#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j5h s ALA 2 N 0.00 1.54 -0.78 0.00 0.00 -1.26 -5.08 121.76 116.18 1j5h s ALA 2 Ca 0.00 -0.78 -0.26 0.00 0.00 0.00 0.00 51.96 50.93 1j5h s ALA 2 Cb 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 23.12 22.08 1j5h s ALA 2 CO 0.00 -0.58 1.61 -1.25 0.00 0.00 0.00 175.76 175.54 1j5h s PRO 3 N 1.61 2.97 -0.20 0.00 0.04 -1.26 -4.76 135.00 133.41 1j5h s PRO 3 Ca 0.03 -0.15 -0.32 0.00 0.04 0.00 0.00 61.00 60.60 1j5h s PRO 3 Cb -0.14 -4.62 0.15 0.00 0.04 0.00 0.00 34.50 29.93 1j5h s PRO 3 CO -0.08 -2.56 1.19 0.95 0.04 0.00 0.00 177.00 176.53 1j5h s THR 4 N 7.42 0.00 0.54 1.26 -4.23 0.24 -4.40 115.64 116.46 1j5h s THR 4 Ca 0.53 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 61.07 1j5h s THR 4 Cb -0.08 -1.00 0.03 0.00 1.34 0.00 0.00 72.50 72.80 1j5h s THR 4 CO 0.09 0.00 0.75 0.00 -0.54 0.00 0.00 174.62 174.93 1j5h s ALA 5 N -1.83 4.00 0.02 3.99 0.00 -1.26 0.12 121.76 126.80 1j5h s ALA 5 Ca 0.07 -1.41 -0.12 0.00 0.00 0.00 0.00 51.96 50.50 1j5h s ALA 5 Cb -0.01 -1.99 0.01 0.00 0.00 0.00 0.00 23.12 21.13 1j5h s ALA 5 CO -0.04 -0.71 0.25 0.95 0.00 0.00 0.00 175.76 176.21 1j5h s THR 6 N -2.71 0.08 -0.24 0.00 -4.23 0.97 -4.71 115.64 104.80 1j5h s THR 6 Ca 0.57 -0.69 -0.10 0.00 -1.18 0.00 0.00 61.69 60.30 1j5h s THR 6 Cb -0.10 -0.78 -0.05 0.00 1.34 0.00 0.00 72.50 72.91 1j5h s THR 6 CO 0.38 -0.38 0.14 -0.69 -0.54 0.00 0.00 174.62 173.53 1j5h s VAL 7 N -2.07 5.19 0.00 2.29 1.01 -1.26 -1.61 120.40 123.95 1j5h s VAL 7 Ca -0.09 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.02 1j5h s VAL 7 Cb -0.03 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.93 1j5h s VAL 7 CO -0.01 0.35 0.56 0.41 0.00 0.00 0.00 175.10 176.41 1j5h n THR 8 N 4.36 0.00 0.00 3.92 -1.04 -0.68 -3.80 114.28 117.04 1j5h n THR 8 Ca -0.15 0.84 0.00 0.00 -2.04 0.00 0.00 64.05 62.70 1j5h n THR 8 Cb 0.52 -1.13 0.00 0.00 -1.82 0.00 0.00 70.33 67.90 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 -2.51 0.00 -0.38 -2.82 -0.04 -1.26 -4.98 135.00 123.01 1j5h n PRO 9 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1j5h n PRO 9 Cb 0.00 -0.12 0.00 0.00 -0.04 0.00 0.00 33.50 33.34 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 -1.14 -3.64 3.54 3.41 -1.25 -5.03 113.62 109.52 1j5h n SER 10 Ca 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.47 1j5h n SER 10 Cb 0.00 -0.19 -0.07 0.00 -0.26 0.00 0.00 64.21 63.69 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 -2.38 -0.69 -1.38 4.04 1.04 -1.26 -1.31 113.70 111.76 1j5h s SER 11 Ca 0.00 1.28 -0.08 0.00 0.48 0.00 0.00 55.95 57.63 1j5h s SER 11 Cb 0.00 1.29 0.03 0.00 0.10 0.00 0.00 66.02 67.44 1j5h s SER 11 CO 0.00 -0.27 1.06 0.61 0.98 0.00 0.00 173.24 175.62 1j5h n GLY 12 N 2.54 -0.49 0.00 7.32 0.00 -0.10 -4.92 105.19 109.54 1j5h n GLY 12 Ca -0.14 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -4.74 0.00 -3.67 0.99 4.77 -0.82 -4.56 117.00 108.96 1j5h n LEU 13 Ca -0.05 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.88 1j5h n LEU 13 Cb 0.58 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.65 1j5h n LEU 13 CO 0.68 0.00 0.69 -0.55 -1.33 0.00 0.00 177.39 176.88 1j5h s SER 14 N -1.00 -0.25 -0.61 -1.43 0.15 -1.26 -1.95 113.70 107.35 1j5h s SER 14 Ca 0.00 -0.28 -0.26 0.00 0.70 0.00 0.00 55.95 56.11 1j5h s SER 14 Cb 0.00 0.47 -0.07 0.00 -1.71 0.00 0.00 66.02 64.71 1j5h s SER 14 CO 0.00 -0.84 2.24 1.51 1.20 0.00 0.00 173.24 177.35 1j5h s ASP 15 N -2.80 4.60 0.00 5.45 3.84 -1.26 -1.05 116.67 125.44 1j5h s ASP 15 Ca 0.10 0.58 0.00 0.00 -0.00 0.00 0.00 52.55 53.23 1j5h s ASP 15 Cb -0.01 -2.52 0.00 0.00 -1.38 0.00 0.00 42.92 39.01 1j5h s ASP 15 CO -0.01 -2.92 0.00 0.61 -0.00 0.00 0.00 175.17 172.84 1j5h n GLY 16 N 6.14 1.33 3.56 2.12 0.00 -1.26 -4.71 105.19 112.37 1j5h n GLY 16 Ca 0.35 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 1j5h n GLY 16 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1j5h s THR 17 N -2.08 3.56 -1.10 2.61 -1.32 -0.22 -4.72 115.64 112.37 1j5h s THR 17 Ca 0.00 -0.52 -0.22 0.00 -1.21 0.00 0.00 61.69 59.75 1j5h s THR 17 Cb 0.00 -4.27 0.05 0.00 -1.51 0.00 0.00 72.50 66.78 1j5h s THR 17 CO 0.00 -1.15 1.54 -0.69 -2.21 0.00 0.00 174.62 172.11 1j5h s VAL 18 N 9.10 3.97 0.47 5.08 1.01 -1.25 -1.73 120.40 137.05 1j5h s VAL 18 Ca 0.65 -1.09 0.05 0.00 0.00 0.00 0.00 61.98 61.60 1j5h s VAL 18 Cb -0.05 -5.09 0.05 0.00 0.00 0.00 0.00 36.38 31.30 1j5h s VAL 18 CO -0.01 -1.95 0.43 1.33 0.00 0.00 0.00 175.10 174.90 1j5h n VAL 19 N 6.76 0.00 -2.99 2.92 0.24 -0.68 -4.76 118.33 119.83 1j5h n VAL 19 Ca 0.38 -1.79 -0.40 0.00 -2.04 0.00 0.00 64.34 60.49 1j5h n VAL 19 Cb 0.50 -0.23 -0.05 0.00 -1.47 0.00 0.00 33.84 32.59 1j5h n VAL 19 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1j5h s LYS 20 N -3.99 4.48 -0.03 7.34 1.02 -1.26 -0.25 119.74 127.05 1j5h s LYS 20 Ca 0.33 1.04 0.03 0.00 0.02 0.00 0.00 55.97 57.39 1j5h s LYS 20 Cb -0.03 -3.38 -0.00 0.00 -0.52 0.00 0.00 37.83 33.91 1j5h s LYS 20 CO 0.21 0.24 -0.13 0.08 -0.92 0.00 0.00 175.35 174.83 1j5h s VAL 21 N 0.09 1.11 0.09 3.17 1.01 0.31 -1.68 120.40 124.50 1j5h s VAL 21 Ca 0.39 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.85 1j5h s VAL 21 Cb -0.20 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 1j5h s VAL 21 CO 0.22 0.33 -0.09 0.00 0.00 0.00 0.00 175.10 175.57 1j5h s ALA 22 N 0.10 0.96 0.00 5.51 0.00 -0.63 -0.84 121.76 126.86 1j5h s ALA 22 Ca -0.03 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 50.78 1j5h s ALA 22 Cb -0.10 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.09 1j5h s ALA 22 CO 0.01 -0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.09 1j5h n GLY 23 N 0.56 1.01 0.00 0.00 0.00 -0.09 -0.02 105.19 106.65 1j5h n GLY 23 Ca -0.16 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.76 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 1.01 0.00 0.16 4.61 0.00 0.32 -1.54 120.51 125.07 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 -0.25 3.64 0.00 0.00 -1.26 0.80 105.19 108.11 1j5h n GLY 25 Ca 0.00 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.16 -3.14 0.00 0.99 7.94 -1.07 -4.78 117.00 115.79 1j5h n LEU 26 Ca 0.02 -0.98 0.00 0.00 -1.11 0.00 0.00 56.01 53.94 1j5h n LEU 26 Cb 0.02 -2.48 0.00 0.00 0.53 0.00 0.00 43.42 41.48 1j5h n LEU 26 CO 0.02 0.43 0.00 0.00 -1.11 0.00 0.00 177.39 176.73 1j5h n GLN 27 N -4.09 0.00 0.00 1.96 1.13 -0.16 -4.48 117.38 111.74 1j5h n GLN 27 Ca -0.10 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.96 1j5h n GLN 27 Cb 0.60 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.95 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 -1.48 -1.58 0.00 -1.26 -3.47 120.51 109.72 1j5h n ALA 28 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1j5h n ALA 28 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 0.95 3.91 0.00 0.00 -1.23 -4.90 105.19 103.91 1j5h n GLY 29 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.10 3.85 0.31 2.61 2.01 -1.26 -4.51 115.64 116.55 1j5h s THR 30 Ca 0.00 0.19 -0.22 0.00 0.31 0.00 0.00 61.69 61.98 1j5h s THR 30 Cb 0.00 -3.54 -0.09 0.00 0.01 0.00 0.00 72.50 68.88 1j5h s THR 30 CO 0.00 -0.60 0.85 0.00 -0.69 0.00 0.00 174.62 174.18 1j5h s ALA 31 N -3.05 3.26 -0.42 7.40 0.00 -1.26 -0.96 121.76 126.72 1j5h s ALA 31 Ca 0.54 0.32 0.05 0.00 0.00 0.00 0.00 51.96 52.88 1j5h s ALA 31 Cb -0.11 -3.01 0.19 0.00 0.00 0.00 0.00 23.12 20.20 1j5h s ALA 31 CO 0.47 0.24 0.44 0.66 0.00 0.00 0.00 175.76 177.57 1j5h n TYR 32 N 0.26 -1.21 -1.66 0.00 4.01 0.20 -4.81 117.16 113.95 1j5h n TYR 32 Ca 0.02 -3.10 -0.63 0.00 -0.16 0.00 0.00 57.90 54.03 1j5h n TYR 32 Cb 0.52 0.30 -0.09 0.00 -0.31 0.00 0.00 39.34 39.76 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 2.49 1.59 -4.76 7.72 -0.08 0.39 -1.79 116.55 122.11 1j5h n ASP 33 Ca 0.26 1.05 -0.41 0.00 -1.51 0.00 0.00 54.79 54.17 1j5h n ASP 33 Cb 0.50 -0.99 -0.00 0.00 2.34 0.00 0.00 41.12 42.97 1j5h n ASP 33 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1j5h n VAL 34 N 4.69 1.76 -4.13 5.18 0.31 0.31 0.51 118.33 126.96 1j5h n VAL 34 Ca 0.33 -0.44 -0.15 0.00 -0.01 0.00 0.00 64.34 64.07 1j5h n VAL 34 Cb 0.02 -1.92 -0.12 0.00 -0.91 0.00 0.00 33.84 30.91 1j5h n VAL 34 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1j5h s GLY 35 N -0.00 0.58 -0.05 2.92 0.00 -0.58 -4.06 107.32 106.12 1j5h s GLY 35 Ca 0.56 -0.75 -0.02 0.00 0.00 0.00 0.00 44.72 44.51 1j5h s GLY 35 CO 0.60 -0.78 0.09 1.20 0.00 0.00 0.00 173.10 174.22 1j5h s GLN 36 N -1.37 -0.03 0.44 2.90 -0.21 -1.26 -0.93 119.66 119.19 1j5h s GLN 36 Ca -0.05 0.42 0.03 0.00 0.02 0.00 0.00 55.36 55.78 1j5h s GLN 36 Cb -0.09 -0.40 -0.02 0.00 1.00 0.00 0.00 33.01 33.51 1j5h s GLN 36 CO 0.01 -0.30 0.10 0.00 -2.12 0.00 0.00 175.29 172.98 1j5h s ALA 38 N -3.12 -0.83 -0.10 0.00 0.00 0.41 0.69 121.76 118.80 1j5h s ALA 38 Ca 0.19 1.07 -0.24 0.00 0.00 0.00 0.00 51.96 52.98 1j5h s ALA 38 Cb 0.02 -0.64 -0.03 0.00 0.00 0.00 0.00 23.12 22.47 1j5h s ALA 38 CO 0.12 -0.19 0.73 -0.46 0.00 0.00 0.00 175.76 175.96 1j5h s TRP 39 N 0.60 3.52 0.00 0.00 -0.00 -0.90 -0.97 118.94 121.18 1j5h s TRP 39 Ca -0.03 1.22 0.00 0.00 -0.00 0.00 0.00 56.10 57.29 1j5h s TRP 39 Cb -0.05 -2.86 0.00 0.00 -0.00 0.00 0.00 33.47 30.56 1j5h s TRP 39 CO -0.04 -0.02 0.00 0.28 -0.00 0.00 0.00 176.95 177.17 1j5h n VAL 40 N 4.12 0.00 0.00 5.86 0.31 0.18 -4.50 118.33 124.30 1j5h n VAL 40 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1j5h n VAL 40 Cb 0.51 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.44 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 -0.29 0.04 4.52 2.03 -1.10 -4.79 116.55 116.95 1j5h n ASP 41 Ca 0.00 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.18 1j5h n ASP 41 Cb 0.00 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.31 1j5h n ASP 41 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1j5h h THR 42 N -0.99 1.15 -0.62 5.18 2.02 -2.05 -3.29 112.91 114.31 1j5h h THR 42 Ca 0.00 -0.82 -0.43 0.00 0.77 0.00 0.00 66.41 65.93 1j5h h THR 42 Cb 0.00 1.68 -0.30 0.00 -1.74 0.00 0.00 68.15 67.79 1j5h h THR 42 CO 0.00 0.20 -0.45 0.61 0.37 0.00 0.00 175.52 176.25 1j5h n GLY 43 N -0.12 5.95 2.88 2.16 0.00 -1.26 -4.96 105.19 109.84 1j5h n GLY 43 Ca -0.08 -2.22 -0.26 0.00 0.00 0.00 0.00 46.02 43.45 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 -4.24 0.90 -0.07 1.61 1.01 -1.24 -5.09 120.40 113.28 1j5h s VAL 44 Ca 0.50 -0.25 -0.00 0.00 0.00 0.00 0.00 61.98 62.22 1j5h s VAL 44 Cb 0.42 -0.97 0.03 0.00 0.00 0.00 0.00 36.38 35.85 1j5h s VAL 44 CO 0.01 0.31 -0.03 -0.22 0.00 0.00 0.00 175.10 175.17 1j5h s LEU 45 N 1.75 0.93 -0.32 3.92 0.20 -1.26 0.50 118.68 124.41 1j5h s LEU 45 Ca 0.04 -0.14 -0.09 0.00 0.69 0.00 0.00 54.13 54.63 1j5h s LEU 45 Cb -0.13 -0.52 0.00 0.00 -0.43 0.00 0.00 46.19 45.11 1j5h s LEU 45 CO -0.08 -0.13 0.14 0.00 -0.29 0.00 0.00 176.35 175.99 1j5h s ALA 46 N 1.59 3.22 0.58 5.97 0.00 -0.14 -4.12 121.76 128.84 1j5h s ALA 46 Ca -0.00 -1.47 -0.05 0.00 0.00 0.00 0.00 51.96 50.44 1j5h s ALA 46 Cb -0.13 -2.35 0.01 0.00 0.00 0.00 0.00 23.12 20.65 1j5h s ALA 46 CO -0.04 -0.99 0.88 0.00 0.00 0.00 0.00 175.76 175.60 1j5h s ASN 48 N -4.32 5.13 0.00 0.00 2.47 0.37 -0.85 114.94 117.76 1j5h s ASN 48 Ca 0.54 -3.44 -0.01 0.00 0.42 0.00 0.00 52.86 50.36 1j5h s ASN 48 Cb -0.10 -1.76 -0.05 0.00 -1.45 0.00 0.00 41.25 37.88 1j5h s ASN 48 CO 0.44 -0.20 1.86 -0.81 -3.72 0.00 0.00 177.10 174.67 1j5h n PRO 49 N 2.61 0.95 0.00 0.43 -0.04 -1.26 -2.41 135.00 135.28 1j5h n PRO 49 Ca 0.15 -0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1j5h n PRO 49 Cb 0.36 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 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 1.89 0.93 -0.05 0.55 0.00 -1.26 -4.85 120.51 117.72 1j5h n ALA 50 Ca 0.09 -0.23 -0.13 0.00 0.00 0.00 0.00 53.44 53.17 1j5h n ALA 50 Cb 0.46 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.83 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 -1.56 0.00 0.00 2.03 -1.74 -3.43 116.42 111.72 1j5h h ASP 51 Ca 0.00 0.20 0.00 0.00 -0.73 0.00 0.00 57.03 56.50 1j5h h ASP 51 Cb 0.38 0.64 0.00 0.00 -0.83 0.00 0.00 39.33 39.51 1j5h h ASP 51 CO 0.00 -0.44 0.00 0.33 -1.03 0.00 0.00 179.24 178.10 1j5h n PHE 52 N -5.43 0.00 -0.87 4.15 7.35 -1.26 -4.89 117.46 116.52 1j5h n PHE 52 Ca -0.04 0.00 -0.28 0.00 -0.76 0.00 0.00 57.45 56.37 1j5h n PHE 52 Cb 0.37 0.00 0.02 0.00 0.35 0.00 0.00 39.48 40.21 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 1.45 -3.42 -3.76 -2.13 7.64 -1.26 -4.53 113.62 107.60 1j5h n SER 53 Ca 0.00 0.36 -0.14 0.00 1.01 0.00 0.00 58.87 60.09 1j5h n SER 53 Cb 0.00 -0.61 -0.15 0.00 -1.01 0.00 0.00 64.21 62.43 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 -0.75 -0.00 0.17 6.43 1.04 -1.26 0.11 113.70 119.44 1j5h s SER 54 Ca 0.38 0.14 0.08 0.00 0.48 0.00 0.00 55.95 57.03 1j5h s SER 54 Cb -0.28 0.03 -0.04 0.00 0.10 0.00 0.00 66.02 65.83 1j5h s SER 54 CO 0.54 -0.13 -0.04 0.54 0.98 0.00 0.00 173.24 175.13 1j5h s VAL 55 N 1.09 3.50 0.10 5.02 0.11 -0.74 -4.80 120.40 124.67 1j5h s VAL 55 Ca -0.09 -1.50 0.07 0.00 -2.93 0.00 0.00 61.98 57.53 1j5h s VAL 55 Cb -0.12 -2.74 -0.04 0.00 -1.53 0.00 0.00 36.38 31.95 1j5h s VAL 55 CO -0.04 -0.10 -0.13 -0.89 -3.33 0.00 0.00 175.10 170.62 1j5h s THR 56 N -1.69 3.20 0.67 5.04 2.01 -1.26 0.58 115.64 124.19 1j5h s THR 56 Ca 0.26 -1.29 -0.08 0.00 0.31 0.00 0.00 61.69 60.89 1j5h s THR 56 Cb -0.09 -2.47 0.03 0.00 0.01 0.00 0.00 72.50 69.98 1j5h s THR 56 CO 0.17 0.15 1.01 0.00 -0.69 0.00 0.00 174.62 175.25 1j5h s ALA 57 N -1.16 3.09 -0.14 7.40 0.00 -0.14 -2.15 121.76 128.68 1j5h s ALA 57 Ca 0.20 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.49 1j5h s ALA 57 Cb -0.11 -2.74 0.02 0.00 0.00 0.00 0.00 23.12 20.29 1j5h s ALA 57 CO 0.12 -1.11 -0.12 0.16 0.00 0.00 0.00 175.76 174.80 1j5h s ASP 58 N -4.41 2.53 0.00 0.00 1.47 0.16 -3.55 116.67 112.87 1j5h s ASP 58 Ca 0.57 -0.43 0.00 0.00 1.18 0.00 0.00 52.55 53.87 1j5h s ASP 58 Cb -0.11 -1.08 0.00 0.00 -0.34 0.00 0.00 42.92 41.39 1j5h s ASP 58 CO 0.47 -0.07 0.00 0.00 0.68 0.00 0.00 175.17 176.25 1j5h n ALA 59 N 4.78 0.00 -0.27 2.11 0.00 -1.26 0.16 120.51 126.02 1j5h n ALA 59 Ca -0.16 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.42 1j5h n ALA 59 Cb 0.50 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.21 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 0.59 -0.05 0.00 0.00 3.02 -1.26 -4.02 115.26 113.54 1j5h n ASN 60 Ca 0.00 1.36 0.00 0.00 -0.03 0.00 0.00 54.58 55.91 1j5h n ASN 60 Cb 0.00 -0.51 0.00 0.00 -0.61 0.00 0.00 39.78 38.66 1j5h n ASN 60 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1j5h n GLY 61 N -1.38 0.39 3.72 7.41 0.00 0.42 -4.11 105.19 111.64 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 -0.56 0.00 0.00 0.00 173.32 172.76 1j5h s SER 62 N -0.32 7.40 0.94 1.61 0.01 -1.20 -0.99 113.70 121.14 1j5h s SER 62 Ca 0.00 1.82 -0.11 0.00 1.31 0.00 0.00 55.95 58.96 1j5h s SER 62 Cb 0.00 -2.58 0.15 0.00 0.21 0.00 0.00 66.02 63.80 1j5h s SER 62 CO 0.00 -0.18 1.09 0.00 0.41 0.00 0.00 173.24 174.57 1j5h s ALA 63 N 0.34 1.23 -0.30 1.44 0.00 -0.59 0.37 121.76 124.25 1j5h s ALA 63 Ca 0.50 0.09 -0.12 0.00 0.00 0.00 0.00 51.96 52.43 1j5h s ALA 63 Cb -0.24 -3.26 0.18 0.00 0.00 0.00 0.00 23.12 19.80 1j5h s ALA 63 CO 0.30 -2.65 1.02 -1.54 0.00 0.00 0.00 175.76 172.88 1j5h s SER 64 N -3.10 -0.52 0.00 0.00 1.04 -0.91 -0.91 113.70 109.29 1j5h s SER 64 Ca 0.65 0.26 0.00 0.00 0.48 0.00 0.00 55.95 57.33 1j5h s SER 64 Cb -0.20 1.41 0.00 0.00 0.10 0.00 0.00 66.02 67.33 1j5h s SER 64 CO 0.58 -0.10 0.00 1.07 0.98 0.00 0.00 173.24 175.78 1j5h n THR 65 N 5.40 0.00 -3.33 2.02 5.66 -0.02 -4.61 114.28 119.40 1j5h n THR 65 Ca -0.03 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.59 1j5h n THR 65 Cb 0.54 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.26 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 -1.36 6.61 -0.03 1.09 1.04 -1.26 0.12 113.70 119.90 1j5h s SER 66 Ca 0.00 0.73 0.06 0.00 0.48 0.00 0.00 55.95 57.22 1j5h s SER 66 Cb 0.00 -2.27 -0.01 0.00 0.10 0.00 0.00 66.02 63.84 1j5h s SER 66 CO 0.00 -0.03 -0.21 -0.76 0.98 0.00 0.00 173.24 173.21 1j5h s LEU 67 N 0.88 2.02 -0.95 2.42 1.02 0.66 -4.92 118.68 119.80 1j5h s LEU 67 Ca 0.24 -0.41 -0.19 0.00 0.02 0.00 0.00 54.13 53.79 1j5h s LEU 67 Cb -0.15 -1.14 0.12 0.00 0.02 0.00 0.00 46.19 45.04 1j5h s LEU 67 CO 0.09 0.23 1.19 0.28 0.02 0.00 0.00 176.35 178.17 1j5h s THR 68 N -0.30 4.59 -1.10 5.49 -1.32 -1.26 -1.68 115.64 120.06 1j5h s THR 68 Ca 0.03 -1.46 -0.17 0.00 -1.21 0.00 0.00 61.69 58.88 1j5h s THR 68 Cb -0.10 -4.83 -0.07 0.00 -1.51 0.00 0.00 72.50 65.99 1j5h s THR 68 CO 0.01 -1.59 2.12 0.52 -2.21 0.00 0.00 174.62 173.47 1j5h n VAL 69 N 5.73 2.65 -1.03 5.08 0.31 -0.71 -4.76 118.33 125.60 1j5h n VAL 69 Ca 0.26 -2.18 -0.36 0.00 -0.01 0.00 0.00 64.34 62.05 1j5h n VAL 69 Cb 0.49 -2.43 0.05 0.00 -0.91 0.00 0.00 33.84 31.04 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 6.20 -0.02 -0.05 5.55 0.00 -1.26 -3.56 116.66 123.51 1j5h n ARG 70 Ca 0.52 0.00 -0.06 0.00 -0.00 0.00 0.00 57.85 58.31 1j5h n ARG 70 Cb 0.36 -1.15 -0.02 0.00 -0.00 0.00 0.00 32.46 31.65 1j5h n ARG 70 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 1j5h n ARG 71 N 1.64 0.33 -4.47 2.89 0.63 -1.25 -4.61 116.66 111.82 1j5h n ARG 71 Ca 0.01 0.13 -0.32 0.00 -0.92 0.00 0.00 57.85 56.75 1j5h n ARG 71 Cb 0.54 -1.06 -0.11 0.00 0.45 0.00 0.00 32.46 32.28 1j5h n ARG 71 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1j5h s SER 72 N -5.45 4.54 0.00 6.15 1.04 -1.26 -0.55 113.70 118.16 1j5h s SER 72 Ca -0.18 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.07 1j5h s SER 72 Cb 0.02 -1.03 0.00 0.00 0.10 0.00 0.00 66.02 65.12 1j5h s SER 72 CO 0.27 0.28 0.00 2.22 0.98 0.00 0.00 173.24 176.99 1j5h n PHE 73 N 1.53 -0.12 -3.52 5.02 1.16 -0.37 -4.90 117.46 116.27 1j5h n PHE 73 Ca -0.15 0.00 -0.41 0.00 -1.87 0.00 0.00 57.45 55.02 1j5h n PHE 73 Cb 0.52 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.29 1j5h n PHE 73 CO 0.00 0.00 0.00 -2.00 -1.87 0.00 0.00 176.76 172.89 1j5h s GLU 74 N -1.56 3.37 0.22 3.97 -6.30 -1.24 -0.35 118.70 116.80 1j5h s GLU 74 Ca 0.00 -0.73 0.06 0.00 -2.50 0.00 0.00 54.97 51.79 1j5h s GLU 74 Cb 0.00 -3.84 -0.03 0.00 0.00 0.00 0.00 34.13 30.26 1j5h s GLU 74 CO 0.00 -0.51 0.25 0.20 0.02 0.00 0.00 175.26 175.21 1j5h s GLY 75 N 1.71 1.43 -0.01 -1.50 0.00 -1.19 -4.80 107.32 102.97 1j5h s GLY 75 Ca 0.06 -1.28 -0.01 0.00 0.00 0.00 0.00 44.72 43.48 1j5h s GLY 75 CO 0.10 -1.31 0.03 -1.36 0.00 0.00 0.00 173.10 170.56 1j5h s PHE 76 N -1.98 0.03 0.04 1.90 0.40 -0.02 0.27 117.98 118.61 1j5h s PHE 76 Ca 0.33 -0.04 -0.20 0.00 -0.60 0.00 0.00 56.93 56.42 1j5h s PHE 76 Cb -0.09 -0.03 -0.14 0.00 0.51 0.00 0.00 43.02 43.27 1j5h s PHE 76 CO 0.26 -0.07 1.35 -0.07 0.70 0.00 0.00 175.22 177.40 1j5h h LEU 77 N 5.70 0.37 0.00 -0.37 -0.00 -1.32 1.07 115.31 120.77 1j5h h LEU 77 Ca -0.26 -0.47 0.00 0.00 -0.00 0.00 0.00 57.88 57.15 1j5h h LEU 77 Cb 1.21 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 41.76 1j5h h LEU 77 CO 0.47 0.76 0.00 0.33 -0.00 0.00 0.00 178.44 180.00 1j5h n PHE 78 N -4.57 0.00 0.00 1.13 7.35 -1.24 -4.56 117.46 115.57 1j5h n PHE 78 Ca -0.06 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.63 1j5h n PHE 78 Cb 0.35 -0.11 0.00 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 0.44 0.71 0.00 -2.13 -0.08 -1.26 -5.00 116.55 109.24 1j5h n ASP 79 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1j5h n ASP 79 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 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 2.63 0.00 3.76 0.27 0.00 -1.26 -5.16 105.19 105.42 1j5h n GLY 80 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 -0.12 2.61 2.01 -1.26 -5.06 115.64 113.82 1j5h s THR 81 Ca 0.00 -0.68 -0.10 0.00 0.31 0.00 0.00 61.69 61.22 1j5h s THR 81 Cb 0.00 -1.94 0.04 0.00 0.01 0.00 0.00 72.50 70.61 1j5h s THR 81 CO 0.00 0.00 0.32 0.00 -0.69 0.00 0.00 174.62 174.25 1j5h s ARG 82 N -3.39 0.35 0.00 4.92 1.70 -1.26 -1.24 118.95 120.02 1j5h s ARG 82 Ca 0.12 0.49 0.00 0.00 -0.47 0.00 0.00 55.73 55.87 1j5h s ARG 82 Cb -0.02 0.11 0.00 0.00 -0.57 0.00 0.00 34.95 34.47 1j5h s ARG 82 CO 0.02 -0.08 0.22 1.87 -1.08 0.00 0.00 175.30 176.25 1j5h n TRP 83 N 3.27 0.00 0.00 5.89 -0.00 0.14 -4.88 117.44 121.86 1j5h n TRP 83 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.34 1j5h n TRP 83 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.88 1j5h n TRP 83 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1j5h n GLY 84 N 1.20 3.31 3.13 5.87 0.00 -0.98 -4.86 105.19 112.87 1j5h n GLY 84 Ca 0.00 -1.85 -0.38 0.00 0.00 0.00 0.00 46.02 43.79 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 -1.50 1.32 -4.46 2.61 -1.04 -1.22 -3.14 114.28 106.86 1j5h n THR 85 Ca 0.00 -1.07 -0.22 0.00 -2.04 0.00 0.00 64.05 60.72 1j5h n THR 85 Cb 0.00 -2.16 -0.10 0.00 -1.82 0.00 0.00 70.33 66.25 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 5.30 1.07 0.50 12.58 0.11 0.52 -4.76 120.40 135.72 1j5h s VAL 86 Ca 0.54 -2.00 -0.23 0.00 -2.93 0.00 0.00 61.98 57.37 1j5h s VAL 86 Cb 0.13 -2.71 -0.07 0.00 -1.53 0.00 0.00 36.38 32.20 1j5h s VAL 86 CO 0.15 0.00 1.25 0.47 -3.33 0.00 0.00 175.10 173.64 1j5h n ASP 87 N -0.78 2.29 -0.08 3.54 9.92 -1.26 -1.24 116.55 128.94 1j5h n ASP 87 Ca -0.03 1.00 -0.08 0.00 -0.53 0.00 0.00 54.79 55.15 1j5h n ASP 87 Cb 0.66 -1.51 -0.13 0.00 -0.64 0.00 0.00 41.12 39.50 1j5h n ASP 87 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1j5h h THR 89 N 0.00 0.52 0.00 0.00 1.03 -1.86 1.57 112.91 114.18 1j5h h THR 89 Ca -0.45 -0.08 -0.03 0.00 -0.01 0.00 0.00 66.41 65.83 1j5h h THR 89 Cb 2.02 0.26 -0.00 0.00 -1.07 0.00 0.00 68.15 69.35 1j5h h THR 89 CO 0.02 0.04 -0.16 0.74 -0.01 0.00 0.00 175.52 176.16 1j5h h THR 90 N 0.25 0.49 -0.49 0.00 2.02 -1.92 -1.92 112.91 111.33 1j5h h THR 90 Ca 0.54 -0.82 -0.14 0.00 0.77 0.00 0.00 66.41 66.76 1j5h h THR 90 Cb 1.66 1.57 -0.09 0.00 -1.74 0.00 0.00 68.15 69.55 1j5h h THR 90 CO -0.17 0.16 0.11 0.00 0.37 0.00 0.00 175.52 175.99 1j5h n ALA 91 N -2.23 4.01 -4.07 6.16 0.00 0.53 -4.95 120.51 119.96 1j5h n ALA 91 Ca -0.01 -2.55 -0.42 0.00 0.00 0.00 0.00 53.44 50.46 1j5h n ALA 91 Cb 0.34 -0.95 0.01 0.00 0.00 0.00 0.00 19.45 18.85 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 -0.54 -2.42 -0.47 0.00 0.00 -0.68 -2.13 120.51 114.26 1j5h n ALA 92 Ca 0.33 -0.54 -0.10 0.00 0.00 0.00 0.00 53.44 53.13 1j5h n ALA 92 Cb 1.15 -2.19 0.16 0.00 0.00 0.00 0.00 19.45 18.57 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 -3.66 1.07 -0.17 0.00 0.00 0.22 -1.92 119.66 115.19 1j5h s GLN 94 Ca 0.37 -0.17 -0.02 0.00 -0.00 0.00 0.00 55.36 55.54 1j5h s GLN 94 Cb -0.06 0.50 0.05 0.00 0.00 0.00 0.00 33.01 33.49 1j5h s GLN 94 CO 0.31 -0.42 -0.00 0.54 0.00 0.00 0.00 175.29 175.71 1j5h s VAL 95 N -2.64 0.77 0.00 3.63 0.11 -0.79 -1.11 120.40 120.37 1j5h s VAL 95 Ca -0.02 -0.56 0.00 0.00 -2.93 0.00 0.00 61.98 58.47 1j5h s VAL 95 Cb -0.01 -1.11 0.00 0.00 -1.53 0.00 0.00 36.38 33.73 1j5h s VAL 95 CO -0.04 -0.05 0.00 0.61 -3.33 0.00 0.00 175.10 172.29 1j5h n GLY 96 N 4.98 4.35 3.81 6.54 0.00 -0.11 -4.49 105.19 120.27 1j5h n GLY 96 Ca -0.10 -1.95 -0.34 0.00 0.00 0.00 0.00 46.02 43.63 1j5h n GLY 96 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1j5h s LEU 97 N 0.00 4.09 -0.31 0.99 0.05 -1.26 -1.53 118.68 120.71 1j5h s LEU 97 Ca 0.00 1.71 -0.00 0.00 0.05 0.00 0.00 54.13 55.88 1j5h s LEU 97 Cb 0.00 -4.31 0.13 0.00 -2.05 0.00 0.00 46.19 39.97 1j5h s LEU 97 CO 0.00 -0.24 0.28 -0.44 -0.55 0.00 0.00 176.35 175.40 1j5h s SER 98 N -1.98 1.91 0.56 1.48 0.01 0.18 -4.67 113.70 111.19 1j5h s SER 98 Ca 0.57 -1.04 -0.00 0.00 1.31 0.00 0.00 55.95 56.79 1j5h s SER 98 Cb -0.13 0.36 0.03 0.00 0.21 0.00 0.00 66.02 66.49 1j5h s SER 98 CO 0.17 -0.37 0.80 1.51 0.41 0.00 0.00 173.24 175.76 1j5h s ASP 99 N 2.11 5.29 -0.20 2.44 1.47 -1.26 -0.46 116.67 126.05 1j5h s ASP 99 Ca 0.11 0.11 0.00 0.00 1.18 0.00 0.00 52.55 53.95 1j5h s ASP 99 Cb -0.15 -1.01 0.18 0.00 -0.34 0.00 0.00 42.92 41.61 1j5h s ASP 99 CO -0.27 -1.15 1.75 0.00 0.68 0.00 0.00 175.17 176.18 1j5h n ALA 100 N -2.40 4.35 0.00 2.11 0.00 -1.26 -2.90 120.51 120.40 1j5h n ALA 100 Ca 0.07 -1.13 0.00 0.00 0.00 0.00 0.00 53.44 52.38 1j5h n ALA 100 Cb 0.59 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.82 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 0.39 0.00 -0.03 0.00 0.00 -1.26 -5.00 120.51 114.61 1j5h n ALA 101 Ca 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.64 1j5h n ALA 101 Cb 0.69 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.13 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 -0.05 0.00 0.00 0.00 -1.96 -3.48 103.07 97.58 1j5h h GLY 102 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1j5h h GLY 102 CO 0.00 -0.02 0.00 -2.01 0.00 0.00 0.00 176.54 174.51 1j5h n ASN 103 N -4.81 0.00 0.00 0.19 2.85 -1.14 -4.88 115.26 107.46 1j5h n ASN 103 Ca -0.01 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.46 1j5h n ASN 103 Cb 0.03 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.05 1j5h n ASN 103 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1j5h n GLY 104 N 0.00 -1.79 3.79 8.20 0.00 -1.26 -4.85 105.19 109.28 1j5h n GLY 104 Ca 0.00 -1.80 -0.35 0.00 0.00 0.00 0.00 46.02 43.88 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 3.93 0.00 1.61 0.04 -1.26 -5.03 135.00 134.29 1j5h s PRO 105 Ca 0.00 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.46 1j5h s PRO 105 Cb 0.00 -2.26 0.00 0.00 0.04 0.00 0.00 34.50 32.28 1j5h s PRO 105 CO 0.00 -0.33 0.00 0.39 0.04 0.00 0.00 177.00 177.10 1j5h n GLU 106 N -0.64 0.00 0.00 4.56 4.71 -1.26 -5.00 120.64 123.01 1j5h n GLU 106 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.23 1j5h n GLU 106 Cb 0.51 -0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.94 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 2.99 0.69 2.85 0.62 0.00 -1.26 -5.01 105.19 106.06 1j5h n GLY 107 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 2.78 -1.87 1.61 0.31 -1.26 -4.90 118.33 115.00 1j5h n VAL 108 Ca 0.00 -2.33 -0.43 0.00 -0.01 0.00 0.00 64.34 61.57 1j5h n VAL 108 Cb 0.00 -2.47 -0.03 0.00 -0.91 0.00 0.00 33.84 30.43 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 3.89 3.06 0.24 3.52 0.00 -1.26 -1.89 121.76 129.33 1j5h s ALA 109 Ca 0.52 0.64 0.10 0.00 0.00 0.00 0.00 51.96 53.22 1j5h s ALA 109 Cb 0.14 -3.95 -0.04 0.00 0.00 0.00 0.00 23.12 19.26 1j5h s ALA 109 CO -0.00 -2.30 -0.06 0.42 0.00 0.00 0.00 175.76 173.82 1j5h s ILE 110 N 6.40 3.22 -0.47 0.00 1.01 -0.81 -4.95 121.20 125.60 1j5h s ILE 110 Ca 0.84 -1.92 -0.01 0.00 0.00 0.00 0.00 60.65 59.57 1j5h s ILE 110 Cb -0.29 -2.68 0.12 0.00 0.01 0.00 0.00 42.46 39.62 1j5h s ILE 110 CO 0.34 -0.30 0.24 -0.44 0.00 0.00 0.00 174.94 174.78 1j5h s SER 111 N -3.40 5.05 -0.08 3.58 0.01 -0.42 -4.20 113.70 114.23 1j5h s SER 111 Ca 0.29 -2.39 -0.30 0.00 1.31 0.00 0.00 55.95 54.87 1j5h s SER 111 Cb -0.07 -1.78 -0.03 0.00 0.21 0.00 0.00 66.02 64.35 1j5h s SER 111 CO 0.18 -0.43 1.25 -0.36 0.41 0.00 0.00 173.24 174.28 1j5h s PHE 112 N 0.61 3.04 0.00 2.43 0.08 -1.26 -0.92 117.98 121.95 1j5h s PHE 112 Ca 0.12 1.10 0.00 0.00 0.12 0.00 0.00 56.93 58.27 1j5h s PHE 112 Cb -0.22 -3.48 0.00 0.00 -0.57 0.00 0.00 43.02 38.75 1j5h s PHE 112 CO -0.04 -1.58 0.00 0.09 -0.10 0.00 0.00 175.22 173.59