 -1.02 -0.01 0.00 0.00 0.00 0.00 23.12 22.17 1j5h s ALA 38 CO 0.17 -1.15 1.33 1.67 0.00 0.00 0.00 175.76 177.78 1j5h s TRP 39 N 2.13 2.65 -0.13 0.00 -2.14 -1.26 -0.08 118.94 120.11 1j5h s TRP 39 Ca 0.02 0.86 0.17 0.00 2.66 0.00 0.00 56.10 59.80 1j5h s TRP 39 Cb -0.16 -3.84 -0.24 0.00 -3.10 0.00 0.00 33.47 26.13 1j5h s TRP 39 CO -0.09 -1.86 0.17 0.28 -2.66 0.00 0.00 176.95 172.79 1j5h n VAL 40 N 6.06 0.85 -2.67 -0.66 0.31 -0.20 -4.77 118.33 117.25 1j5h n VAL 40 Ca 0.15 -0.66 -0.05 0.00 -0.01 0.00 0.00 64.34 63.77 1j5h n VAL 40 Cb 0.46 -0.35 0.06 0.00 -0.91 0.00 0.00 33.84 33.10 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 -2.51 -1.42 0.00 4.52 4.64 -1.22 -4.93 116.55 115.63 1j5h n ASP 41 Ca -0.21 -2.07 0.00 0.00 -1.38 0.00 0.00 54.79 51.13 1j5h n ASP 41 Cb 0.91 1.16 0.00 0.00 -1.04 0.00 0.00 41.12 42.14 1j5h n ASP 41 CO 0.00 0.00 0.00 0.41 -0.82 0.00 0.00 177.20 176.79 1j5h n THR 42 N -0.11 0.00 1.09 5.18 -1.04 -1.26 -2.51 114.28 115.62 1j5h n THR 42 Ca -0.13 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 61.98 1j5h n THR 42 Cb 0.72 0.00 0.54 0.00 -1.82 0.00 0.00 70.33 69.77 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 -0.76 2.49 3.41 0.00 -1.26 -2.90 105.19 106.17 1j5h n GLY 43 Ca 0.00 -0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.13 2.92 -3.22 1.61 0.31 -1.04 -4.92 118.33 112.85 1j5h n VAL 44 Ca 0.12 -4.33 -0.43 0.00 -0.01 0.00 0.00 64.34 59.69 1j5h n VAL 44 Cb 0.11 -1.22 -0.08 0.00 -0.91 0.00 0.00 33.84 31.74 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 -3.74 4.81 -0.63 7.52 0.20 -1.14 -1.03 118.68 124.67 1j5h s LEU 45 Ca 0.52 -0.65 -0.28 0.00 0.69 0.00 0.00 54.13 54.41 1j5h s LEU 45 Cb 0.43 -2.49 0.02 0.00 -0.43 0.00 0.00 46.19 43.71 1j5h s LEU 45 CO -0.18 -0.71 1.37 0.00 -0.29 0.00 0.00 176.35 176.54 1j5h s ALA 46 N 2.43 2.77 0.31 5.97 0.00 0.89 -4.34 121.76 129.77 1j5h s ALA 46 Ca 0.16 -0.92 -0.24 0.00 0.00 0.00 0.00 51.96 50.95 1j5h s ALA 46 Cb -0.17 -4.16 -0.10 0.00 0.00 0.00 0.00 23.12 18.70 1j5h s ALA 46 CO 0.15 -3.09 0.89 0.00 0.00 0.00 0.00 175.76 173.71 1j5h n ASN 48 N 0.48 3.47 0.00 0.00 5.15 0.60 -1.46 115.26 123.50 1j5h n ASN 48 Ca 0.01 -3.24 0.03 0.00 -0.60 0.00 0.00 54.58 50.79 1j5h n ASN 48 Cb 0.51 -0.82 0.19 0.00 -0.53 0.00 0.00 39.78 39.13 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 1.86 0.75 0.00 1.20 -0.04 -1.26 -2.09 135.00 135.42 1j5h n PRO 49 Ca 0.22 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.80 1j5h n PRO 49 Cb 0.36 -1.13 0.20 0.00 -0.04 0.00 0.00 33.50 32.89 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 -0.63 2.89 -0.62 0.55 0.00 -1.26 -4.34 120.51 117.10 1j5h n ALA 50 Ca 0.05 -0.58 0.47 0.00 0.00 0.00 0.00 53.44 53.38 1j5h n ALA 50 Cb 0.02 -0.93 0.74 0.00 0.00 0.00 0.00 19.45 19.28 1j5h n ALA 50 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1j5h n ASP 51 N 0.40 0.04 0.00 0.00 -0.08 -0.89 -4.61 116.55 111.41 1j5h n ASP 51 Ca 0.13 1.00 0.00 0.00 -1.51 0.00 0.00 54.79 54.41 1j5h n ASP 51 Cb 0.47 -0.50 0.00 0.00 2.34 0.00 0.00 41.12 43.44 1j5h n ASP 51 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1j5h n PHE 52 N -3.94 0.00 -1.03 -0.67 3.72 -1.26 -4.87 117.46 109.41 1j5h n PHE 52 Ca 0.41 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.48 1j5h n PHE 52 Cb 1.79 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 40.34 1j5h n PHE 52 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1j5h n SER 53 N 0.84 -3.00 -3.70 4.37 7.64 -1.26 -4.61 113.62 113.90 1j5h n SER 53 Ca 0.00 0.55 -0.13 0.00 1.01 0.00 0.00 58.87 60.30 1j5h n SER 53 Cb 0.00 -0.70 -0.09 0.00 -1.01 0.00 0.00 64.21 62.41 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 -0.82 -0.52 0.16 6.43 1.04 -1.26 0.83 113.70 119.55 1j5h s SER 54 Ca 0.47 1.00 0.10 0.00 0.48 0.00 0.00 55.95 58.00 1j5h s SER 54 Cb -0.42 1.01 -0.04 0.00 0.10 0.00 0.00 66.02 66.67 1j5h s SER 54 CO 0.54 -0.17 -0.21 0.54 0.98 0.00 0.00 173.24 174.91 1j5h s VAL 55 N 0.34 2.03 0.09 5.02 0.11 -0.74 -4.84 120.40 122.41 1j5h s VAL 55 Ca -0.01 -1.88 0.05 0.00 -2.93 0.00 0.00 61.98 57.21 1j5h s VAL 55 Cb -0.04 -1.91 -0.04 0.00 -1.53 0.00 0.00 36.38 32.87 1j5h s VAL 55 CO -0.00 -0.17 0.01 -0.89 -3.33 0.00 0.00 175.10 170.72 1j5h s THR 56 N -1.68 4.05 1.05 5.04 2.01 -1.26 0.07 115.64 124.92 1j5h s THR 56 Ca 0.16 -0.99 -0.16 0.00 0.31 0.00 0.00 61.69 61.01 1j5h s THR 56 Cb -0.08 -2.94 0.22 0.00 0.01 0.00 0.00 72.50 69.71 1j5h s THR 56 CO 0.07 0.11 1.16 0.00 -0.69 0.00 0.00 174.62 175.27 1j5h s ALA 57 N -1.34 1.26 -0.07 7.40 0.00 0.12 -2.60 121.76 126.53 1j5h s ALA 57 Ca 0.26 -0.81 -0.01 0.00 0.00 0.00 0.00 51.96 51.40 1j5h s ALA 57 Cb -0.12 -2.93 0.03 0.00 0.00 0.00 0.00 23.12 20.10 1j5h s ALA 57 CO 0.19 -2.93 -0.01 0.16 0.00 0.00 0.00 175.76 173.17 1j5h s ASP 58 N -4.06 1.49 0.00 0.00 1.47 0.50 -3.83 116.67 112.24 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 -0.11 -0.45 0.00 0.00 -0.34 0.00 0.00 42.92 42.02 1j5h s ASP 58 CO 0.55 -0.17 0.00 0.00 0.68 0.00 0.00 175.17 176.23 1j5h n ALA 59 N 4.96 0.00 -0.32 2.11 0.00 -1.26 0.17 120.51 126.18 1j5h n ALA 59 Ca -0.10 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.49 1j5h n ALA 59 Cb 0.50 0.00 0.29 0.00 0.00 0.00 0.00 19.45 20.24 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 0.41 -0.08 0.00 0.00 4.13 -1.26 -4.12 115.26 114.35 1j5h n ASN 60 Ca 0.00 1.56 0.00 0.00 1.68 0.00 0.00 54.58 57.82 1j5h n ASN 60 Cb 0.00 -0.58 0.00 0.00 -1.54 0.00 0.00 39.78 37.66 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 -1.45 0.23 3.76 7.41 0.00 0.46 -4.14 105.19 111.47 1j5h n GLY 61 Ca 0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.18 7.34 0.62 1.61 0.01 -1.20 -0.72 113.70 121.17 1j5h s SER 62 Ca 0.00 2.04 -0.11 0.00 1.31 0.00 0.00 55.95 59.19 1j5h s SER 62 Cb 0.00 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.58 1j5h s SER 62 CO 0.00 -0.07 1.03 0.00 0.41 0.00 0.00 173.24 174.61 1j5h s ALA 63 N -1.33 3.08 -0.29 1.44 0.00 -0.59 0.19 121.76 124.26 1j5h s ALA 63 Ca 0.46 -0.06 -0.02 0.00 0.00 0.00 0.00 51.96 52.35 1j5h s ALA 63 Cb -0.26 -3.09 0.18 0.00 0.00 0.00 0.00 23.12 19.96 1j5h s ALA 63 CO 0.33 -0.68 0.58 -1.54 0.00 0.00 0.00 175.76 174.44 1j5h s SER 64 N -4.08 -1.21 0.00 0.00 1.04 -1.07 -0.35 113.70 108.03 1j5h s SER 64 Ca 0.55 0.84 0.00 0.00 0.48 0.00 0.00 55.95 57.82 1j5h s SER 64 Cb -0.11 2.06 0.00 0.00 0.10 0.00 0.00 66.02 68.07 1j5h s SER 64 CO 0.52 -0.26 0.00 1.07 0.98 0.00 0.00 173.24 175.55 1j5h n THR 65 N 5.42 0.00 -3.35 2.02 5.66 0.58 -4.63 114.28 119.98 1j5h n THR 65 Ca -0.02 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.61 1j5h n THR 65 Cb 0.51 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.23 1j5h n THR 65 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1j5h s SER 66 N 0.00 6.69 -0.10 1.09 0.01 -1.26 0.15 113.70 120.29 1j5h s SER 66 Ca 0.00 0.82 0.01 0.00 1.31 0.00 0.00 55.95 58.09 1j5h s SER 66 Cb 0.00 -2.28 -0.02 0.00 0.21 0.00 0.00 66.02 63.93 1j5h s SER 66 CO 0.00 0.05 -0.13 -0.76 0.41 0.00 0.00 173.24 172.82 1j5h s LEU 67 N 0.38 2.79 -0.75 2.44 1.02 0.71 -4.84 118.68 120.42 1j5h s LEU 67 Ca 0.25 -0.24 -0.26 0.00 0.02 0.00 0.00 54.13 53.90 1j5h s LEU 67 Cb -0.15 -1.60 0.01 0.00 0.02 0.00 0.00 46.19 44.46 1j5h s LEU 67 CO 0.10 0.25 1.55 0.28 0.02 0.00 0.00 176.35 178.55 1j5h s THR 68 N -0.14 3.60 -0.86 5.49 -1.32 -1.26 -1.58 115.64 119.57 1j5h s THR 68 Ca -0.00 0.12 -0.05 0.00 -1.21 0.00 0.00 61.69 60.54 1j5h s THR 68 Cb -0.13 -4.54 -0.05 0.00 -1.51 0.00 0.00 72.50 66.26 1j5h s THR 68 CO 0.03 -1.49 2.04 0.52 -2.21 0.00 0.00 174.62 173.51 1j5h n VAL 69 N 6.84 2.27 -2.02 5.08 0.31 -0.82 -4.68 118.33 125.32 1j5h n VAL 69 Ca 0.16 -1.36 -0.39 0.00 -0.01 0.00 0.00 64.34 62.74 1j5h n VAL 69 Cb 0.50 -2.09 0.00 0.00 -0.91 0.00 0.00 33.84 31.34 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 3.53 3.79 0.00 5.55 1.70 -1.26 -3.32 118.95 128.94 1j5h s ARG 70 Ca 0.37 2.13 0.00 0.00 -0.47 0.00 0.00 55.73 57.76 1j5h s ARG 70 Cb 0.10 -2.62 0.00 0.00 -0.57 0.00 0.00 34.95 31.86 1j5h s ARG 70 CO -0.03 -0.64 0.00 2.89 -1.08 0.00 0.00 175.30 176.44 1j5h n ARG 71 N -0.17 0.00 -1.88 3.89 1.85 -1.26 -4.78 116.66 114.31 1j5h n ARG 71 Ca 0.05 0.00 -0.23 0.00 -1.00 0.00 0.00 57.85 56.68 1j5h n ARG 71 Cb 0.44 -0.16 -0.08 0.00 -1.05 0.00 0.00 32.46 31.62 1j5h n ARG 71 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 1j5h s SER 72 N -3.45 4.45 0.04 2.89 1.04 -1.25 -1.88 113.70 115.54 1j5h s SER 72 Ca 0.00 -1.15 0.02 0.00 0.48 0.00 0.00 55.95 55.30 1j5h s SER 72 Cb 0.00 -2.58 -0.02 0.00 0.10 0.00 0.00 66.02 63.51 1j5h s SER 72 CO 0.00 -3.62 -0.06 0.72 0.98 0.00 0.00 173.24 171.26 1j5h s PHE 73 N 13.06 0.56 -0.29 5.02 -0.12 -0.59 -4.74 117.98 130.89 1j5h s PHE 73 Ca 0.75 -0.53 -0.29 0.00 -0.05 0.00 0.00 56.93 56.81 1j5h s PHE 73 Cb -0.04 -0.35 0.01 0.00 -0.63 0.00 0.00 43.02 42.01 1j5h s PHE 73 CO 0.12 -0.12 1.19 -1.83 -0.05 0.00 0.00 175.22 174.53 1j5h s GLU 74 N -1.67 4.04 0.24 1.99 -1.05 -1.26 0.29 118.70 121.28 1j5h s GLU 74 Ca -0.11 1.24 0.09 0.00 -0.15 0.00 0.00 54.97 56.05 1j5h s GLU 74 Cb -0.09 -3.79 -0.04 0.00 -0.44 0.00 0.00 34.13 29.77 1j5h s GLU 74 CO -0.00 -0.94 -0.04 0.20 0.95 0.00 0.00 175.26 175.42 1j5h s GLY 75 N 2.11 1.69 -0.07 -3.83 0.00 -1.26 -4.79 107.32 101.17 1j5h s GLY 75 Ca 0.51 -1.61 0.04 0.00 0.00 0.00 0.00 44.72 43.66 1j5h s GLY 75 CO 0.18 -1.66 -0.18 -1.36 0.00 0.00 0.00 173.10 170.08 1j5h s PHE 76 N -2.16 2.63 0.12 1.90 0.40 -0.54 -0.89 117.98 119.45 1j5h s PHE 76 Ca 0.29 -0.44 -0.24 0.00 -0.60 0.00 0.00 56.93 55.94 1j5h s PHE 76 Cb -0.07 -1.66 -0.05 0.00 0.51 0.00 0.00 43.02 41.75 1j5h s PHE 76 CO 0.18 -0.03 1.37 1.28 0.70 0.00 0.00 175.22 178.73 1j5h n LEU 77 N 2.76 -0.81 0.00 -0.37 4.32 0.24 -0.30 117.00 122.84 1j5h n LEU 77 Ca -0.17 1.56 0.00 0.00 -0.02 0.00 0.00 56.01 57.37 1j5h n LEU 77 Cb 0.52 -0.27 0.00 0.00 -1.62 0.00 0.00 43.42 42.05 1j5h n LEU 77 CO 0.26 -1.21 0.00 0.33 -1.22 0.00 0.00 177.39 175.56 1j5h n PHE 78 N -4.75 0.00 -0.09 -1.77 7.35 -1.26 -4.29 117.46 112.65 1j5h n PHE 78 Ca 0.02 0.00 -0.16 0.00 -0.76 0.00 0.00 57.45 56.55 1j5h n PHE 78 Cb 0.20 0.00 -0.14 0.00 0.35 0.00 0.00 39.48 39.89 1j5h n PHE 78 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 1j5h n ASP 79 N 0.00 1.43 0.00 -2.13 9.92 -1.26 -4.97 116.55 119.54 1j5h n ASP 79 Ca 0.00 0.01 0.00 0.00 -0.53 0.00 0.00 54.79 54.27 1j5h n ASP 79 Cb 0.00 -0.13 0.00 0.00 -0.64 0.00 0.00 41.12 40.35 1j5h n ASP 79 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1j5h n GLY 80 N 2.02 0.26 3.70 0.44 0.00 -1.26 -5.13 105.19 105.22 1j5h n GLY 80 Ca -0.38 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.21 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 0.02 -5.00 2.61 -1.04 -1.26 -4.82 114.28 104.78 1j5h n THR 81 Ca 0.00 -0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.68 1j5h n THR 81 Cb 0.00 -1.83 -0.14 0.00 -1.82 0.00 0.00 70.33 66.54 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 1.16 2.40 0.00 -2.82 1.04 -1.26 0.79 118.95 120.26 1j5h s ARG 82 Ca 0.77 -0.76 0.00 0.00 -1.04 0.00 0.00 55.73 54.70 1j5h s ARG 82 Cb -0.57 -2.29 0.00 0.00 -2.04 0.00 0.00 34.95 30.05 1j5h s ARG 82 CO 0.35 0.61 0.00 0.91 -0.04 0.00 0.00 175.30 177.12 1j5h n TRP 83 N 2.34 0.00 0.00 5.89 7.02 -0.07 -4.96 117.44 127.66 1j5h n TRP 83 Ca -0.17 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.31 1j5h n TRP 83 Cb 0.52 -0.11 0.00 0.00 -2.42 0.00 0.00 31.31 29.30 1j5h n TRP 83 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1j5h n GLY 84 N 2.19 3.05 3.61 6.99 0.00 -1.25 -4.93 105.19 114.84 1j5h n GLY 84 Ca 0.00 -1.53 -0.19 0.00 0.00 0.00 0.00 46.02 44.30 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 0.74 -0.75 -2.38 2.61 5.66 -1.26 -4.72 114.28 114.18 1j5h n THR 85 Ca 0.00 -0.29 -0.43 0.00 -3.05 0.00 0.00 64.05 60.28 1j5h n THR 85 Cb 0.00 -0.71 -0.02 0.00 -1.55 0.00 0.00 70.33 68.05 1j5h n THR 85 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1j5h s VAL 86 N -3.86 3.91 -0.75 1.08 1.01 0.14 -4.62 120.40 117.32 1j5h s VAL 86 Ca 0.06 0.91 -0.26 0.00 0.00 0.00 0.00 61.98 62.70 1j5h s VAL 86 Cb -0.03 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 1j5h s VAL 86 CO 0.56 -0.84 1.92 -1.81 0.00 0.00 0.00 175.10 174.93 1j5h s ASP 87 N 3.88 5.17 0.26 3.32 -0.00 -1.26 -1.54 116.67 126.50 1j5h s ASP 87 Ca 0.59 -0.12 -0.07 0.00 -0.00 0.00 0.00 52.55 52.96 1j5h s ASP 87 Cb -0.12 -2.54 0.48 0.00 -0.00 0.00 0.00 42.92 40.73 1j5h s ASP 87 CO 0.32 -2.59 1.60 0.00 -0.00 0.00 0.00 175.17 174.50 1j5h h THR 89 N 0.03 0.41 0.00 0.00 1.03 -1.84 3.09 112.91 115.62 1j5h h THR 89 Ca 0.46 0.00 -0.08 0.00 -0.01 0.00 0.00 66.41 66.77 1j5h h THR 89 Cb 0.79 0.47 -0.01 0.00 -1.07 0.00 0.00 68.15 68.32 1j5h h THR 89 CO -0.84 0.00 -0.39 0.74 -0.01 0.00 0.00 175.52 175.03 1j5h h THR 90 N 0.00 1.10 -0.31 0.00 2.02 0.45 -3.23 112.91 112.94 1j5h h THR 90 Ca 0.45 -1.41 -0.23 0.00 0.77 0.00 0.00 66.41 65.99 1j5h h THR 90 Cb 1.92 1.80 -0.39 0.00 -1.74 0.00 0.00 68.15 69.74 1j5h h THR 90 CO -0.00 0.38 -1.07 0.00 0.37 0.00 0.00 175.52 175.19 1j5h n ALA 91 N -2.39 2.64 -3.16 6.16 0.00 0.50 -5.01 120.51 119.26 1j5h n ALA 91 Ca -0.01 -2.69 -0.06 0.00 0.00 0.00 0.00 53.44 50.68 1j5h n ALA 91 Cb 0.45 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 19.10 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 -0.29 -1.29 -0.68 0.00 0.00 0.91 -4.26 120.51 114.90 1j5h n ALA 92 Ca 0.09 -0.07 -0.06 0.00 0.00 0.00 0.00 53.44 53.39 1j5h n ALA 92 Cb 0.91 -0.24 0.11 0.00 0.00 0.00 0.00 19.45 20.22 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 -3.12 0.79 -0.19 0.00 1.03 0.17 -1.91 119.66 116.42 1j5h s GLN 94 Ca 0.24 -1.33 -0.02 0.00 0.04 0.00 0.00 55.36 54.29 1j5h s GLN 94 Cb -0.04 0.03 0.06 0.00 0.03 0.00 0.00 33.01 33.08 1j5h s GLN 94 CO 0.20 -0.11 0.02 0.54 -2.54 0.00 0.00 175.29 173.40 1j5h s VAL 95 N -3.82 0.70 0.40 3.63 0.11 -0.72 -1.29 120.40 119.42 1j5h s VAL 95 Ca 0.13 -0.63 0.04 0.00 -2.93 0.00 0.00 61.98 58.59 1j5h s VAL 95 Cb 0.07 -1.14 -0.05 0.00 -1.53 0.00 0.00 36.38 33.73 1j5h s VAL 95 CO -0.05 -0.15 0.05 -0.83 -3.33 0.00 0.00 175.10 170.79 1j5h s GLY 96 N 1.78 2.50 0.20 6.54 0.00 -1.23 -4.45 107.32 112.65 1j5h s GLY 96 Ca -0.01 -1.62 -0.02 0.00 0.00 0.00 0.00 44.72 43.06 1j5h s GLY 96 CO -0.07 -1.98 0.40 1.08 0.00 0.00 0.00 173.10 172.53 1j5h s LEU 97 N -3.65 4.22 -0.09 0.66 1.43 -1.26 0.35 118.68 120.33 1j5h s LEU 97 Ca 0.27 0.47 -0.01 0.00 -1.03 0.00 0.00 54.13 53.84 1j5h s LEU 97 Cb 0.06 -3.23 0.03 0.00 0.03 0.00 0.00 46.19 43.08 1j5h s LEU 97 CO 0.13 -0.04 -0.04 -0.55 0.23 0.00 0.00 176.35 176.08 1j5h s SER 98 N -3.01 1.81 0.57 2.29 0.15 0.27 -4.74 113.70 111.05 1j5h s SER 98 Ca 0.39 -0.20 0.09 0.00 0.70 0.00 0.00 55.95 56.94 1j5h s SER 98 Cb -0.11 -0.64 0.08 0.00 -1.71 0.00 0.00 66.02 63.64 1j5h s SER 98 CO 0.28 -0.14 0.74 1.51 1.20 0.00 0.00 173.24 176.84 1j5h s ASP 99 N 1.71 5.02 -0.20 5.45 1.47 -1.26 -0.24 116.67 128.62 1j5h s ASP 99 Ca 0.03 -0.92 0.01 0.00 1.18 0.00 0.00 52.55 52.85 1j5h s ASP 99 Cb -0.13 0.34 0.26 0.00 -0.34 0.00 0.00 42.92 43.05 1j5h s ASP 99 CO -0.06 -1.32 1.50 0.00 0.68 0.00 0.00 175.17 175.97 1j5h n ALA 100 N -2.18 4.01 0.00 2.11 0.00 -1.26 -2.18 120.51 121.00 1j5h n ALA 100 Ca 0.13 -1.23 0.00 0.00 0.00 0.00 0.00 53.44 52.34 1j5h n ALA 100 Cb 0.62 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.86 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 -0.03 0.50 -0.06 0.00 0.00 -1.26 -4.96 120.51 114.69 1j5h n ALA 101 Ca 0.25 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.48 1j5h n ALA 101 Cb 0.90 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 20.22 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 0.09 0.00 0.00 0.00 -1.96 -3.49 103.07 97.70 1j5h h GLY 102 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.11 1j5h h GLY 102 CO 0.00 0.19 0.00 1.16 0.00 0.00 0.00 176.54 177.89 1j5h n ASN 103 N -4.29 0.00 -0.66 0.19 0.23 -0.93 -4.82 115.26 104.99 1j5h n ASN 103 Ca -0.26 0.00 0.07 0.00 -0.53 0.00 0.00 54.58 53.86 1j5h n ASN 103 Cb 0.72 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.40 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 -1.90 0.00 4.83 0.00 -1.26 -4.69 105.19 102.17 1j5h n GLY 104 Ca 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.72 1j5h n GLY 104 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1j5h n PRO 105 N -2.12 0.07 0.10 1.61 -0.04 -1.26 -4.57 135.00 128.79 1j5h n PRO 105 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1j5h n PRO 105 Cb 0.23 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.69 1j5h n PRO 105 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1j5h n GLU 106 N -0.78 0.00 0.00 0.54 0.00 -1.26 -4.85 120.64 114.29 1j5h n GLU 106 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1j5h n GLU 106 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 31.44 31.42 1j5h n GLU 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1j5h n GLY 107 N 1.62 0.55 3.09 8.31 0.00 -1.26 -5.07 105.19 112.42 1j5h n GLY 107 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 5.14 -1.99 1.61 0.31 -1.26 -4.99 118.33 117.15 1j5h n VAL 108 Ca 0.00 -5.80 -0.43 0.00 -0.01 0.00 0.00 64.34 58.10 1j5h n VAL 108 Cb 0.00 -2.21 -0.03 0.00 -0.91 0.00 0.00 33.84 30.70 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 -2.42 2.88 -0.00 3.52 0.00 -1.26 -1.76 121.76 122.72 1j5h s ALA 109 Ca 0.31 0.29 0.03 0.00 0.00 0.00 0.00 51.96 52.58 1j5h s ALA 109 Cb 0.01 -4.01 -0.03 0.00 0.00 0.00 0.00 23.12 19.09 1j5h s ALA 109 CO 0.06 -2.61 -0.06 0.42 0.00 0.00 0.00 175.76 173.57 1j5h s ILE 110 N 6.88 3.73 -0.45 0.00 1.01 -0.80 -4.85 121.20 126.70 1j5h s ILE 110 Ca 0.80 -0.72 -0.20 0.00 0.00 0.00 0.00 60.65 60.54 1j5h s ILE 110 Cb -0.23 -2.62 0.03 0.00 0.01 0.00 0.00 42.46 39.66 1j5h s ILE 110 CO 0.34 0.41 0.59 -0.44 0.00 0.00 0.00 174.94 175.84 1j5h s SER 111 N -1.38 6.26 -0.19 3.58 0.01 -0.65 -4.27 113.70 117.06 1j5h s SER 111 Ca 0.17 -0.58 -0.20 0.00 1.31 0.00 0.00 55.95 56.65 1j5h s SER 111 Cb -0.11 -2.29 -0.03 0.00 0.21 0.00 0.00 66.02 63.80 1j5h s SER 111 CO 0.07 -0.77 0.58 -0.36 0.41 0.00 0.00 173.24 173.17 1j5h s PHE 112 N 2.62 3.38 -2.00 2.43 0.40 -1.26 0.17 117.98 123.72 1j5h s PHE 112 Ca 0.18 0.87 0.15 0.00 -0.60 0.00 0.00 56.93 57.53 1j5h s PHE 112 Cb -0.16 -2.74 0.92 0.00 0.51 0.00 0.00 43.02 41.55 1j5h s PHE 112 CO 0.16 -0.13 1.33 -1.71 0.70 0.00 0.00 175.22 175.57