#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j5h h ALA 2 N 0.00 -0.11 -2.32 0.00 0.00 -2.01 -3.45 119.26 111.37 1j5h h ALA 2 Ca 0.00 -0.23 -0.47 0.00 0.00 0.00 0.00 54.91 54.21 1j5h h ALA 2 Cb 0.00 0.04 0.03 0.00 0.00 0.00 0.00 17.79 17.87 1j5h h ALA 2 CO 0.00 -0.14 0.38 -1.25 0.00 0.00 0.00 179.25 178.24 1j5h s PRO 3 N -2.51 3.71 0.00 0.00 0.04 -1.26 -5.05 135.00 129.93 1j5h s PRO 3 Ca -0.10 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.25 1j5h s PRO 3 Cb -0.01 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1j5h s PRO 3 CO 0.37 -0.50 0.00 0.25 0.04 0.00 0.00 177.00 177.16 1j5h n THR 4 N -1.21 0.00 -4.47 1.26 -2.24 0.18 -4.81 114.28 102.99 1j5h n THR 4 Ca 0.09 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.53 1j5h n THR 4 Cb 0.53 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.65 1j5h n THR 4 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j5h s ALA 5 N -2.00 3.13 0.10 6.98 0.00 -1.26 0.10 121.76 128.81 1j5h s ALA 5 Ca 0.00 -0.90 -0.08 0.00 0.00 0.00 0.00 51.96 50.98 1j5h s ALA 5 Cb 0.00 -1.31 -0.01 0.00 0.00 0.00 0.00 23.12 21.81 1j5h s ALA 5 CO 0.00 0.60 0.19 0.95 0.00 0.00 0.00 175.76 177.50 1j5h s THR 6 N -0.91 0.13 0.41 0.00 -4.23 -0.59 -4.16 115.64 106.29 1j5h s THR 6 Ca 0.15 -1.28 0.08 0.00 -1.18 0.00 0.00 61.69 59.46 1j5h s THR 6 Cb -0.11 -1.46 -0.01 0.00 1.34 0.00 0.00 72.50 72.26 1j5h s THR 6 CO 0.04 -0.61 0.44 0.54 -0.54 0.00 0.00 174.62 174.50 1j5h s VAL 7 N -3.89 2.90 0.07 2.29 0.11 -1.26 -1.26 120.40 119.35 1j5h s VAL 7 Ca 0.08 -1.21 -0.30 0.00 -2.93 0.00 0.00 61.98 57.62 1j5h s VAL 7 Cb 0.05 -3.03 -0.15 0.00 -1.53 0.00 0.00 36.38 31.72 1j5h s VAL 7 CO -0.09 -0.02 1.46 0.74 -3.33 0.00 0.00 175.10 173.87 1j5h h THR 8 N 0.90 0.00 -4.26 5.04 2.02 -1.57 -3.43 112.91 111.61 1j5h h THR 8 Ca -0.41 0.00 -0.47 0.00 0.77 0.00 0.00 66.41 66.29 1j5h h THR 8 Cb 1.27 0.00 0.12 0.00 -1.74 0.00 0.00 68.15 67.80 1j5h h THR 8 CO 0.53 0.00 0.31 -2.16 0.37 0.00 0.00 175.52 174.57 1j5h s PRO 9 N -5.37 1.57 0.00 6.66 0.04 -1.26 -5.00 135.00 131.64 1j5h s PRO 9 Ca -0.15 0.46 0.00 0.00 0.04 0.00 0.00 61.00 61.35 1j5h s PRO 9 Cb 0.03 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.70 1j5h s PRO 9 CO 0.50 -1.94 0.17 0.45 0.04 0.00 0.00 177.00 176.22 1j5h n SER 10 N -3.62 0.35 0.00 6.66 2.88 -1.26 -5.02 113.62 113.61 1j5h n SER 10 Ca 0.07 -0.97 0.00 0.00 -1.33 0.00 0.00 58.87 56.63 1j5h n SER 10 Cb 0.58 0.01 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 1j5h n SER 10 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1j5h n SER 11 N -0.01 0.00 0.00 -3.46 3.41 -1.25 -2.19 113.62 110.11 1j5h n SER 11 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1j5h n SER 11 Cb 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 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 -0.11 0.70 0.00 5.00 0.00 0.21 -4.89 105.19 106.10 1j5h n GLY 12 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 0.00 0.00 -3.85 0.99 4.77 -0.81 -4.85 117.00 113.25 1j5h n LEU 13 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 1j5h n LEU 13 Cb 0.34 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.42 1j5h n LEU 13 CO 0.00 0.00 0.50 -0.55 -1.33 0.00 0.00 177.39 176.01 1j5h s SER 14 N -1.37 -0.20 -0.58 -1.43 0.15 -1.23 -4.54 113.70 104.51 1j5h s SER 14 Ca 0.00 -0.72 -0.26 0.00 0.70 0.00 0.00 55.95 55.67 1j5h s SER 14 Cb 0.00 0.75 -0.05 0.00 -1.71 0.00 0.00 66.02 65.01 1j5h s SER 14 CO 0.00 -1.40 2.12 1.51 1.20 0.00 0.00 173.24 176.67 1j5h s ASP 15 N -2.96 4.85 -0.03 5.45 3.84 -1.26 -1.49 116.67 125.08 1j5h s ASP 15 Ca 0.12 0.61 -0.00 0.00 -0.00 0.00 0.00 52.55 53.28 1j5h s ASP 15 Cb -0.06 -2.52 0.00 0.00 -1.38 0.00 0.00 42.92 38.97 1j5h s ASP 15 CO 0.08 -2.66 0.01 0.61 -0.00 0.00 0.00 175.17 173.21 1j5h n GLY 16 N 5.91 0.68 3.57 2.12 0.00 0.89 -4.68 105.19 113.67 1j5h n GLY 16 Ca 0.29 -0.76 -0.21 0.00 0.00 0.00 0.00 46.02 45.35 1j5h n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j5h s THR 17 N -2.57 3.26 -0.75 2.61 2.01 -0.55 -4.19 115.64 115.45 1j5h s THR 17 Ca 0.01 -0.35 -0.26 0.00 0.31 0.00 0.00 61.69 61.40 1j5h s THR 17 Cb -0.00 -3.96 -0.03 0.00 0.01 0.00 0.00 72.50 68.51 1j5h s THR 17 CO 0.01 -0.49 1.91 -0.69 -0.69 0.00 0.00 174.62 174.66 1j5h s VAL 18 N 13.50 3.39 0.51 3.82 1.01 -1.25 -1.85 120.40 139.53 1j5h s VAL 18 Ca 0.78 -0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.72 1j5h s VAL 18 Cb -0.06 -3.96 -0.01 0.00 0.00 0.00 0.00 36.38 32.35 1j5h s VAL 18 CO 0.11 -0.92 0.11 0.68 0.00 0.00 0.00 175.10 175.08 1j5h s VAL 19 N 9.58 1.39 0.52 2.92 -7.23 -0.81 -4.84 120.40 121.92 1j5h s VAL 19 Ca 0.69 -1.86 -0.21 0.00 -1.81 0.00 0.00 61.98 58.79 1j5h s VAL 19 Cb -0.10 -2.25 -0.06 0.00 0.56 0.00 0.00 36.38 34.53 1j5h s VAL 19 CO 0.11 0.00 1.15 -0.75 -0.31 0.00 0.00 175.10 175.30 1j5h s LYS 20 N -3.97 3.48 0.00 4.82 2.20 -1.26 -0.76 119.74 124.26 1j5h s LYS 20 Ca 0.16 1.69 -0.07 0.00 -0.36 0.00 0.00 55.97 57.39 1j5h s LYS 20 Cb 0.01 -2.15 -0.00 0.00 -1.51 0.00 0.00 37.83 34.18 1j5h s LYS 20 CO 0.09 -0.76 0.12 0.54 -0.36 0.00 0.00 175.35 174.98 1j5h s VAL 21 N -1.67 0.08 0.02 4.02 0.11 0.55 -1.38 120.40 122.13 1j5h s VAL 21 Ca 0.70 -0.69 -0.18 0.00 -2.93 0.00 0.00 61.98 58.87 1j5h s VAL 21 Cb -0.26 -0.41 0.03 0.00 -1.53 0.00 0.00 36.38 34.21 1j5h s VAL 21 CO 0.30 -0.38 0.40 0.00 -3.33 0.00 0.00 175.10 172.10 1j5h s ALA 22 N -1.36 -1.00 0.00 1.54 0.00 -0.39 -0.95 121.76 119.60 1j5h s ALA 22 Ca -0.14 0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.21 1j5h s ALA 22 Cb -0.08 0.24 0.00 0.00 0.00 0.00 0.00 23.12 23.28 1j5h s ALA 22 CO 0.01 -0.39 0.00 0.41 0.00 0.00 0.00 175.76 175.79 1j5h n GLY 23 N 0.76 0.67 0.00 0.00 0.00 0.39 -1.54 105.19 105.47 1j5h n GLY 23 Ca -0.19 -2.10 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 1.12 0.00 0.33 4.61 0.00 0.29 -1.41 120.51 125.45 1j5h n ALA 24 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1j5h n ALA 24 Cb 0.00 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.61 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 -0.24 3.73 0.00 0.00 -1.26 0.47 105.19 107.89 1j5h n GLY 25 Ca 0.00 -0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.63 0.00 0.99 7.94 -1.05 -4.84 117.00 116.34 1j5h n LEU 26 Ca 0.04 -1.03 0.00 0.00 -1.11 0.00 0.00 56.01 53.91 1j5h n LEU 26 Cb 0.02 -2.33 0.00 0.00 0.53 0.00 0.00 43.42 41.64 1j5h n LEU 26 CO 0.03 0.49 0.00 1.67 -1.11 0.00 0.00 177.39 178.48 1j5h n GLN 27 N -4.26 0.00 0.00 1.96 7.27 0.09 -4.50 117.38 117.93 1j5h n GLN 27 Ca -0.11 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.96 1j5h n GLN 27 Cb 0.60 0.00 0.00 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 n ALA 28 N -3.00 0.00 -1.74 1.69 0.00 -1.26 -3.56 120.51 112.64 1j5h n ALA 28 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1j5h n ALA 28 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 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 0.00 3.91 0.00 0.00 -1.24 -4.87 105.19 102.99 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 -1.75 5.00 0.53 2.61 2.01 -1.26 -4.53 115.64 118.24 1j5h s THR 30 Ca 0.00 0.02 -0.21 0.00 0.31 0.00 0.00 61.69 61.81 1j5h s THR 30 Cb 0.00 -3.78 -0.06 0.00 0.01 0.00 0.00 72.50 68.67 1j5h s THR 30 CO 0.00 -0.47 1.21 0.00 -0.69 0.00 0.00 174.62 174.67 1j5h s ALA 31 N -2.26 2.78 -0.43 7.40 0.00 -1.26 -1.51 121.76 126.48 1j5h s ALA 31 Ca 0.44 1.01 0.05 0.00 0.00 0.00 0.00 51.96 53.46 1j5h s ALA 31 Cb -0.10 -3.43 0.18 0.00 0.00 0.00 0.00 23.12 19.77 1j5h s ALA 31 CO 0.34 -0.94 0.45 0.66 0.00 0.00 0.00 175.76 176.26 1j5h n TYR 32 N -1.02 -1.51 -1.67 0.00 4.01 0.22 -4.90 117.16 112.29 1j5h n TYR 32 Ca 0.10 -2.92 -0.57 0.00 -0.16 0.00 0.00 57.90 54.36 1j5h n TYR 32 Cb 0.48 0.47 -0.07 0.00 -0.31 0.00 0.00 39.34 39.92 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 2.69 2.38 -4.75 7.72 2.03 -0.92 -1.76 116.55 123.94 1j5h n ASP 33 Ca 0.26 0.99 -0.37 0.00 0.52 0.00 0.00 54.79 56.19 1j5h n ASP 33 Cb 0.50 -1.16 0.03 0.00 -0.72 0.00 0.00 41.12 39.78 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 4.04 2.34 -0.00 5.18 1.01 0.27 0.20 120.40 133.44 1j5h s VAL 34 Ca 1.00 0.24 0.02 0.00 0.00 0.00 0.00 61.98 63.25 1j5h s VAL 34 Cb -1.04 -3.12 -0.01 0.00 0.00 0.00 0.00 36.38 32.21 1j5h s VAL 34 CO 0.64 -0.02 -0.08 -0.83 0.00 0.00 0.00 175.10 174.81 1j5h s GLY 35 N -1.20 0.39 -0.12 4.51 0.00 0.10 -4.35 107.32 106.66 1j5h s GLY 35 Ca 0.73 -0.36 -0.01 0.00 0.00 0.00 0.00 44.72 45.08 1j5h s GLY 35 CO 0.42 -0.31 -0.04 1.20 0.00 0.00 0.00 173.10 174.37 1j5h s GLN 36 N -0.26 1.14 0.31 2.90 -1.52 -1.26 -1.50 119.66 119.48 1j5h s GLN 36 Ca 0.02 -0.22 0.03 0.00 -1.95 0.00 0.00 55.36 53.25 1j5h s GLN 36 Cb -0.03 -1.55 -0.06 0.00 -0.22 0.00 0.00 33.01 31.15 1j5h s GLN 36 CO -0.00 -0.35 0.07 0.00 -0.25 0.00 0.00 175.29 174.76 1j5h s ALA 38 N -3.41 1.04 -0.44 0.00 0.00 0.18 -0.39 121.76 118.74 1j5h s ALA 38 Ca 0.36 -0.63 -0.27 0.00 0.00 0.00 0.00 51.96 51.42 1j5h s ALA 38 Cb 0.08 -1.10 0.03 0.00 0.00 0.00 0.00 23.12 22.13 1j5h s ALA 38 CO 0.15 -0.99 1.04 1.67 0.00 0.00 0.00 175.76 177.63 1j5h s TRP 39 N 1.84 2.92 0.00 0.00 1.48 -1.24 0.47 118.94 124.41 1j5h s TRP 39 Ca 0.00 0.67 0.00 0.00 -1.06 0.00 0.00 56.10 55.72 1j5h s TRP 39 Cb -0.16 -4.11 0.00 0.00 -1.16 0.00 0.00 33.47 28.04 1j5h s TRP 39 CO -0.07 -1.10 0.00 0.28 -4.06 0.00 0.00 176.95 171.99 1j5h n VAL 40 N 6.49 0.00 -0.81 -0.66 0.31 0.41 -4.56 118.33 119.52 1j5h n VAL 40 Ca 0.10 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.24 1j5h n VAL 40 Cb 0.48 -0.03 0.06 0.00 -0.91 0.00 0.00 33.84 33.44 1j5h n VAL 40 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1j5h n ASP 41 N 0.00 5.93 0.00 4.52 10.43 -1.25 -4.88 116.55 131.30 1j5h n ASP 41 Ca 0.00 -3.13 0.00 0.00 2.57 0.00 0.00 54.79 54.23 1j5h n ASP 41 Cb 0.00 -0.96 0.00 0.00 1.84 0.00 0.00 41.12 42.00 1j5h n ASP 41 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 177.20 176.54 1j5h n THR 42 N -0.02 0.00 0.19 -3.53 -1.04 -1.26 -4.24 114.28 104.38 1j5h n THR 42 Ca 0.36 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.49 1j5h n THR 42 Cb 0.73 0.00 0.65 0.00 -1.82 0.00 0.00 70.33 69.89 1j5h n THR 42 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1j5h h GLY 43 N 0.00 0.00 -5.38 3.41 0.00 -1.99 -3.39 103.07 95.72 1j5h h GLY 43 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.82 1j5h h GLY 43 CO 0.00 0.00 -0.82 0.14 0.00 0.00 0.00 176.54 175.86 1j5h s VAL 44 N -3.61 1.18 -0.26 4.60 1.01 -1.26 -5.08 120.40 116.98 1j5h s VAL 44 Ca -0.03 -0.58 -0.03 0.00 0.00 0.00 0.00 61.98 61.34 1j5h s VAL 44 Cb 0.07 -1.02 0.09 0.00 0.00 0.00 0.00 36.38 35.51 1j5h s VAL 44 CO 0.22 0.35 0.10 -0.22 0.00 0.00 0.00 175.10 175.55 1j5h s LEU 45 N 0.10 1.00 -0.93 3.92 0.20 -1.23 -0.44 118.68 121.30 1j5h s LEU 45 Ca -0.03 -1.18 -0.24 0.00 0.69 0.00 0.00 54.13 53.36 1j5h s LEU 45 Cb -0.10 -0.49 0.04 0.00 -0.43 0.00 0.00 46.19 45.20 1j5h s LEU 45 CO 0.01 -0.40 1.45 0.00 -0.29 0.00 0.00 176.35 177.12 1j5h s ALA 46 N 1.96 2.64 0.40 5.97 0.00 0.18 -4.22 121.76 128.68 1j5h s ALA 46 Ca 0.06 -1.93 -0.21 0.00 0.00 0.00 0.00 51.96 49.89 1j5h s ALA 46 Cb -0.16 -4.45 -0.11 0.00 0.00 0.00 0.00 23.12 18.40 1j5h s ALA 46 CO -0.25 -3.62 0.92 0.00 0.00 0.00 0.00 175.76 172.81 1j5h s ASN 48 N -2.12 5.07 0.00 0.00 3.84 0.21 0.42 114.94 122.37 1j5h s ASN 48 Ca 0.59 -2.99 0.00 0.00 0.21 0.00 0.00 52.86 50.67 1j5h s ASN 48 Cb -0.10 -1.81 0.00 0.00 -0.55 0.00 0.00 41.25 38.79 1j5h s ASN 48 CO 0.15 -0.32 1.11 -0.81 -2.79 0.00 0.00 177.10 174.45 1j5h n PRO 49 N 3.27 0.75 0.00 0.43 -0.04 -1.26 -2.03 135.00 136.11 1j5h n PRO 49 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1j5h n PRO 49 Cb 0.36 -1.13 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 1.12 1.06 -0.29 0.55 0.00 -1.26 -4.83 120.51 116.86 1j5h n ALA 50 Ca 0.00 -0.37 0.05 0.00 0.00 0.00 0.00 53.44 53.11 1j5h n ALA 50 Cb 0.37 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.95 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 -0.69 0.00 0.00 3.04 -1.70 -3.43 116.42 113.65 1j5h h ASP 51 Ca 0.00 0.25 0.00 0.00 -3.24 0.00 0.00 57.03 54.04 1j5h h ASP 51 Cb 0.52 0.49 0.00 0.00 -1.04 0.00 0.00 39.33 39.30 1j5h h ASP 51 CO 0.00 -0.27 0.00 0.33 -2.04 0.00 0.00 179.24 177.26 1j5h n PHE 52 N -5.51 0.00 -0.72 4.15 7.35 -1.26 -4.91 117.46 116.56 1j5h n PHE 52 Ca 0.14 0.00 -0.24 0.00 -0.76 0.00 0.00 57.45 56.59 1j5h n PHE 52 Cb 0.46 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 40.29 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 1.87 -1.29 -3.87 -2.13 7.64 -1.26 -4.55 113.62 110.04 1j5h n SER 53 Ca 0.00 0.49 -0.13 0.00 1.01 0.00 0.00 58.87 60.25 1j5h n SER 53 Cb 0.00 -0.49 -0.14 0.00 -1.01 0.00 0.00 64.21 62.57 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 -0.54 0.04 0.13 6.43 1.04 -1.26 0.95 113.70 120.48 1j5h s SER 54 Ca 0.33 -0.00 0.06 0.00 0.48 0.00 0.00 55.95 56.82 1j5h s SER 54 Cb -0.39 -0.01 -0.04 0.00 0.10 0.00 0.00 66.02 65.68 1j5h s SER 54 CO 0.33 -0.01 -0.14 0.54 0.98 0.00 0.00 173.24 174.94 1j5h s VAL 55 N 0.10 1.35 0.15 5.02 0.11 -0.72 -4.81 120.40 121.59 1j5h s VAL 55 Ca -0.01 -1.75 0.08 0.00 -2.93 0.00 0.00 61.98 57.38 1j5h s VAL 55 Cb -0.01 -1.56 -0.04 0.00 -1.53 0.00 0.00 36.38 33.23 1j5h s VAL 55 CO -0.00 -0.43 -0.11 -0.89 -3.33 0.00 0.00 175.10 170.34 1j5h s THR 56 N -2.19 3.21 0.70 5.04 2.01 -1.26 0.70 115.64 123.85 1j5h s THR 56 Ca 0.10 -1.52 -0.06 0.00 0.31 0.00 0.00 61.69 60.52 1j5h s THR 56 Cb -0.05 -2.55 0.06 0.00 0.01 0.00 0.00 72.50 69.98 1j5h s THR 56 CO 0.03 -0.01 1.01 0.00 -0.69 0.00 0.00 174.62 174.95 1j5h s ALA 57 N -1.48 3.17 -0.13 7.40 0.00 -0.57 -2.18 121.76 127.99 1j5h s ALA 57 Ca 0.23 -0.93 -0.00 0.00 0.00 0.00 0.00 51.96 51.26 1j5h s ALA 57 Cb -0.10 -2.59 0.03 0.00 0.00 0.00 0.00 23.12 20.46 1j5h s ALA 57 CO 0.14 -1.28 -0.08 0.16 0.00 0.00 0.00 175.76 174.70 1j5h s ASP 58 N -4.51 2.35 0.00 0.00 1.47 0.22 -3.58 116.67 112.61 1j5h s ASP 58 Ca 0.60 -0.39 0.00 0.00 1.18 0.00 0.00 52.55 53.94 1j5h s ASP 58 Cb -0.11 -0.88 0.00 0.00 -0.34 0.00 0.00 42.92 41.59 1j5h s ASP 58 CO 0.45 -0.13 0.00 0.00 0.68 0.00 0.00 175.17 176.17 1j5h n ALA 59 N 4.92 0.00 -0.27 2.11 0.00 -1.26 0.14 120.51 126.14 1j5h n ALA 59 Ca -0.13 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.47 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 -1.71 0.00 0.00 0.00 177.50 175.79 1j5h n ASN 60 N 0.66 0.00 0.00 0.00 2.85 -1.26 -4.00 115.26 113.51 1j5h n ASN 60 Ca 0.00 1.35 0.00 0.00 -0.11 0.00 0.00 54.58 55.82 1j5h n ASN 60 Cb 0.00 -0.53 0.00 0.00 1.24 0.00 0.00 39.78 40.49 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 -1.35 0.43 3.73 8.20 0.00 0.37 -4.21 105.19 112.36 1j5h n GLY 61 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 1j5h n GLY 61 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1j5h s SER 62 N -0.26 7.38 0.76 1.61 0.15 -1.20 -0.73 113.70 121.40 1j5h s SER 62 Ca 0.00 1.93 -0.11 0.00 0.70 0.00 0.00 55.95 58.48 1j5h s SER 62 Cb 0.00 -2.59 0.05 0.00 -1.71 0.00 0.00 66.02 61.76 1j5h s SER 62 CO 0.00 -0.15 1.08 0.00 1.20 0.00 0.00 173.24 175.37 1j5h s ALA 63 N -0.05 2.35 -0.30 5.45 0.00 -0.50 0.69 121.76 129.40 1j5h s ALA 63 Ca 0.49 0.19 -0.01 0.00 0.00 0.00 0.00 51.96 52.63 1j5h s ALA 63 Cb -0.26 -3.24 0.19 0.00 0.00 0.00 0.00 23.12 19.81 1j5h s ALA 63 CO 0.32 -1.63 0.67 -1.54 0.00 0.00 0.00 175.76 173.58 1j5h s SER 64 N -3.52 -1.30 -0.02 0.00 1.04 -0.92 -0.46 113.70 108.52 1j5h s SER 64 Ca 0.60 0.59 -0.06 0.00 0.48 0.00 0.00 55.95 57.56 1j5h s SER 64 Cb -0.16 2.00 0.02 0.00 0.10 0.00 0.00 66.02 67.98 1j5h s SER 64 CO 0.56 -0.24 0.27 1.07 0.98 0.00 0.00 173.24 175.87 1j5h n THR 65 N 5.42 0.00 -3.77 2.02 5.66 -0.12 -4.62 114.28 118.87 1j5h n THR 65 Ca 0.00 -0.01 -0.35 0.00 -3.05 0.00 0.00 64.05 60.64 1j5h n THR 65 Cb 0.52 0.10 -0.09 0.00 -1.55 0.00 0.00 70.33 69.32 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 -1.58 6.06 -0.11 1.09 0.01 -1.26 0.21 113.70 118.12 1j5h s SER 66 Ca 0.06 0.17 -0.00 0.00 1.31 0.00 0.00 55.95 57.48 1j5h s SER 66 Cb -0.00 -2.07 -0.03 0.00 0.21 0.00 0.00 66.02 64.14 1j5h s SER 66 CO -0.00 0.15 -0.08 -0.76 0.41 0.00 0.00 173.24 172.95 1j5h s LEU 67 N 0.55 3.06 -0.80 2.44 1.43 0.06 -4.88 118.68 120.54 1j5h s LEU 67 Ca 0.07 -0.14 -0.26 0.00 -1.03 0.00 0.00 54.13 52.77 1j5h s LEU 67 Cb -0.12 -1.69 0.03 0.00 0.03 0.00 0.00 46.19 44.45 1j5h s LEU 67 CO 0.00 0.26 1.31 0.28 0.23 0.00 0.00 176.35 178.43 1j5h s THR 68 N -0.20 3.77 -0.57 5.49 -1.32 -1.26 -1.93 115.64 119.61 1j5h s THR 68 Ca 0.02 0.17 -0.16 0.00 -1.21 0.00 0.00 61.69 60.51 1j5h s THR 68 Cb -0.13 -4.95 -0.14 0.00 -1.51 0.00 0.00 72.50 65.77 1j5h s THR 68 CO 0.03 -1.87 1.79 0.52 -2.21 0.00 0.00 174.62 172.88 1j5h n VAL 69 N 6.48 1.43 -1.69 5.08 0.31 -0.77 -4.68 118.33 124.48 1j5h n VAL 69 Ca 0.09 -1.06 -0.43 0.00 -0.01 0.00 0.00 64.34 62.93 1j5h n VAL 69 Cb 0.49 -2.10 -0.03 0.00 -0.91 0.00 0.00 33.84 31.29 1j5h n VAL 69 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1j5h n ARG 70 N 6.11 2.64 0.00 5.55 1.74 -1.26 -0.08 116.66 131.36 1j5h n ARG 70 Ca 0.41 0.96 0.00 0.00 -0.77 0.00 0.00 57.85 58.45 1j5h n ARG 70 Cb 0.27 -2.81 0.00 0.00 -1.02 0.00 0.00 32.46 28.90 1j5h n ARG 70 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1j5h n ARG 71 N 4.82 0.00 -2.39 5.56 0.63 -1.26 -4.59 116.66 119.43 1j5h n ARG 71 Ca 0.18 0.25 -0.43 0.00 -0.92 0.00 0.00 57.85 56.92 1j5h n ARG 71 Cb 0.35 -0.72 -0.02 0.00 0.45 0.00 0.00 32.46 32.52 1j5h n ARG 71 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1j5h s SER 72 N -3.04 6.45 0.15 6.15 0.15 -1.26 -1.42 113.70 120.88 1j5h s SER 72 Ca 0.00 0.89 -0.01 0.00 0.70 0.00 0.00 55.95 57.53 1j5h s SER 72 Cb 0.00 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.73 1j5h s SER 72 CO 0.00 -1.33 0.06 -0.36 1.20 0.00 0.00 173.24 172.82 1j5h s PHE 73 N 5.06 0.96 -0.74 3.44 0.40 -0.77 -4.88 117.98 121.45 1j5h s PHE 73 Ca 0.59 -1.23 0.04 0.00 -0.60 0.00 0.00 56.93 55.72 1j5h s PHE 73 Cb -0.14 -0.52 0.25 0.00 0.51 0.00 0.00 43.02 43.12 1j5h s PHE 73 CO 0.30 -0.50 0.85 -0.85 0.70 0.00 0.00 175.22 175.72 1j5h n GLU 74 N -0.14 2.80 -2.28 0.44 0.28 -1.26 0.05 120.64 120.54 1j5h n GLU 74 Ca -0.04 -4.63 -0.33 0.00 -0.16 0.00 0.00 57.16 52.00 1j5h n GLU 74 Cb 0.64 -2.32 -0.01 0.00 1.43 0.00 0.00 31.44 31.18 1j5h n GLU 74 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1j5h s GLY 75 N -2.10 2.29 -0.15 -1.84 0.00 -1.26 -4.62 107.32 99.63 1j5h s GLY 75 Ca 0.36 0.48 -0.07 0.00 0.00 0.00 0.00 44.72 45.49 1j5h s GLY 75 CO -0.02 0.79 0.09 -0.11 0.00 0.00 0.00 173.10 173.85 1j5h s PHE 76 N -2.26 3.36 0.05 1.90 -0.71 0.17 -1.66 117.98 118.83 1j5h s PHE 76 Ca 0.65 0.26 -0.09 0.00 -1.04 0.00 0.00 56.93 56.71 1j5h s PHE 76 Cb -0.16 -2.01 -0.02 0.00 -1.21 0.00 0.00 43.02 39.62 1j5h s PHE 76 CO 0.29 0.39 1.06 1.28 -1.34 0.00 0.00 175.22 176.91 1j5h n LEU 77 N 2.88 -0.31 0.00 -1.99 4.32 0.15 -1.42 117.00 120.63 1j5h n LEU 77 Ca -0.18 1.13 0.00 0.00 -0.02 0.00 0.00 56.01 56.95 1j5h n LEU 77 Cb 0.53 -0.38 0.00 0.00 -1.62 0.00 0.00 43.42 41.96 1j5h n LEU 77 CO 0.33 -0.73 0.00 0.33 -1.22 0.00 0.00 177.39 176.10 1j5h n PHE 78 N -3.62 0.00 -0.06 -1.77 -0.00 -1.26 -3.56 117.46 107.19 1j5h n PHE 78 Ca 0.01 0.00 -0.16 0.00 -0.00 0.00 0.00 57.45 57.30 1j5h n PHE 78 Cb 0.08 0.00 -0.14 0.00 -0.00 0.00 0.00 39.48 39.42 1j5h n PHE 78 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 1j5h n ASP 79 N 0.00 1.45 0.00 -2.13 10.43 -1.26 -4.97 116.55 120.07 1j5h n ASP 79 Ca 0.00 0.10 0.00 0.00 2.57 0.00 0.00 54.79 57.46 1j5h n ASP 79 Cb 0.00 -0.22 0.00 0.00 1.84 0.00 0.00 41.12 42.74 1j5h n ASP 79 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1j5h n GLY 80 N 1.95 0.26 3.70 0.44 0.00 -1.26 -5.15 105.19 105.13 1j5h n GLY 80 Ca -0.34 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 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 2.05 -0.07 2.61 2.01 -1.26 -4.80 115.64 116.17 1j5h s THR 81 Ca 0.00 0.02 -0.04 0.00 0.31 0.00 0.00 61.69 61.98 1j5h s THR 81 Cb 0.00 -2.49 0.03 0.00 0.01 0.00 0.00 72.50 70.05 1j5h s THR 81 CO 0.00 -0.01 0.17 0.00 -0.69 0.00 0.00 174.62 174.08 1j5h s ARG 82 N -4.06 0.14 -0.00 4.92 1.04 -1.26 0.29 118.95 120.03 1j5h s ARG 82 Ca 0.74 0.35 -0.05 0.00 -1.04 0.00 0.00 55.73 55.73 1j5h s ARG 82 Cb -0.30 -0.08 -0.03 0.00 -2.04 0.00 0.00 34.95 32.51 1j5h s ARG 82 CO 0.49 -0.12 0.68 -1.49 -0.04 0.00 0.00 175.30 174.82 1j5h h TRP 83 N 6.79 -0.17 0.00 5.89 4.06 -1.62 -3.48 115.95 127.42 1j5h h TRP 83 Ca -0.37 -0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.58 1j5h h TRP 83 Cb 1.16 0.05 0.00 0.00 -1.00 0.00 0.00 29.16 29.38 1j5h h TRP 83 CO 0.41 -0.10 0.00 0.41 -3.56 0.00 0.00 178.44 175.60 1j5h n GLY 84 N 0.09 0.51 2.97 1.49 0.00 -1.26 -4.79 105.19 104.19 1j5h n GLY 84 Ca -0.02 -1.36 -0.13 0.00 0.00 0.00 0.00 46.02 44.50 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 1.60 -0.22 -3.43 2.61 5.66 -1.12 -4.81 114.28 114.57 1j5h n THR 85 Ca 0.00 -0.11 -0.37 0.00 -3.05 0.00 0.00 64.05 60.52 1j5h n THR 85 Cb 0.00 -0.30 -0.06 0.00 -1.55 0.00 0.00 70.33 68.42 1j5h n THR 85 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1j5h s VAL 86 N -2.85 4.93 -0.92 1.08 0.11 0.11 -4.77 120.40 118.10 1j5h s VAL 86 Ca 0.13 0.86 -0.24 0.00 -2.93 0.00 0.00 61.98 59.79 1j5h s VAL 86 Cb -0.07 -3.75 -0.03 0.00 -1.53 0.00 0.00 36.38 31.00 1j5h s VAL 86 CO 0.38 0.45 1.83 -1.81 -3.33 0.00 0.00 175.10 172.62 1j5h s ASP 87 N -1.34 5.44 0.47 3.54 1.11 -1.26 -1.86 116.67 122.78 1j5h s ASP 87 Ca 0.30 -0.82 0.22 0.00 0.18 0.00 0.00 52.55 52.43 1j5h s ASP 87 Cb -0.16 -2.56 1.24 0.00 1.07 0.00 0.00 42.92 42.50 1j5h s ASP 87 CO 0.17 -2.46 1.91 0.00 1.18 0.00 0.00 175.17 175.96 1j5h h THR 89 N 0.22 1.20 0.00 0.00 1.03 -1.86 1.01 112.91 114.52 1j5h h THR 89 Ca 0.39 -0.75 -0.05 0.00 -0.01 0.00 0.00 66.41 65.98 1j5h h THR 89 Cb 1.18 0.77 -0.01 0.00 -1.07 0.00 0.00 68.15 69.02 1j5h h THR 89 CO -0.08 0.27 -0.25 0.74 -0.01 0.00 0.00 175.52 176.19 1j5h h THR 90 N 0.66 1.07 -0.57 0.00 2.02 -0.05 -1.97 112.91 114.08 1j5h h THR 90 Ca 0.15 -0.89 -0.30 0.00 0.77 0.00 0.00 66.41 66.13 1j5h h THR 90 Cb 0.28 1.49 -0.18 0.00 -1.74 0.00 0.00 68.15 68.00 1j5h h THR 90 CO 0.00 0.25 0.13 0.00 0.37 0.00 0.00 175.52 176.27 1j5h n ALA 91 N -2.44 4.79 -3.86 6.16 0.00 -0.62 -4.94 120.51 119.61 1j5h n ALA 91 Ca -0.02 -3.12 -0.26 0.00 0.00 0.00 0.00 53.44 50.04 1j5h n ALA 91 Cb 0.31 -0.96 -0.04 0.00 0.00 0.00 0.00 19.45 18.77 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 -1.12 -1.87 -0.56 0.00 0.00 -0.57 -3.67 120.51 112.72 1j5h n ALA 92 Ca 0.42 -0.35 -0.08 0.00 0.00 0.00 0.00 53.44 53.44 1j5h n ALA 92 Cb 1.20 -1.05 0.13 0.00 0.00 0.00 0.00 19.45 19.74 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 -3.33 0.42 -0.36 0.00 0.00 0.48 -1.68 119.66 115.19 1j5h s GLN 94 Ca 0.31 -0.77 0.00 0.00 -0.00 0.00 0.00 55.36 54.90 1j5h s GLN 94 Cb -0.05 0.15 0.14 0.00 0.00 0.00 0.00 33.01 33.25 1j5h s GLN 94 CO 0.26 -0.08 0.22 0.54 0.00 0.00 0.00 175.29 176.23 1j5h s VAL 95 N -2.18 0.16 0.00 3.63 0.11 -0.75 -1.74 120.40 119.63 1j5h s VAL 95 Ca -0.09 -1.80 0.00 0.00 -2.93 0.00 0.00 61.98 57.16 1j5h s VAL 95 Cb -0.05 -1.13 0.00 0.00 -1.53 0.00 0.00 36.38 33.68 1j5h s VAL 95 CO -0.03 -1.01 0.00 0.61 -3.33 0.00 0.00 175.10 171.33 1j5h n GLY 96 N 3.93 6.37 3.90 6.54 0.00 -0.56 -4.05 105.19 121.33 1j5h n GLY 96 Ca 0.14 -2.09 -0.28 0.00 0.00 0.00 0.00 46.02 43.78 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 3.69 -0.23 0.99 -0.00 -1.26 0.01 118.68 121.88 1j5h s LEU 97 Ca 0.00 0.95 -0.03 0.00 -0.00 0.00 0.00 54.13 55.05 1j5h s LEU 97 Cb 0.00 -3.88 0.12 0.00 -0.00 0.00 0.00 46.19 42.42 1j5h s LEU 97 CO 0.00 -0.52 0.31 -0.44 -0.00 0.00 0.00 176.35 175.69 1j5h s SER 98 N -3.88 0.84 0.88 1.48 0.01 0.53 -4.49 113.70 109.06 1j5h s SER 98 Ca 0.48 -0.06 -0.12 0.00 1.31 0.00 0.00 55.95 57.56 1j5h s SER 98 Cb -0.10 0.76 0.12 0.00 0.21 0.00 0.00 66.02 67.01 1j5h s SER 98 CO 0.41 -0.32 1.12 1.51 0.41 0.00 0.00 173.24 176.37 1j5h s ASP 99 N 2.44 3.74 -0.19 2.44 1.47 -1.26 -2.17 116.67 123.13 1j5h s ASP 99 Ca 0.10 1.12 0.00 0.00 1.18 0.00 0.00 52.55 54.95 1j5h s ASP 99 Cb -0.15 -1.76 0.19 0.00 -0.34 0.00 0.00 42.92 40.86 1j5h s ASP 99 CO -0.16 -2.42 1.68 0.00 0.68 0.00 0.00 175.17 174.95 1j5h n ALA 100 N -3.70 4.21 0.00 2.11 0.00 -1.26 -3.06 120.51 118.81 1j5h n ALA 100 Ca 0.07 -1.10 0.00 0.00 0.00 0.00 0.00 53.44 52.40 1j5h n ALA 100 Cb 0.58 -1.21 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 0.31 0.00 0.02 0.00 0.00 -1.26 -5.00 120.51 114.59 1j5h n ALA 101 Ca 0.21 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.63 1j5h n ALA 101 Cb 0.73 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.16 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 -0.15 0.00 0.00 0.00 -1.94 -3.48 103.07 97.50 1j5h h GLY 102 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1j5h h GLY 102 CO 0.00 -0.05 0.00 1.16 0.00 0.00 0.00 176.54 177.65 1j5h n ASN 103 N -4.08 0.00 0.00 0.19 0.23 -1.17 -4.91 115.26 105.52 1j5h n ASN 103 Ca -0.02 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.03 1j5h n ASN 103 Cb 0.06 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.76 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 -0.58 3.55 4.83 0.00 -1.26 -4.76 105.19 106.97 1j5h n GLY 104 Ca 0.00 -1.76 -0.39 0.00 0.00 0.00 0.00 46.02 43.87 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 -1.27 2.94 0.00 1.61 0.04 -1.26 -4.52 135.00 132.54 1j5h s PRO 105 Ca 0.00 0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.05 1j5h s PRO 105 Cb 0.00 -4.45 0.00 0.00 0.04 0.00 0.00 34.50 30.09 1j5h s PRO 105 CO 0.00 -2.50 0.61 0.39 0.04 0.00 0.00 177.00 175.54 1j5h n GLU 106 N 9.21 0.00 -1.50 4.56 1.02 -1.26 -5.13 120.64 127.54 1j5h n GLU 106 Ca 0.16 -0.29 -0.29 0.00 -0.02 0.00 0.00 57.16 56.72 1j5h n GLU 106 Cb 0.50 -0.15 0.19 0.00 -0.02 0.00 0.00 31.44 31.96 1j5h n GLU 106 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1j5h s GLY 107 N -0.28 1.64 -0.56 0.62 0.00 -1.26 -4.75 107.32 102.73 1j5h s GLY 107 Ca 0.00 -0.87 -0.21 0.00 0.00 0.00 0.00 44.72 43.64 1j5h s GLY 107 CO 0.00 -0.14 0.77 0.54 0.00 0.00 0.00 173.10 174.27 1j5h s VAL 108 N -3.37 4.66 -0.48 1.40 0.11 -1.26 -4.74 120.40 116.72 1j5h s VAL 108 Ca 0.69 -0.40 -0.28 0.00 -2.93 0.00 0.00 61.98 59.06 1j5h s VAL 108 Cb -0.10 -4.46 -0.00 0.00 -1.53 0.00 0.00 36.38 30.29 1j5h s VAL 108 CO 0.54 -1.06 1.61 0.00 -3.33 0.00 0.00 175.10 172.86 1j5h s ALA 109 N 3.19 2.74 0.08 1.54 0.00 -1.26 -1.81 121.76 126.25 1j5h s ALA 109 Ca 0.19 -0.31 0.05 0.00 0.00 0.00 0.00 51.96 51.89 1j5h s ALA 109 Cb -0.18 -4.09 -0.03 0.00 0.00 0.00 0.00 23.12 18.82 1j5h s ALA 109 CO 0.12 -2.94 -0.14 0.42 0.00 0.00 0.00 175.76 173.22 1j5h s ILE 110 N 6.77 1.16 -0.61 0.00 1.01 -0.68 -4.96 121.20 123.89 1j5h s ILE 110 Ca 0.65 -1.40 -0.27 0.00 0.00 0.00 0.00 60.65 59.63 1j5h s ILE 110 Cb -0.15 -1.18 -0.02 0.00 0.01 0.00 0.00 42.46 41.12 1j5h s ILE 110 CO 0.28 -0.27 1.80 -0.55 0.00 0.00 0.00 174.94 176.19 1j5h s SER 111 N -1.91 5.39 -0.00 3.58 0.15 -0.93 -4.17 113.70 115.80 1j5h s SER 111 Ca 0.01 0.30 0.01 0.00 0.70 0.00 0.00 55.95 56.97 1j5h s SER 111 Cb -0.09 -2.53 0.04 0.00 -1.71 0.00 0.00 66.02 61.73 1j5h s SER 111 CO 0.02 -2.29 0.93 0.49 1.20 0.00 0.00 173.24 173.59 1j5h n PHE 112 N 12.28 0.07 0.00 3.44 3.01 -1.26 0.65 117.46 135.65 1j5h n PHE 112 Ca 0.19 -0.03 0.00 0.00 1.01 0.00 0.00 57.45 58.62 1j5h n PHE 112 Cb 0.52 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 39.96 1j5h n PHE 112 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06