#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a75 n PHE 2 N 0.00 0.26 -1.67 0.00 3.01 -1.26 -4.84 117.46 112.96 1a75 n PHE 2 Ca 0.00 -0.12 -0.42 0.00 1.01 0.00 0.00 57.45 57.92 1a75 n PHE 2 Cb 0.00 -0.03 -0.03 0.00 -0.01 0.00 0.00 39.48 39.41 1a75 n PHE 2 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1a75 s ALA 3 N -1.72 3.62 -0.80 4.37 0.00 -1.26 -1.85 121.76 124.13 1a75 s ALA 3 Ca 0.11 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.44 1a75 s ALA 3 Cb 0.06 -3.83 0.00 0.00 0.00 0.00 0.00 23.12 19.35 1a75 s ALA 3 CO 0.07 -1.50 0.00 0.41 0.00 0.00 0.00 175.76 174.74 1a75 n GLY 4 N 4.49 -0.07 0.36 0.00 0.00 0.11 -4.65 105.19 105.43 1a75 n GLY 4 Ca 0.19 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.28 1a75 n GLY 4 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1a75 h ILE 5 N 0.00 0.98 -0.60 -0.61 3.07 -1.18 -1.15 117.51 118.03 1a75 h ILE 5 Ca -0.20 -0.30 -0.19 0.00 1.55 0.00 0.00 64.86 65.72 1a75 h ILE 5 Cb 0.96 0.02 -0.11 0.00 -0.27 0.00 0.00 36.82 37.42 1a75 h ILE 5 CO 0.25 0.16 0.18 0.18 -1.05 0.00 0.00 178.15 177.87 1a75 n LEU 6 N -4.52 5.39 -4.76 0.16 4.77 -0.54 -5.02 117.00 112.49 1a75 n LEU 6 Ca 0.15 -3.30 -0.36 0.00 -0.03 0.00 0.00 56.01 52.47 1a75 n LEU 6 Cb 0.29 -0.70 0.02 0.00 -2.33 0.00 0.00 43.42 40.70 1a75 n LEU 6 CO 0.32 0.87 0.82 0.00 -1.33 0.00 0.00 177.39 178.07 1a75 s ALA 7 N -3.03 2.65 0.35 -1.18 0.00 -0.43 -4.70 121.76 115.42 1a75 s ALA 7 Ca 0.51 0.95 -0.16 0.00 0.00 0.00 0.00 51.96 53.26 1a75 s ALA 7 Cb 0.42 -3.41 0.06 0.00 0.00 0.00 0.00 23.12 20.19 1a75 s ALA 7 CO 0.10 -0.97 0.82 -0.40 0.00 0.00 0.00 175.76 175.31 1a75 n ASP 8 N -1.35 -2.14 0.14 0.00 5.68 -1.26 -5.00 116.55 112.62 1a75 n ASP 8 Ca 0.12 -2.42 -0.13 0.00 -0.50 0.00 0.00 54.79 51.86 1a75 n ASP 8 Cb 0.50 3.55 -0.06 0.00 -1.14 0.00 0.00 41.12 43.97 1a75 n ASP 8 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1a75 h ALA 9 N 2.00 -0.43 0.20 2.12 0.00 -1.97 -0.82 119.26 120.36 1a75 h ALA 9 Ca -0.32 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1a75 h ALA 9 Cb 1.20 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1a75 h ALA 9 CO 0.40 -0.78 -0.10 -0.44 0.00 0.00 0.00 179.25 178.34 1a75 h ASP 10 N -0.46 -0.23 0.07 0.00 3.32 -1.87 -1.52 116.42 115.73 1a75 h ASP 10 Ca 0.01 -0.15 -0.09 0.00 0.02 0.00 0.00 57.03 56.82 1a75 h ASP 10 Cb 0.45 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 1a75 h ASP 10 CO -0.09 0.02 -0.28 0.00 -1.72 0.00 0.00 179.24 177.17 1a75 h ALA 12 N 1.41 1.07 -0.04 0.00 0.00 -1.14 -0.70 119.26 119.86 1a75 h ALA 12 Ca 0.04 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 1a75 h ALA 12 Cb 0.66 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1a75 h ALA 12 CO 0.05 0.62 -0.41 0.00 0.00 0.00 0.00 179.25 179.51 1a75 h ALA 13 N 1.21 1.25 -0.24 0.00 0.00 -0.16 -0.30 119.26 121.02 1a75 h ALA 13 Ca 0.20 -0.39 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 1a75 h ALA 13 Cb 0.34 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1a75 h ALA 13 CO -0.00 0.54 -0.29 0.00 0.00 0.00 0.00 179.25 179.50 1a75 h ALA 14 N 1.52 1.06 -0.12 0.00 0.00 -0.31 -1.57 119.26 119.83 1a75 h ALA 14 Ca 0.00 -0.37 -0.17 0.00 0.00 0.00 0.00 54.91 54.37 1a75 h ALA 14 Cb 0.76 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.44 1a75 h ALA 14 CO 0.06 0.58 -0.60 0.28 0.00 0.00 0.00 179.25 179.56 1a75 h VAL 15 N 0.42 1.34 -1.01 0.00 2.07 -0.62 -3.16 116.25 115.28 1a75 h VAL 15 Ca 0.06 -1.88 0.02 0.00 0.82 0.00 0.00 66.70 65.72 1a75 h VAL 15 Cb 0.72 2.13 -0.05 0.00 -1.52 0.00 0.00 31.29 32.56 1a75 h VAL 15 CO 0.06 0.58 0.66 0.50 0.02 0.00 0.00 177.57 179.39 1a75 h LYS 16 N 0.26 1.28 0.00 1.57 1.63 -0.94 -2.07 116.57 118.31 1a75 h LYS 16 Ca -0.04 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.68 1a75 h LYS 16 Cb 1.24 -0.29 0.00 0.00 -0.60 0.00 0.00 32.23 32.59 1a75 h LYS 16 CO 0.12 0.85 0.00 0.00 -3.45 0.00 0.00 179.45 176.97 1a75 h ALA 17 N 1.39 1.00 -0.79 5.00 0.00 -1.25 -2.42 119.26 122.20 1a75 h ALA 17 Ca 0.39 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.78 1a75 h ALA 17 Cb -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 17.79 17.29 1a75 h ALA 17 CO -0.10 0.00 -0.85 0.00 0.00 0.00 0.00 179.25 178.29 1a75 h GLU 19 N 2.28 1.11 -6.77 0.00 5.08 -1.44 -3.43 114.58 111.42 1a75 h GLU 19 Ca 0.29 -0.17 -0.49 0.00 -1.00 0.00 0.00 59.36 57.99 1a75 h GLU 19 Cb 1.44 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 1a75 h GLU 19 CO 0.69 0.88 0.30 0.00 -1.00 0.00 0.00 179.01 179.88 1a75 s ALA 20 N -5.58 3.30 0.30 3.43 0.00 -1.26 -4.94 121.76 117.01 1a75 s ALA 20 Ca -0.12 0.49 -0.30 0.00 0.00 0.00 0.00 51.96 52.04 1a75 s ALA 20 Cb 0.16 -3.12 -0.11 0.00 0.00 0.00 0.00 23.12 20.04 1a75 s ALA 20 CO 0.82 0.22 1.60 0.00 0.00 0.00 0.00 175.76 178.40 1a75 n ALA 21 N 0.96 2.63 -1.79 0.00 0.00 -1.26 -2.44 120.51 118.61 1a75 n ALA 21 Ca -0.01 0.37 -0.06 0.00 0.00 0.00 0.00 53.44 53.75 1a75 n ALA 21 Cb 0.49 -2.47 -0.01 0.00 0.00 0.00 0.00 19.45 17.46 1a75 n ALA 21 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1a75 n ASP 22 N 2.03 -2.78 -0.29 0.00 8.00 -1.26 -4.91 116.55 117.34 1a75 n ASP 22 Ca 0.08 0.04 0.05 0.00 0.71 0.00 0.00 54.79 55.67 1a75 n ASP 22 Cb 0.37 -1.69 0.02 0.00 -0.02 0.00 0.00 41.12 39.80 1a75 n ASP 22 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1a75 n SER 23 N 0.97 1.46 -4.77 -2.24 3.41 -1.02 -5.01 113.62 106.42 1a75 n SER 23 Ca -0.06 -1.23 -0.39 0.00 -0.26 0.00 0.00 58.87 56.92 1a75 n SER 23 Cb 0.43 0.24 -0.06 0.00 -0.26 0.00 0.00 64.21 64.56 1a75 n SER 23 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1a75 s PHE 24 N -1.03 3.91 -0.07 7.33 5.36 -1.26 -4.81 117.98 127.41 1a75 s PHE 24 Ca 0.09 1.66 -0.03 0.00 -0.96 0.00 0.00 56.93 57.69 1a75 s PHE 24 Cb 0.08 -2.79 0.04 0.00 -0.34 0.00 0.00 43.02 40.01 1a75 s PHE 24 CO 0.17 0.51 0.17 -1.54 -1.46 0.00 0.00 175.22 173.07 1a75 s SER 25 N -1.13 -0.11 0.32 6.13 1.04 -1.26 -5.01 113.70 113.68 1a75 s SER 25 Ca 0.36 0.35 0.01 0.00 0.48 0.00 0.00 55.95 57.15 1a75 s SER 25 Cb -0.23 0.24 0.57 0.00 0.10 0.00 0.00 66.02 66.69 1a75 s SER 25 CO 0.27 -0.16 1.94 0.10 0.98 0.00 0.00 173.24 176.37 1a75 h TYR 26 N 7.28 0.97 -0.24 5.02 -0.00 -1.97 -0.65 116.97 127.37 1a75 h TYR 26 Ca -0.42 0.02 -0.04 0.00 -0.00 0.00 0.00 58.73 58.30 1a75 h TYR 26 Cb 1.14 -0.32 -0.01 0.00 -0.00 0.00 0.00 36.73 37.54 1a75 h TYR 26 CO 0.42 0.53 0.01 0.87 -0.00 0.00 0.00 178.16 179.98 1a75 h LYS 27 N 0.98 0.42 -0.29 0.10 1.57 -1.97 -0.03 116.57 117.35 1a75 h LYS 27 Ca 0.35 -0.13 -0.07 0.00 -1.87 0.00 0.00 60.65 58.93 1a75 h LYS 27 Cb 0.15 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1a75 h LYS 27 CO -0.12 0.59 -0.14 0.00 -0.57 0.00 0.00 179.45 179.22 1a75 h ALA 28 N 0.82 1.23 0.90 3.86 0.00 -1.92 -2.18 119.26 121.97 1a75 h ALA 28 Ca 0.07 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1a75 h ALA 28 Cb 0.39 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.06 1a75 h ALA 28 CO 0.01 0.50 -0.44 0.35 0.00 0.00 0.00 179.25 179.67 1a75 h PHE 29 N 0.45 -1.16 0.00 0.00 3.04 -0.60 -3.17 116.94 115.51 1a75 h PHE 29 Ca 0.08 -0.03 -0.03 0.00 3.98 0.00 0.00 57.97 61.98 1a75 h PHE 29 Cb 0.51 0.39 -0.00 0.00 2.56 0.00 0.00 35.95 39.40 1a75 h PHE 29 CO 0.02 -0.71 -0.13 0.74 -2.02 0.00 0.00 178.31 176.20 1a75 h PHE 30 N -1.22 0.00 -0.36 0.41 0.04 -0.83 -1.20 116.94 113.78 1a75 h PHE 30 Ca -0.12 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.59 1a75 h PHE 30 Cb 0.94 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.07 1a75 h PHE 30 CO -0.02 0.13 -0.00 0.00 -0.60 0.00 0.00 178.31 177.82 1a75 h ALA 31 N 1.87 1.32 0.13 2.45 0.00 -1.37 -0.78 119.26 122.87 1a75 h ALA 31 Ca -0.00 -0.22 -0.35 0.00 0.00 0.00 0.00 54.91 54.34 1a75 h ALA 31 Cb 0.28 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1a75 h ALA 31 CO 0.02 0.47 -1.90 -0.22 0.00 0.00 0.00 179.25 177.61 1a75 h LYS 32 N 0.55 0.28 -0.31 0.00 1.63 -1.25 -3.33 116.57 114.13 1a75 h LYS 32 Ca 0.12 -0.47 -0.03 0.00 -0.85 0.00 0.00 60.65 59.42 1a75 h LYS 32 Cb 0.36 0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 32.15 1a75 h LYS 32 CO 0.01 1.23 0.07 0.00 -3.45 0.00 0.00 179.45 177.31 1a75 n GLY 34 N -1.12 0.54 0.16 0.00 0.00 -0.31 -4.18 105.19 100.29 1a75 n GLY 34 Ca 0.01 -0.82 -0.01 0.00 0.00 0.00 0.00 46.02 45.20 1a75 n GLY 34 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1a75 h LEU 35 N 0.00 0.07 -0.85 0.99 -0.00 -1.89 -2.81 115.31 110.82 1a75 h LEU 35 Ca 0.00 -0.03 0.10 0.00 -0.00 0.00 0.00 57.88 57.94 1a75 h LEU 35 Cb 0.01 -0.02 -0.07 0.00 -0.00 0.00 0.00 40.66 40.58 1a75 h LEU 35 CO 0.00 0.58 0.49 0.77 -0.00 0.00 0.00 178.44 180.28 1a75 h SER 36 N 0.05 0.70 -0.40 -0.43 4.64 -1.67 -0.20 113.55 116.25 1a75 h SER 36 Ca -0.00 0.05 -0.10 0.00 -0.47 0.00 0.00 61.79 61.27 1a75 h SER 36 Cb 0.94 -0.09 -0.06 0.00 -0.31 0.00 0.00 62.40 62.88 1a75 h SER 36 CO 0.07 0.40 0.12 0.61 -0.87 0.00 0.00 176.83 177.16 1a75 n GLY 37 N -1.32 2.68 3.97 -0.77 0.00 -1.07 -4.74 105.19 103.94 1a75 n GLY 37 Ca 0.14 -0.54 -0.21 0.00 0.00 0.00 0.00 46.02 45.41 1a75 n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a75 s LYS 38 N -1.92 3.25 0.70 1.61 -0.14 -0.09 -5.09 119.74 118.06 1a75 s LYS 38 Ca 0.31 -0.69 -0.12 0.00 -1.36 0.00 0.00 55.97 54.11 1a75 s LYS 38 Cb 0.24 -2.74 0.01 0.00 -1.68 0.00 0.00 37.83 33.66 1a75 s LYS 38 CO 0.08 0.09 1.08 -1.54 -0.76 0.00 0.00 175.35 174.29 1a75 s SER 39 N -4.11 5.14 0.50 2.83 1.04 -1.26 -4.82 113.70 113.02 1a75 s SER 39 Ca 0.42 1.76 0.20 0.00 0.48 0.00 0.00 55.95 58.81 1a75 s SER 39 Cb -0.10 -2.52 1.27 0.00 0.10 0.00 0.00 66.02 64.78 1a75 s SER 39 CO 0.33 -1.61 2.03 0.00 0.98 0.00 0.00 173.24 174.98 1a75 h ALA 40 N -0.56 2.24 -0.02 5.32 0.00 -1.98 -0.27 119.26 123.99 1a75 h ALA 40 Ca -0.45 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.38 1a75 h ALA 40 Cb 1.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1a75 h ALA 40 CO 0.55 -0.34 -0.27 -0.44 0.00 0.00 0.00 179.25 178.74 1a75 h ASP 41 N 0.11 0.27 -0.07 0.00 3.32 -1.99 -2.63 116.42 115.42 1a75 h ASP 41 Ca 0.19 -0.72 0.02 0.00 0.02 0.00 0.00 57.03 56.54 1a75 h ASP 41 Cb 0.61 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.08 1a75 h ASP 41 CO -0.02 0.96 0.07 0.44 -1.72 0.00 0.00 179.24 178.96 1a75 h ASP 42 N -0.39 0.00 0.54 6.45 5.19 -1.72 0.57 116.42 127.06 1a75 h ASP 42 Ca -0.03 0.00 -0.23 0.00 -0.62 0.00 0.00 57.03 56.15 1a75 h ASP 42 Cb 0.98 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.48 1a75 h ASP 42 CO 0.05 0.00 -1.00 0.40 -3.12 0.00 0.00 179.24 175.57 1a75 h ILE 43 N 0.00 1.48 0.09 0.35 2.04 -0.99 -2.70 117.51 117.78 1a75 h ILE 43 Ca 0.03 -2.73 -0.26 0.00 1.00 0.00 0.00 64.86 62.90 1a75 h ILE 43 Cb 0.17 2.60 -0.00 0.00 -0.74 0.00 0.00 36.82 38.85 1a75 h ILE 43 CO -0.00 0.80 -1.16 0.11 0.00 0.00 0.00 178.15 177.90 1a75 h LYS 44 N 0.13 0.23 -0.11 2.37 1.57 -0.97 -2.48 116.57 117.31 1a75 h LYS 44 Ca -0.08 -0.37 0.03 0.00 -1.87 0.00 0.00 60.65 58.36 1a75 h LYS 44 Cb 1.67 0.13 -0.03 0.00 0.08 0.00 0.00 32.23 34.08 1a75 h LYS 44 CO 0.16 1.16 -0.09 -0.22 -0.57 0.00 0.00 179.45 179.90 1a75 h LYS 45 N 0.07 -0.10 -0.80 3.15 3.64 -0.96 0.31 116.57 121.88 1a75 h LYS 45 Ca -0.10 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.33 1a75 h LYS 45 Cb 1.89 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 33.68 1a75 h LYS 45 CO 0.19 -0.06 0.50 0.00 -2.27 0.00 0.00 179.45 177.80 1a75 h ALA 46 N 0.99 1.08 -0.24 5.00 0.00 -1.42 0.97 119.26 125.64 1a75 h ALA 46 Ca 0.07 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1a75 h ALA 46 Cb 0.21 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1a75 h ALA 46 CO -0.17 0.27 0.14 0.35 0.00 0.00 0.00 179.25 179.84 1a75 h PHE 47 N 0.95 0.31 0.00 0.00 3.57 -1.07 -0.43 116.94 120.27 1a75 h PHE 47 Ca 0.34 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.75 1a75 h PHE 47 Cb 0.09 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 1a75 h PHE 47 CO -0.04 0.25 -0.41 -0.39 -2.23 0.00 0.00 178.31 175.49 1a75 h VAL 48 N 0.29 1.28 -0.10 1.41 -1.51 0.54 0.38 116.25 118.55 1a75 h VAL 48 Ca 0.08 -1.42 -0.20 0.00 -1.23 0.00 0.00 66.70 63.94 1a75 h VAL 48 Cb 0.02 1.77 0.00 0.00 -2.13 0.00 0.00 31.29 30.95 1a75 h VAL 48 CO -0.02 0.40 -0.77 -0.26 -1.23 0.00 0.00 177.57 175.70 1a75 h PHE 49 N 0.00 0.75 0.04 5.19 -1.00 -0.60 -3.29 116.94 118.02 1a75 h PHE 49 Ca -0.00 -0.34 -0.22 0.00 2.81 0.00 0.00 57.97 60.21 1a75 h PHE 49 Cb 0.73 -0.11 -0.01 0.00 3.61 0.00 0.00 35.95 40.17 1a75 h PHE 49 CO 0.00 1.13 -1.02 0.82 -1.61 0.00 0.00 178.31 177.63 1a75 h ILE 50 N 0.37 1.55 0.00 -0.55 2.04 -0.66 -3.33 117.51 116.92 1a75 h ILE 50 Ca -0.04 -2.95 -0.56 0.00 1.00 0.00 0.00 64.86 62.30 1a75 h ILE 50 Cb 1.37 2.70 0.04 0.00 -0.74 0.00 0.00 36.82 40.19 1a75 h ILE 50 CO 0.14 0.85 2.41 -0.67 0.00 0.00 0.00 178.15 180.89 1a75 n ASP 51 N -3.55 3.29 0.33 1.72 2.03 0.09 -4.73 116.55 115.74 1a75 n ASP 51 Ca -0.04 -2.57 0.20 0.00 0.52 0.00 0.00 54.79 52.90 1a75 n ASP 51 Cb 0.90 -1.12 1.08 0.00 -0.72 0.00 0.00 41.12 41.27 1a75 n ASP 51 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 1a75 h GLN 52 N 7.34 0.00 -0.39 -0.67 4.20 -1.80 -2.21 115.11 121.59 1a75 h GLN 52 Ca 0.45 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.16 1a75 h GLN 52 Cb 0.50 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.28 1a75 h GLN 52 CO 1.79 0.00 0.00 -0.40 -0.67 0.00 0.00 178.83 179.55 1a75 n ASP 53 N -3.05 3.18 -2.90 1.46 5.75 -1.26 -4.98 116.55 114.75 1a75 n ASP 53 Ca -0.03 -2.11 -0.22 0.00 -0.01 0.00 0.00 54.79 52.42 1a75 n ASP 53 Cb 0.18 -0.30 0.03 0.00 -1.03 0.00 0.00 41.12 39.99 1a75 n ASP 53 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1a75 n LYS 54 N 0.54 -4.20 0.00 0.11 4.76 -0.83 -4.85 118.16 113.68 1a75 n LYS 54 Ca 0.14 0.93 0.13 0.00 -2.87 0.00 0.00 58.31 56.64 1a75 n LYS 54 Cb 0.51 -5.75 0.45 0.00 -1.84 0.00 0.00 35.03 28.40 1a75 n LYS 54 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1a75 n SER 55 N -2.41 0.67 0.00 4.39 3.41 -1.26 -4.90 113.62 113.51 1a75 n SER 55 Ca -0.14 -0.57 0.00 0.00 -0.26 0.00 0.00 58.87 57.89 1a75 n SER 55 Cb 0.63 0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.63 1a75 n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a75 n GLY 56 N 1.36 1.96 3.24 5.00 0.00 -1.26 -5.00 105.19 110.48 1a75 n GLY 56 Ca 0.11 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.94 1a75 n GLY 56 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a75 s PHE 57 N -2.43 1.45 -0.29 1.61 0.40 -1.26 -4.38 117.98 113.08 1a75 s PHE 57 Ca 0.00 -0.50 -0.15 0.00 -0.60 0.00 0.00 56.93 55.67 1a75 s PHE 57 Cb 0.00 -0.77 -0.03 0.00 0.51 0.00 0.00 43.02 42.73 1a75 s PHE 57 CO 0.00 0.15 0.39 0.42 0.70 0.00 0.00 175.22 176.87 1a75 s ILE 58 N -1.77 5.16 0.39 0.64 1.01 0.33 -4.80 121.20 122.16 1a75 s ILE 58 Ca 0.06 0.48 0.03 0.00 0.00 0.00 0.00 60.65 61.22 1a75 s ILE 58 Cb -0.07 -3.74 -0.01 0.00 0.01 0.00 0.00 42.46 38.65 1a75 s ILE 58 CO 0.03 0.09 0.58 -1.61 0.00 0.00 0.00 174.94 174.03 1a75 s GLU 59 N 2.10 3.10 0.30 2.79 8.01 -1.26 0.40 118.70 134.13 1a75 s GLU 59 Ca 0.15 -0.71 0.05 0.00 0.01 0.00 0.00 54.97 54.47 1a75 s GLU 59 Cb -0.16 -2.68 0.73 0.00 -4.31 0.00 0.00 34.13 27.71 1a75 s GLU 59 CO 0.10 -0.11 1.75 0.93 0.01 0.00 0.00 175.26 177.95 1a75 h GLU 60 N 0.63 0.64 -0.25 1.61 5.08 -1.96 0.14 114.58 120.47 1a75 h GLU 60 Ca -0.46 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 57.81 1a75 h GLU 60 Cb 1.25 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 1a75 h GLU 60 CO 0.56 0.42 -0.05 0.38 -1.00 0.00 0.00 179.01 179.31 1a75 h ASP 61 N 0.66 0.37 0.50 1.42 2.03 -1.98 -0.87 116.42 118.54 1a75 h ASP 61 Ca 0.57 -0.07 -0.24 0.00 -0.73 0.00 0.00 57.03 56.56 1a75 h ASP 61 Cb 0.94 -0.10 0.00 0.00 -0.83 0.00 0.00 39.33 39.35 1a75 h ASP 61 CO -0.42 0.47 -1.04 -0.33 -1.03 0.00 0.00 179.24 176.89 1a75 h GLU 62 N 0.38 0.32 -0.85 4.15 5.08 -1.34 -3.14 114.58 119.18 1a75 h GLU 62 Ca 0.08 -0.41 0.05 0.00 -1.00 0.00 0.00 59.36 58.08 1a75 h GLU 62 Cb 0.34 0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.66 1a75 h GLU 62 CO 0.01 1.12 0.53 -0.07 -1.00 0.00 0.00 179.01 179.61 1a75 h LEU 63 N 0.15 0.86 -1.89 1.33 3.38 -0.73 -2.16 115.31 116.25 1a75 h LEU 63 Ca -0.09 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1a75 h LEU 63 Cb 1.71 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 42.28 1a75 h LEU 63 CO 0.17 0.57 0.01 0.50 0.09 0.00 0.00 178.44 179.78 1a75 h LYS 64 N 1.01 0.07 -0.54 1.13 3.64 -1.13 0.15 116.57 120.90 1a75 h LYS 64 Ca 0.36 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 1a75 h LYS 64 Cb 0.10 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1a75 h LYS 64 CO -0.15 0.08 0.00 1.28 -2.27 0.00 0.00 179.45 178.39 1a75 n LEU 65 N -4.50 2.98 -0.17 5.20 4.77 -0.82 -0.67 117.00 123.78 1a75 n LEU 65 Ca -0.02 -1.50 -0.01 0.00 -0.03 0.00 0.00 56.01 54.45 1a75 n LEU 65 Cb 0.11 -0.39 0.08 0.00 -2.33 0.00 0.00 43.42 40.89 1a75 n LEU 65 CO 0.35 0.64 0.87 0.15 -1.33 0.00 0.00 177.39 178.06 1a75 h PHE 66 N 2.90 0.04 -0.16 -1.77 3.57 -0.84 -2.15 116.94 118.53 1a75 h PHE 66 Ca 0.00 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 1a75 h PHE 66 Cb 0.83 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.62 1a75 h PHE 66 CO 0.41 -0.09 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.31 1a75 h LEU 67 N 0.16 0.22 -0.97 0.59 3.38 -1.81 -1.60 115.31 115.28 1a75 h LEU 67 Ca 0.27 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1a75 h LEU 67 Cb 0.41 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1a75 h LEU 67 CO -0.42 0.29 0.00 1.56 0.09 0.00 0.00 178.44 179.96 1a75 h GLN 68 N 0.24 0.00 -0.18 1.13 4.20 -1.53 -0.22 115.11 118.75 1a75 h GLN 68 Ca 0.06 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.60 1a75 h GLN 68 Cb 0.21 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 1a75 h GLN 68 CO 0.01 0.00 -0.57 0.28 -0.67 0.00 0.00 178.83 177.88 1a75 h VAL 69 N 0.00 1.32 0.00 -0.54 2.07 -1.32 0.32 116.25 118.10 1a75 h VAL 69 Ca 0.00 -1.82 0.00 0.00 0.82 0.00 0.00 66.70 65.70 1a75 h VAL 69 Cb 0.36 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 1a75 h VAL 69 CO 0.00 0.57 -1.46 0.49 0.02 0.00 0.00 177.57 177.18 1a75 n PHE 70 N -3.95 0.05 -3.67 1.57 3.01 -0.75 -1.46 117.46 112.26 1a75 n PHE 70 Ca -0.03 0.01 -0.09 0.00 1.01 0.00 0.00 57.45 58.35 1a75 n PHE 70 Cb 0.61 -0.30 -0.10 0.00 -0.01 0.00 0.00 39.48 39.69 1a75 n PHE 70 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1a75 s LYS 71 N -3.27 0.37 0.16 -1.08 2.20 -0.17 -3.63 119.74 114.32 1a75 s LYS 71 Ca -0.00 0.95 -0.24 0.00 -0.36 0.00 0.00 55.97 56.32 1a75 s LYS 71 Cb 0.15 0.19 0.01 0.00 -1.51 0.00 0.00 37.83 36.67 1a75 s LYS 71 CO 0.88 -0.21 1.35 0.00 -0.36 0.00 0.00 175.35 177.01 1a75 n ALA 72 N 4.91 -0.44 -1.04 3.13 0.00 -1.26 -1.89 120.51 123.91 1a75 n ALA 72 Ca -0.15 0.78 -0.24 0.00 0.00 0.00 0.00 53.44 53.83 1a75 n ALA 72 Cb 0.52 -0.19 0.14 0.00 0.00 0.00 0.00 19.45 19.92 1a75 n ALA 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a75 n GLY 73 N -1.27 4.51 3.81 0.00 0.00 -1.26 -4.61 105.19 106.36 1a75 n GLY 73 Ca 0.04 -1.21 -0.30 0.00 0.00 0.00 0.00 46.02 44.54 1a75 n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a75 s ALA 74 N -3.03 2.29 0.58 4.61 0.00 -0.79 -5.03 121.76 120.38 1a75 s ALA 74 Ca 0.52 -0.17 -0.09 0.00 0.00 0.00 0.00 51.96 52.22 1a75 s ALA 74 Cb 0.43 -3.11 -0.03 0.00 0.00 0.00 0.00 23.12 20.40 1a75 s ALA 74 CO 0.07 -1.68 0.95 -0.98 0.00 0.00 0.00 175.76 174.12 1a75 s ARG 75 N -5.14 3.52 0.49 0.00 1.70 -1.26 -4.74 118.95 113.51 1a75 s ARG 75 Ca 0.60 0.53 -0.21 0.00 -0.47 0.00 0.00 55.73 56.19 1a75 s ARG 75 Cb -0.14 -2.18 -0.08 0.00 -0.57 0.00 0.00 34.95 31.98 1a75 s ARG 75 CO 0.54 -0.48 1.06 0.00 -1.08 0.00 0.00 175.30 175.34 1a75 s ALA 76 N -3.04 2.87 0.47 7.88 0.00 -1.26 -4.53 121.76 124.14 1a75 s ALA 76 Ca 0.53 0.67 -0.24 0.00 0.00 0.00 0.00 51.96 52.91 1a75 s ALA 76 Cb -0.11 -3.28 -0.07 0.00 0.00 0.00 0.00 23.12 19.66 1a75 s ALA 76 CO 0.51 -0.39 1.32 -0.51 0.00 0.00 0.00 175.76 176.68 1a75 s LEU 77 N -3.43 4.05 0.91 0.00 1.43 0.15 -5.01 118.68 116.78 1a75 s LEU 77 Ca 0.67 2.67 -0.12 0.00 -1.03 0.00 0.00 54.13 56.33 1a75 s LEU 77 Cb -0.19 -4.08 0.13 0.00 0.03 0.00 0.00 46.19 42.09 1a75 s LEU 77 CO 0.22 -1.14 1.10 0.42 0.23 0.00 0.00 176.35 177.18 1a75 s THR 78 N -1.31 2.54 0.25 5.49 -4.23 -1.26 -4.72 115.64 112.39 1a75 s THR 78 Ca 0.63 0.18 -0.03 0.00 -1.18 0.00 0.00 61.69 61.29 1a75 s THR 78 Cb -0.38 -2.72 0.22 0.00 1.34 0.00 0.00 72.50 70.96 1a75 s THR 78 CO 0.47 -0.23 1.78 0.44 -0.54 0.00 0.00 174.62 176.54 1a75 h ASP 79 N -1.56 0.56 -0.36 3.99 5.19 -1.99 -0.60 116.42 121.65 1a75 h ASP 79 Ca -0.50 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 55.99 1a75 h ASP 79 Cb 1.30 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 40.76 1a75 h ASP 79 CO 0.56 0.28 0.24 0.00 -3.12 0.00 0.00 179.24 177.20 1a75 h ALA 80 N 1.51 0.46 0.11 3.45 0.00 -2.00 -1.77 119.26 121.01 1a75 h ALA 80 Ca 0.42 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 1a75 h ALA 80 Cb 0.52 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1a75 h ALA 80 CO -0.31 -0.08 -0.05 0.93 0.00 0.00 0.00 179.25 179.73 1a75 h GLU 81 N 0.49 -0.14 -1.01 0.00 5.08 -1.72 -2.45 114.58 114.84 1a75 h GLU 81 Ca 0.13 0.01 0.22 0.00 -1.00 0.00 0.00 59.36 58.73 1a75 h GLU 81 Cb -0.05 0.03 -0.11 0.00 0.50 0.00 0.00 28.75 29.11 1a75 h GLU 81 CO -0.03 0.05 0.61 1.15 -1.00 0.00 0.00 179.01 179.79 1a75 h THR 82 N -0.31 0.61 -0.00 1.13 2.02 -1.04 -1.23 112.91 114.09 1a75 h THR 82 Ca -0.01 -0.22 -0.16 0.00 0.77 0.00 0.00 66.41 66.78 1a75 h THR 82 Cb 0.25 -0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.55 1a75 h THR 82 CO 0.02 0.12 -0.76 0.50 0.37 0.00 0.00 175.52 175.77 1a75 h LYS 83 N 0.65 0.06 0.00 6.66 3.64 -0.87 -0.95 116.57 125.76 1a75 h LYS 83 Ca 0.61 -0.06 -0.21 0.00 -1.27 0.00 0.00 60.65 59.72 1a75 h LYS 83 Cb 1.10 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.90 1a75 h LYS 83 CO -0.42 0.79 -1.05 0.00 -2.27 0.00 0.00 179.45 176.50 1a75 h ALA 84 N 1.19 0.38 0.26 5.00 0.00 -1.02 -1.38 119.26 123.70 1a75 h ALA 84 Ca -0.01 -0.95 -0.01 0.00 0.00 0.00 0.00 54.91 53.94 1a75 h ALA 84 Cb 1.34 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1a75 h ALA 84 CO 0.10 1.27 -0.13 0.35 0.00 0.00 0.00 179.25 180.85 1a75 h PHE 85 N 0.00 -0.32 -0.61 0.00 3.04 -1.18 -1.41 116.94 116.46 1a75 h PHE 85 Ca -0.03 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.91 1a75 h PHE 85 Cb 1.78 0.11 -0.03 0.00 2.56 0.00 0.00 35.95 40.37 1a75 h PHE 85 CO 0.00 -0.05 0.39 1.25 -2.02 0.00 0.00 178.31 177.88 1a75 h LEU 86 N -0.57 0.72 -0.89 0.59 5.85 -1.22 -2.26 115.31 117.53 1a75 h LEU 86 Ca -0.04 -0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.57 1a75 h LEU 86 Cb 0.42 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 1a75 h LEU 86 CO 0.06 0.54 -0.07 0.50 -0.34 0.00 0.00 178.44 179.12 1a75 h LYS 87 N 0.83 0.74 -0.20 1.25 3.64 -1.21 0.37 116.57 121.99 1a75 h LYS 87 Ca 0.22 -0.22 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 1a75 h LYS 87 Cb -0.07 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 1a75 h LYS 87 CO -0.05 0.80 -0.40 0.00 -2.27 0.00 0.00 179.45 177.53 1a75 h ALA 88 N 1.24 0.93 0.00 5.00 0.00 -1.05 -3.31 119.26 122.06 1a75 h ALA 88 Ca 0.12 -0.43 -0.18 0.00 0.00 0.00 0.00 54.91 54.42 1a75 h ALA 88 Cb 0.53 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1a75 h ALA 88 CO 0.03 0.63 -1.67 0.41 0.00 0.00 0.00 179.25 178.65 1a75 n GLY 89 N -0.07 -1.13 3.05 0.00 0.00 -0.87 -4.68 105.19 101.49 1a75 n GLY 89 Ca -0.02 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 1a75 n GLY 89 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1a75 n ASP 90 N -2.78 4.45 0.06 1.61 2.03 0.13 -4.78 116.55 117.27 1a75 n ASP 90 Ca -0.13 -2.91 -0.03 0.00 0.52 0.00 0.00 54.79 52.24 1a75 n ASP 90 Cb 0.87 -1.65 0.20 0.00 -0.72 0.00 0.00 41.12 39.81 1a75 n ASP 90 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1a75 h SER 91 N 6.51 0.35 0.48 1.67 4.64 -1.85 -2.56 113.55 122.78 1a75 h SER 91 Ca 0.49 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1a75 h SER 91 Cb 0.72 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1a75 h SER 91 CO 1.68 0.70 -0.16 -0.90 -0.87 0.00 0.00 176.83 177.29 1a75 n ASP 92 N -4.05 0.43 -0.49 4.97 5.68 -1.26 -4.93 116.55 116.91 1a75 n ASP 92 Ca -0.01 -0.37 -0.06 0.00 -0.50 0.00 0.00 54.79 53.85 1a75 n ASP 92 Cb 0.47 -0.08 -0.02 0.00 -1.14 0.00 0.00 41.12 40.35 1a75 n ASP 92 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1a75 n GLY 93 N 1.35 0.63 0.50 6.12 0.00 -0.97 -4.91 105.19 107.92 1a75 n GLY 93 Ca 0.12 -0.77 0.10 0.00 0.00 0.00 0.00 46.02 45.47 1a75 n GLY 93 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1a75 n ASP 94 N 1.05 1.50 0.00 1.61 5.75 -1.26 -4.90 116.55 120.30 1a75 n ASP 94 Ca -0.06 -1.72 0.00 0.00 -0.01 0.00 0.00 54.79 53.01 1a75 n ASP 94 Cb 0.28 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.26 1a75 n ASP 94 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1a75 n GLY 95 N 1.08 1.06 3.51 6.12 0.00 -1.26 -5.02 105.19 110.68 1a75 n GLY 95 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 1a75 n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a75 s ALA 96 N -3.04 2.72 -0.30 4.61 0.00 -1.26 -4.55 121.76 119.94 1a75 s ALA 96 Ca 0.00 -1.83 -0.02 0.00 0.00 0.00 0.00 51.96 50.10 1a75 s ALA 96 Cb 0.00 0.55 0.04 0.00 0.00 0.00 0.00 23.12 23.71 1a75 s ALA 96 CO 0.00 -0.26 0.00 0.42 0.00 0.00 0.00 175.76 175.92 1a75 s ILE 97 N -3.15 3.06 0.46 0.00 -1.09 0.16 -4.58 121.20 116.06 1a75 s ILE 97 Ca 0.32 -1.29 -0.04 0.00 -2.23 0.00 0.00 60.65 57.40 1a75 s ILE 97 Cb 0.07 -2.72 0.10 0.00 -1.58 0.00 0.00 42.46 38.33 1a75 s ILE 97 CO 0.15 -0.06 0.63 0.61 -1.23 0.00 0.00 174.94 175.04 1a75 n GLY 98 N 4.65 -0.21 0.32 6.18 0.00 -1.26 0.12 105.19 114.99 1a75 n GLY 98 Ca -0.14 -1.86 -0.08 0.00 0.00 0.00 0.00 46.02 43.95 1a75 n GLY 98 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1a75 h VAL 99 N -0.92 1.26 -0.13 1.61 3.04 -2.00 -2.08 116.25 117.04 1a75 h VAL 99 Ca -0.21 -1.03 -0.17 0.00 -1.01 0.00 0.00 66.70 64.28 1a75 h VAL 99 Cb 0.66 0.62 -0.00 0.00 -2.01 0.00 0.00 31.29 30.56 1a75 h VAL 99 CO 0.18 0.39 -0.65 1.05 -1.01 0.00 0.00 177.57 177.53 1a75 h GLU 100 N 1.03 0.49 -0.49 4.17 9.09 -1.97 -2.67 114.58 124.23 1a75 h GLU 100 Ca 0.21 -0.35 -0.12 0.00 0.05 0.00 0.00 59.36 59.14 1a75 h GLU 100 Cb 0.43 0.06 -0.01 0.00 -1.65 0.00 0.00 28.75 27.58 1a75 h GLU 100 CO 0.01 0.97 -0.17 0.93 0.05 0.00 0.00 179.01 180.80 1a75 h GLU 101 N 0.35 0.98 0.44 1.06 5.08 -1.86 -2.63 114.58 118.00 1a75 h GLU 101 Ca -0.01 -0.40 -0.01 0.00 -1.00 0.00 0.00 59.36 57.94 1a75 h GLU 101 Cb 1.21 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 1a75 h GLU 101 CO 0.12 1.07 -0.36 2.35 -1.00 0.00 0.00 179.01 181.19 1a75 h TRP 102 N 0.84 -0.98 -0.86 4.33 2.91 -1.25 -1.76 115.95 119.18 1a75 h TRP 102 Ca 0.12 0.00 0.02 0.00 1.13 0.00 0.00 58.89 60.16 1a75 h TRP 102 Cb 0.74 0.37 -0.05 0.00 -0.51 0.00 0.00 29.16 29.72 1a75 h TRP 102 CO 0.05 -0.52 0.57 0.28 -1.03 0.00 0.00 178.44 177.79 1a75 h VAL 103 N -0.80 1.18 -0.81 2.65 2.07 -1.46 0.17 116.25 119.24 1a75 h VAL 103 Ca -0.04 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1a75 h VAL 103 Cb 0.69 -0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.39 1a75 h VAL 103 CO -0.02 0.20 0.48 0.00 0.02 0.00 0.00 177.57 178.25 1a75 h ALA 104 N 1.48 1.32 -0.12 1.67 0.00 -1.30 -1.29 119.26 121.03 1a75 h ALA 104 Ca 0.33 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.96 1a75 h ALA 104 Cb -0.05 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.41 1a75 h ALA 104 CO -0.09 0.58 -0.68 1.25 0.00 0.00 0.00 179.25 180.31 1a75 h LEU 105 N 1.11 0.57 -0.87 0.00 6.46 -0.25 0.20 115.31 122.54 1a75 h LEU 105 Ca 0.29 -0.36 -0.12 0.00 -0.12 0.00 0.00 57.88 57.58 1a75 h LEU 105 Cb -0.04 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 39.71 1a75 h LEU 105 CO -0.05 1.09 -0.56 0.58 -0.62 0.00 0.00 178.44 178.88 1a75 h VAL 106 N 0.35 1.40 -2.03 1.05 2.07 -0.62 -3.35 116.25 115.12 1a75 h VAL 106 Ca -0.02 -1.91 -0.53 0.00 0.82 0.00 0.00 66.70 65.05 1a75 h VAL 106 Cb 1.26 2.02 -0.40 0.00 -1.52 0.00 0.00 31.29 32.65 1a75 h VAL 106 CO 0.12 0.55 -1.08 0.29 0.02 0.00 0.00 177.57 177.47 1a75 n LYS 107 N -3.88 1.09 0.00 1.57 4.76 -0.52 -3.63 118.16 117.55 1a75 n LYS 107 Ca -0.01 -3.48 0.04 0.00 -2.87 0.00 0.00 58.31 51.99 1a75 n LYS 107 Cb 0.57 -1.54 0.26 0.00 -1.84 0.00 0.00 35.03 32.48 1a75 n LYS 107 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03