#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a43 h GLU 3 N 0.00 0.73 -0.21 -1.40 3.07 -1.97 -0.87 114.58 113.93 3a43 h GLU 3 Ca 0.00 -0.04 -0.09 0.00 -0.50 0.00 0.00 59.36 58.73 3a43 h GLU 3 Cb 0.00 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 27.74 3a43 h GLU 3 CO 0.00 0.48 -0.22 -1.49 -1.40 0.00 0.00 179.01 176.38 3a43 h TRP 4 N 0.75 0.62 -0.13 4.33 4.06 -1.97 0.90 115.95 124.52 3a43 h TRP 4 Ca 0.40 -0.19 -0.10 0.00 2.06 0.00 0.00 58.89 61.06 3a43 h TRP 4 Cb 0.51 -0.13 -0.01 0.00 -1.00 0.00 0.00 29.16 28.53 3a43 h TRP 4 CO -0.00 0.87 -0.36 0.00 -3.56 0.00 0.00 178.44 175.39 3a43 h ALA 5 N 0.64 1.15 0.16 1.49 0.00 -1.93 -0.90 119.26 119.87 3a43 h ALA 5 Ca 0.03 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 3a43 h ALA 5 Cb 0.77 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3a43 h ALA 5 CO 0.05 0.56 -0.07 1.25 0.00 0.00 0.00 179.25 181.04 3a43 h LEU 6 N 0.23 -0.18 -0.80 0.00 5.85 -0.96 -1.72 115.31 117.73 3a43 h LEU 6 Ca 0.03 -0.26 0.05 0.00 0.84 0.00 0.00 57.88 58.54 3a43 h LEU 6 Cb 0.75 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.77 3a43 h LEU 6 CO 0.06 0.19 0.49 0.00 -0.34 0.00 0.00 178.44 178.83 3a43 h ALA 7 N 0.20 1.08 -0.68 1.25 0.00 -0.76 -0.14 119.26 120.22 3a43 h ALA 7 Ca -0.02 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3a43 h ALA 7 Cb 0.43 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3a43 h ALA 7 CO 0.04 0.24 0.44 0.22 0.00 0.00 0.00 179.25 180.18 3a43 h ASP 8 N 0.91 0.78 -0.37 0.00 1.82 -1.10 0.72 116.42 119.18 3a43 h ASP 8 Ca 0.34 -0.02 -0.11 0.00 -0.39 0.00 0.00 57.03 56.85 3a43 h ASP 8 Cb 0.14 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 39.94 3a43 h ASP 8 CO -0.16 0.57 -0.19 0.00 -1.61 0.00 0.00 179.24 177.85 3a43 h ALA 9 N 1.24 0.52 -0.04 -0.78 0.00 -0.47 -1.84 119.26 117.89 3a43 h ALA 9 Ca 0.25 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3a43 h ALA 9 Cb -0.10 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 3a43 h ALA 9 CO -0.05 0.46 0.02 0.82 0.00 0.00 0.00 179.25 180.50 3a43 h ILE 10 N 0.57 1.07 -0.69 0.00 2.04 -0.79 -0.60 117.51 119.11 3a43 h ILE 10 Ca 0.08 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 3a43 h ILE 10 Cb 0.74 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 3a43 h ILE 10 CO 0.06 0.06 0.41 0.58 0.00 0.00 0.00 178.15 179.25 3a43 h VAL 11 N -0.03 1.20 -0.32 1.67 2.07 -0.88 -0.66 116.25 119.30 3a43 h VAL 11 Ca 0.01 -0.45 -0.12 0.00 0.82 0.00 0.00 66.70 66.96 3a43 h VAL 11 Cb 0.08 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 3a43 h VAL 11 CO -0.00 0.21 -0.30 -0.09 0.02 0.00 0.00 177.57 177.40 3a43 h ARG 12 N 0.96 0.67 -0.20 1.57 2.43 -1.03 -0.31 114.38 118.47 3a43 h ARG 12 Ca 0.25 -0.30 -0.09 0.00 -0.81 0.00 0.00 59.98 59.03 3a43 h ARG 12 Cb -0.02 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 3a43 h ARG 12 CO -0.04 0.89 -0.27 1.15 -1.51 0.00 0.00 179.97 180.19 3a43 h THR 13 N 0.57 1.26 0.02 0.20 2.02 -0.24 -1.89 112.91 114.86 3a43 h THR 13 Ca 0.07 -1.25 -0.00 0.00 0.77 0.00 0.00 66.41 66.00 3a43 h THR 13 Cb 0.81 1.40 0.00 0.00 -1.74 0.00 0.00 68.15 68.62 3a43 h THR 13 CO 0.07 0.39 -0.01 0.58 0.37 0.00 0.00 175.52 176.92 3a43 h VAL 14 N 0.34 1.46 -0.16 3.16 2.07 -0.80 -3.03 116.25 119.29 3a43 h VAL 14 Ca 0.05 -1.64 -0.06 0.00 0.82 0.00 0.00 66.70 65.87 3a43 h VAL 14 Cb 0.65 2.54 -0.01 0.00 -1.52 0.00 0.00 31.29 32.95 3a43 h VAL 14 CO 0.05 0.41 -0.17 -0.07 0.02 0.00 0.00 177.57 177.80 3a43 h LEU 15 N -0.76 0.26 -0.12 2.57 3.38 -1.10 -1.66 115.31 117.88 3a43 h LEU 15 Ca -0.00 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3a43 h LEU 15 Cb 0.70 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 3a43 h LEU 15 CO 0.00 0.46 0.02 0.44 0.09 0.00 0.00 178.44 179.45 3a43 h ASP 16 N 0.25 0.19 -0.43 -0.43 3.32 -1.43 -0.18 116.42 117.72 3a43 h ASP 16 Ca 0.05 -0.26 0.01 0.00 0.02 0.00 0.00 57.03 56.85 3a43 h ASP 16 Cb 0.46 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 3a43 h ASP 16 CO 0.03 0.40 0.28 0.22 -1.72 0.00 0.00 179.24 178.44 3a43 h TYR 17 N -0.02 0.52 -0.42 4.55 5.03 -1.38 -1.53 116.97 123.72 3a43 h TYR 17 Ca 0.04 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.36 3a43 h TYR 17 Cb 0.29 -0.17 -0.02 0.00 1.55 0.00 0.00 36.73 38.37 3a43 h TYR 17 CO 0.02 0.32 0.26 0.00 -1.32 0.00 0.00 178.16 177.44 3a43 h ALA 18 N 1.16 1.68 0.10 1.82 0.00 -1.17 -1.10 119.26 121.74 3a43 h ALA 18 Ca 0.16 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3a43 h ALA 18 Cb -0.05 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.57 3a43 h ALA 18 CO -0.04 0.29 -0.05 0.37 0.00 0.00 0.00 179.25 179.82 3a43 h GLN 19 N 0.57 -0.13 0.00 0.00 5.75 -0.12 -0.48 115.11 120.70 3a43 h GLN 19 Ca 0.15 0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.64 3a43 h GLN 19 Cb -0.04 0.03 -0.00 0.00 1.07 0.00 0.00 27.48 28.53 3a43 h GLN 19 CO -0.03 0.29 -0.11 0.07 -2.65 0.00 0.00 178.83 176.40 3a43 h ARG 20 N -0.59 0.00 0.00 1.69 0.11 -1.15 -2.11 114.38 112.33 3a43 h ARG 20 Ca -0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.07 3a43 h ARG 20 Cb 0.48 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.56 3a43 h ARG 20 CO 0.02 0.11 -0.25 -1.91 0.10 0.00 0.00 179.97 178.03 3a43 n GLU 21 N -3.35 0.05 -1.69 0.08 4.07 -0.43 -4.92 120.64 114.45 3a43 n GLU 21 Ca -0.01 0.02 -0.10 0.00 -0.06 0.00 0.00 57.16 57.02 3a43 n GLU 21 Cb 0.30 -1.54 -0.03 0.00 -0.06 0.00 0.00 31.44 30.11 3a43 n GLU 21 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3a43 n GLY 22 N 1.47 0.64 3.67 8.31 0.00 -0.79 -4.98 105.19 113.51 3a43 n GLY 22 Ca 0.06 -0.52 -0.34 0.00 0.00 0.00 0.00 46.02 45.21 3a43 n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a43 n ALA 23 N 0.02 0.04 0.49 4.61 0.00 -0.24 -4.72 120.51 120.71 3a43 n ALA 23 Ca -0.11 -0.25 0.06 0.00 0.00 0.00 0.00 53.44 53.14 3a43 n ALA 23 Cb 0.45 -2.22 -0.08 0.00 0.00 0.00 0.00 19.45 17.59 3a43 n ALA 23 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3a43 n SER 24 N -2.66 0.90 -3.60 0.00 3.41 0.14 -4.92 113.62 106.90 3a43 n SER 24 Ca 0.14 -0.64 -0.10 0.00 -0.26 0.00 0.00 58.87 58.01 3a43 n SER 24 Cb 0.50 1.13 -0.06 0.00 -0.26 0.00 0.00 64.21 65.53 3a43 n SER 24 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3a43 s ARG 25 N -2.39 0.53 -0.29 4.33 3.52 -1.18 -4.91 118.95 118.56 3a43 s ARG 25 Ca 0.03 0.23 -0.08 0.00 -0.13 0.00 0.00 55.73 55.78 3a43 s ARG 25 Cb 0.10 0.25 -0.01 0.00 -1.56 0.00 0.00 34.95 33.73 3a43 s ARG 25 CO 0.55 -0.15 0.11 0.08 -0.81 0.00 0.00 175.30 175.08 3a43 s VAL 26 N -0.79 4.37 -0.10 7.11 1.01 -0.58 -1.15 120.40 130.28 3a43 s VAL 26 Ca 0.00 -0.41 -0.05 0.00 0.00 0.00 0.00 61.98 61.52 3a43 s VAL 26 Cb -0.02 -3.18 -0.27 0.00 0.00 0.00 0.00 36.38 32.92 3a43 s VAL 26 CO -0.01 0.15 0.46 0.11 0.00 0.00 0.00 175.10 175.81 3a43 h LYS 27 N 8.29 0.26 -3.18 2.72 1.79 -0.64 -3.34 116.57 122.47 3a43 h LYS 27 Ca -0.34 -0.44 -0.06 0.00 -2.18 0.00 0.00 60.65 57.63 3a43 h LYS 27 Cb 1.15 0.16 -0.15 0.00 -1.58 0.00 0.00 32.23 31.82 3a43 h LYS 27 CO 0.60 1.15 -0.06 0.00 -1.08 0.00 0.00 179.45 180.06 3a43 s ALA 28 N -2.57 -1.03 -0.03 3.86 0.00 -1.04 -0.63 121.76 120.32 3a43 s ALA 28 Ca -0.19 0.17 -0.01 0.00 0.00 0.00 0.00 51.96 51.93 3a43 s ALA 28 Cb 0.07 0.54 0.03 0.00 0.00 0.00 0.00 23.12 23.76 3a43 s ALA 28 CO 0.79 -0.57 0.07 0.08 0.00 0.00 0.00 175.76 176.13 3a43 s VAL 29 N -3.18 -0.05 -0.17 0.00 1.01 0.20 -0.93 120.40 117.27 3a43 s VAL 29 Ca -0.01 0.19 -0.02 0.00 0.00 0.00 0.00 61.98 62.13 3a43 s VAL 29 Cb 0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 36.38 36.24 3a43 s VAL 29 CO -0.07 0.08 -0.08 -0.60 0.00 0.00 0.00 175.10 174.43 3a43 s ARG 30 N 1.01 3.43 -0.07 2.72 3.52 0.17 -0.48 118.95 129.25 3a43 s ARG 30 Ca -0.08 -0.63 0.05 0.00 -0.13 0.00 0.00 55.73 54.94 3a43 s ARG 30 Cb -0.11 -2.85 -0.01 0.00 -1.56 0.00 0.00 34.95 30.42 3a43 s ARG 30 CO -0.04 0.04 -0.24 0.08 -0.81 0.00 0.00 175.30 174.34 3a43 s VAL 31 N 0.84 1.99 -0.20 7.11 1.01 0.16 -1.00 120.40 130.31 3a43 s VAL 31 Ca -0.02 -1.01 -0.08 0.00 0.00 0.00 0.00 61.98 60.87 3a43 s VAL 31 Cb -0.15 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 3a43 s VAL 31 CO 0.01 0.55 0.08 -0.69 0.00 0.00 0.00 175.10 175.05 3a43 s VAL 32 N 0.05 4.81 -0.11 2.92 1.01 0.35 -0.11 120.40 129.33 3a43 s VAL 32 Ca -0.09 -0.02 0.03 0.00 0.00 0.00 0.00 61.98 61.89 3a43 s VAL 32 Cb -0.15 -3.19 0.01 0.00 0.00 0.00 0.00 36.38 33.05 3a43 s VAL 32 CO 0.05 0.43 -0.19 -0.76 0.00 0.00 0.00 175.10 174.63 3a43 s LEU 33 N 0.61 1.93 0.64 3.92 1.02 0.70 -1.25 118.68 126.24 3a43 s LEU 33 Ca 0.04 -0.50 -0.18 0.00 0.02 0.00 0.00 54.13 53.51 3a43 s LEU 33 Cb -0.13 -1.25 -0.01 0.00 0.02 0.00 0.00 46.19 44.82 3a43 s LEU 33 CO 0.01 0.08 1.26 -0.83 0.02 0.00 0.00 176.35 176.89 3a43 s GLY 34 N 0.68 2.78 0.00 -3.19 0.00 -0.15 -1.62 107.32 105.82 3a43 s GLY 34 Ca -0.12 1.12 0.17 0.00 0.00 0.00 0.00 44.72 45.89 3a43 s GLY 34 CO 0.03 1.54 1.55 -1.84 0.00 0.00 0.00 173.10 174.37 3a43 n GLU 35 N -1.89 0.01 0.03 2.90 0.28 -0.79 -2.29 120.64 118.89 3a43 n GLU 35 Ca 0.15 0.20 0.12 0.00 -0.16 0.00 0.00 57.16 57.48 3a43 n GLU 35 Cb 0.49 -1.50 0.31 0.00 1.43 0.00 0.00 31.44 32.17 3a43 n GLU 35 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 3a43 n LEU 36 N -1.49 0.50 -4.76 -1.84 4.77 -0.18 -4.63 117.00 109.37 3a43 n LEU 36 Ca 0.04 0.23 -0.41 0.00 -0.03 0.00 0.00 56.01 55.85 3a43 n LEU 36 Cb 0.20 -0.28 -0.02 0.00 -2.33 0.00 0.00 43.42 40.99 3a43 n LEU 36 CO 0.16 0.01 1.07 -1.10 -1.33 0.00 0.00 177.39 176.20 3a43 s GLN 37 N -3.07 4.27 0.00 3.23 -1.52 -0.97 -4.79 119.66 116.81 3a43 s GLN 37 Ca 0.10 2.32 0.23 0.00 -1.95 0.00 0.00 55.36 56.06 3a43 s GLN 37 Cb 0.16 -3.07 0.49 0.00 -0.22 0.00 0.00 33.01 30.37 3a43 s GLN 37 CO 0.66 -0.36 1.44 -0.40 -0.25 0.00 0.00 175.29 176.38 3a43 n ASP 38 N 1.52 3.63 -4.77 5.90 5.75 -1.26 -4.86 116.55 122.45 3a43 n ASP 38 Ca 0.04 -2.00 -0.36 0.00 -0.01 0.00 0.00 54.79 52.46 3a43 n ASP 38 Cb 0.40 -0.32 -0.01 0.00 -1.03 0.00 0.00 41.12 40.17 3a43 n ASP 38 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 3a43 s VAL 39 N -1.34 3.14 -0.36 2.12 -7.23 -1.26 -4.98 120.40 110.48 3a43 s VAL 39 Ca 0.42 0.80 -0.26 0.00 -1.81 0.00 0.00 61.98 61.12 3a43 s VAL 39 Cb 0.24 -3.37 0.02 0.00 0.56 0.00 0.00 36.38 33.82 3a43 s VAL 39 CO 0.32 -0.07 0.95 0.00 -0.31 0.00 0.00 175.10 175.99 3a43 s ALA 40 N -1.64 3.42 0.30 1.32 0.00 -1.26 -4.94 121.76 118.95 3a43 s ALA 40 Ca 0.67 -0.39 -0.02 0.00 0.00 0.00 0.00 51.96 52.23 3a43 s ALA 40 Cb -0.27 -3.56 0.44 0.00 0.00 0.00 0.00 23.12 19.73 3a43 s ALA 40 CO 0.31 -1.59 1.94 0.93 0.00 0.00 0.00 175.76 177.36 3a43 h GLU 41 N 8.43 1.03 -0.11 0.00 5.08 -2.00 -2.37 114.58 124.65 3a43 h GLU 41 Ca -0.23 -0.09 -0.07 0.00 -1.00 0.00 0.00 59.36 57.98 3a43 h GLU 41 Cb 1.08 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 3a43 h GLU 41 CO 0.99 0.72 -0.24 0.38 -1.00 0.00 0.00 179.01 179.86 3a43 h ASP 42 N 1.05 0.18 -0.29 1.42 -0.00 -2.00 -1.80 116.42 114.98 3a43 h ASP 42 Ca 0.28 -0.05 -0.07 0.00 -0.00 0.00 0.00 57.03 57.19 3a43 h ASP 42 Cb -0.05 -0.05 -0.01 0.00 -0.00 0.00 0.00 39.33 39.23 3a43 h ASP 42 CO -0.05 0.43 -0.09 0.40 -0.00 0.00 0.00 179.24 179.93 3a43 h ILE 43 N 0.17 1.29 -0.93 4.15 2.04 -1.85 -0.52 117.51 121.85 3a43 h ILE 43 Ca 0.03 -1.14 0.07 0.00 1.00 0.00 0.00 64.86 64.82 3a43 h ILE 43 Cb 0.53 1.43 -0.06 0.00 -0.74 0.00 0.00 36.82 37.98 3a43 h ILE 43 CO 0.04 0.36 0.60 0.58 0.00 0.00 0.00 178.15 179.73 3a43 h VAL 44 N 0.32 1.05 -0.32 1.67 2.07 -1.11 0.16 116.25 120.10 3a43 h VAL 44 Ca 0.07 -0.36 -0.10 0.00 0.82 0.00 0.00 66.70 67.13 3a43 h VAL 44 Cb 0.58 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 3a43 h VAL 44 CO 0.03 0.19 -0.20 0.11 0.02 0.00 0.00 177.57 177.72 3a43 h LYS 45 N 1.04 0.69 -0.59 1.57 1.57 -1.12 -0.13 116.57 119.61 3a43 h LYS 45 Ca 0.41 -0.32 0.04 0.00 -1.87 0.00 0.00 60.65 58.90 3a43 h LYS 45 Cb 0.23 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.49 3a43 h LYS 45 CO -0.16 0.93 0.33 0.35 -0.57 0.00 0.00 179.45 180.33 3a43 h PHE 46 N 0.45 0.62 -0.42 -1.35 3.57 -0.28 0.37 116.94 119.90 3a43 h PHE 46 Ca 0.06 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.44 3a43 h PHE 46 Cb 0.74 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 3a43 h PHE 46 CO 0.06 0.33 -0.31 0.00 -2.23 0.00 0.00 178.31 176.16 3a43 h ALA 47 N 1.28 0.65 -0.48 2.41 0.00 -0.61 -2.35 119.26 120.16 3a43 h ALA 47 Ca 0.25 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 3a43 h ALA 47 Cb 0.09 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3a43 h ALA 47 CO -0.14 0.68 0.29 0.52 0.00 0.00 0.00 179.25 180.60 3a43 h MET 48 N 0.79 0.66 -0.86 0.00 2.86 -0.41 -1.68 114.93 116.29 3a43 h MET 48 Ca 0.08 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3a43 h MET 48 Cb 0.89 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 32.37 3a43 h MET 48 CO 0.08 0.49 0.55 0.93 1.06 0.00 0.00 176.91 180.02 3a43 h GLU 49 N 0.64 1.15 -0.44 1.72 5.08 -0.83 0.25 114.58 122.15 3a43 h GLU 49 Ca 0.17 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.39 3a43 h GLU 49 Cb 0.00 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 28.98 3a43 h GLU 49 CO -0.03 0.78 0.01 1.96 -1.00 0.00 0.00 179.01 180.72 3a43 h GLN 50 N 1.17 0.70 0.00 2.33 1.08 -1.10 -1.90 115.11 117.40 3a43 h GLN 50 Ca 0.31 -0.17 -0.08 0.00 -1.45 0.00 0.00 58.65 57.26 3a43 h GLN 50 Cb -0.10 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.22 3a43 h GLN 50 CO -0.06 0.71 -0.40 -0.07 -0.95 0.00 0.00 178.83 178.06 3a43 h LEU 51 N 0.67 0.00 0.00 1.46 3.38 -0.77 -3.24 115.31 116.81 3a43 h LEU 51 Ca 0.14 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 3a43 h LEU 51 Cb 0.40 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3a43 h LEU 51 CO 0.01 0.40 -0.38 -0.26 0.09 0.00 0.00 178.44 178.30 3a43 h PHE 52 N 0.00 0.00 -2.57 1.13 0.05 -0.46 -3.45 116.94 111.65 3a43 h PHE 52 Ca -0.00 0.00 -0.58 0.00 3.82 0.00 0.00 57.97 61.21 3a43 h PHE 52 Cb 1.17 0.00 0.07 0.00 2.00 0.00 0.00 35.95 39.19 3a43 h PHE 52 CO 0.00 0.23 0.70 0.00 -0.18 0.00 0.00 178.31 179.06 3a43 n ALA 53 N -2.17 1.30 -0.90 2.45 0.00 -0.76 -1.03 120.51 119.39 3a43 n ALA 53 Ca 0.02 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.88 3a43 n ALA 53 Cb 0.63 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.76 3a43 n ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a43 n GLY 54 N 2.62 0.92 3.89 0.00 0.00 -1.26 -4.99 105.19 106.37 3a43 n GLY 54 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 3a43 n GLY 54 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3a43 s THR 55 N -3.54 2.15 -1.55 2.61 -4.23 -0.20 -5.00 115.64 105.89 3a43 s THR 55 Ca 0.00 -1.40 0.19 0.00 -1.18 0.00 0.00 61.69 59.30 3a43 s THR 55 Cb 0.00 -2.56 0.38 0.00 1.34 0.00 0.00 72.50 71.66 3a43 s THR 55 CO 0.00 0.00 1.59 2.30 -0.54 0.00 0.00 174.62 177.97 3a43 n ILE 56 N -1.68 0.33 1.03 2.99 -5.35 -1.26 -2.11 119.36 113.32 3a43 n ILE 56 Ca 0.02 0.08 0.12 0.00 -0.27 0.00 0.00 62.75 62.71 3a43 n ILE 56 Cb 0.63 -0.77 0.24 0.00 -1.74 0.00 0.00 39.64 38.00 3a43 n ILE 56 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3a43 n ALA 57 N -1.23 2.49 -1.75 -1.28 0.00 -1.26 -1.52 120.51 115.96 3a43 n ALA 57 Ca 0.10 -0.67 -0.42 0.00 0.00 0.00 0.00 53.44 52.46 3a43 n ALA 57 Cb 0.14 -0.93 -0.03 0.00 0.00 0.00 0.00 19.45 18.63 3a43 n ALA 57 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3a43 s GLU 58 N -1.91 4.13 0.00 0.00 2.12 -0.90 -1.24 118.70 120.91 3a43 s GLU 58 Ca 0.32 2.59 0.00 0.00 0.36 0.00 0.00 54.97 58.24 3a43 s GLU 58 Cb 0.20 -3.11 0.00 0.00 0.26 0.00 0.00 34.13 31.48 3a43 s GLU 58 CO 0.31 -0.75 0.00 0.41 -0.54 0.00 0.00 175.26 174.69 3a43 n GLY 59 N 3.98 1.10 3.70 -1.50 0.00 -1.26 -4.94 105.19 106.26 3a43 n GLY 59 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 3a43 n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a43 n ALA 60 N -1.21 1.43 -2.09 4.61 0.00 -0.37 -4.93 120.51 117.94 3a43 n ALA 60 Ca 0.00 0.37 -0.40 0.00 0.00 0.00 0.00 53.44 53.40 3a43 n ALA 60 Cb 0.00 -2.28 -0.05 0.00 0.00 0.00 0.00 19.45 17.12 3a43 n ALA 60 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3a43 s GLU 61 N -1.67 4.70 -0.17 0.00 2.02 0.19 -4.90 118.70 118.88 3a43 s GLU 61 Ca 0.57 1.37 -0.02 0.00 0.02 0.00 0.00 54.97 56.91 3a43 s GLU 61 Cb -0.57 -3.33 -0.01 0.00 0.10 0.00 0.00 34.13 30.32 3a43 s GLU 61 CO 0.60 0.37 -0.09 0.42 0.02 0.00 0.00 175.26 176.58 3a43 s ILE 62 N -0.53 3.20 -0.10 -1.63 1.01 -1.26 -0.63 121.20 121.26 3a43 s ILE 62 Ca 0.42 -0.58 0.04 0.00 0.00 0.00 0.00 60.65 60.53 3a43 s ILE 62 Cb -0.24 -2.40 -0.00 0.00 0.01 0.00 0.00 42.46 39.84 3a43 s ILE 62 CO 0.29 0.48 -0.23 -0.70 0.00 0.00 0.00 174.94 174.78 3a43 s GLU 63 N 0.86 3.07 -0.12 2.79 2.12 0.37 -4.98 118.70 122.81 3a43 s GLU 63 Ca -0.03 -0.87 -0.03 0.00 0.36 0.00 0.00 54.97 54.41 3a43 s GLU 63 Cb -0.15 -2.32 -0.03 0.00 0.26 0.00 0.00 34.13 31.88 3a43 s GLU 63 CO 0.01 0.18 0.00 -0.06 -0.54 0.00 0.00 175.26 174.85 3a43 s PHE 64 N 0.35 3.15 -0.04 5.30 2.99 -1.26 0.39 117.98 128.85 3a43 s PHE 64 Ca -0.18 0.07 0.03 0.00 0.00 0.00 0.00 56.93 56.85 3a43 s PHE 64 Cb -0.18 -1.87 0.00 0.00 0.00 0.00 0.00 43.02 40.97 3a43 s PHE 64 CO 0.09 0.31 -0.13 0.08 -0.00 0.00 0.00 175.22 175.56 3a43 s VAL 65 N -0.41 1.12 0.09 -0.44 1.01 0.85 -4.95 120.40 117.67 3a43 s VAL 65 Ca 0.08 -0.53 -0.28 0.00 0.00 0.00 0.00 61.98 61.24 3a43 s VAL 65 Cb -0.12 -0.99 -0.06 0.00 0.00 0.00 0.00 36.38 35.21 3a43 s VAL 65 CO 0.02 0.34 0.90 -0.70 0.00 0.00 0.00 175.10 175.66 3a43 s GLU 66 N 0.24 4.63 -0.30 2.72 2.12 -1.26 -0.22 118.70 126.64 3a43 s GLU 66 Ca -0.06 1.33 -0.07 0.00 0.36 0.00 0.00 54.97 56.53 3a43 s GLU 66 Cb -0.11 -3.37 0.01 0.00 0.26 0.00 0.00 34.13 30.91 3a43 s GLU 66 CO 0.02 0.23 0.09 -2.00 -0.54 0.00 0.00 175.26 173.06 3a43 s GLU 67 N -0.00 3.13 0.47 4.30 2.12 -0.64 -4.88 118.70 123.19 3a43 s GLU 67 Ca 0.44 -0.83 -0.24 0.00 0.36 0.00 0.00 54.97 54.70 3a43 s GLU 67 Cb -0.22 -3.39 -0.08 0.00 0.26 0.00 0.00 34.13 30.70 3a43 s GLU 67 CO 0.28 -0.43 1.20 0.39 -0.54 0.00 0.00 175.26 176.16 3a43 n GLU 68 N 4.88 1.66 -2.59 4.30 1.02 -1.26 -1.88 120.64 126.76 3a43 n GLU 68 Ca -0.14 0.60 -0.40 0.00 -0.02 0.00 0.00 57.16 57.19 3a43 n GLU 68 Cb 0.48 -2.33 -0.05 0.00 -0.02 0.00 0.00 31.44 29.52 3a43 n GLU 68 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3a43 s ALA 69 N -1.27 3.36 -0.06 0.62 0.00 -1.26 -3.37 121.76 119.78 3a43 s ALA 69 Ca 0.65 0.76 0.00 0.00 0.00 0.00 0.00 51.96 53.37 3a43 s ALA 69 Cb -0.49 -3.29 0.02 0.00 0.00 0.00 0.00 23.12 19.37 3a43 s ALA 69 CO 0.55 -0.04 -0.03 0.08 0.00 0.00 0.00 175.76 176.31 3a43 s VAL 70 N -0.84 0.53 0.13 0.00 1.01 -0.12 -3.87 120.40 117.25 3a43 s VAL 70 Ca 0.45 -0.05 0.09 0.00 0.00 0.00 0.00 61.98 62.46 3a43 s VAL 70 Cb -0.29 -0.60 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 3a43 s VAL 70 CO 0.36 0.25 -0.14 -0.36 0.00 0.00 0.00 175.10 175.21 3a43 s PHE 71 N 1.34 2.60 -0.22 5.22 0.40 -0.42 0.38 117.98 127.29 3a43 s PHE 71 Ca -0.04 -0.23 -0.01 0.00 -0.60 0.00 0.00 56.93 56.05 3a43 s PHE 71 Cb -0.13 -1.34 0.06 0.00 0.51 0.00 0.00 43.02 42.11 3a43 s PHE 71 CO -0.02 0.44 -0.01 0.21 0.70 0.00 0.00 175.22 176.53 3a43 s LYS 72 N -2.37 1.19 -0.07 0.44 2.20 0.13 -1.40 119.74 119.85 3a43 s LYS 72 Ca 0.21 -0.77 -0.29 0.00 -0.36 0.00 0.00 55.97 54.76 3a43 s LYS 72 Cb -0.10 -2.38 -0.06 0.00 -1.51 0.00 0.00 37.83 33.78 3a43 s LYS 72 CO 0.12 -0.63 1.85 0.00 -0.36 0.00 0.00 175.35 176.33 3a43 n ARG 74 N 7.62 1.26 -0.00 0.00 1.85 -1.22 0.59 116.66 126.76 3a43 n ARG 74 Ca 0.20 -0.26 0.01 0.00 -1.00 0.00 0.00 57.85 56.80 3a43 n ARG 74 Cb 0.43 -1.43 -0.01 0.00 -1.05 0.00 0.00 32.46 30.39 3a43 n ARG 74 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3a43 n ASN 75 N 0.14 4.61 0.00 2.89 4.13 -1.26 -4.75 115.26 121.02 3a43 n ASN 75 Ca 0.03 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.29 3a43 n ASN 75 Cb 0.41 1.02 0.00 0.00 -1.54 0.00 0.00 39.78 39.67 3a43 n ASN 75 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3a43 n ASN 77 N 0.00 -3.92 -4.78 0.00 3.02 0.20 -4.94 115.26 104.83 3a43 n ASN 77 Ca 0.00 0.30 -0.38 0.00 -0.03 0.00 0.00 54.58 54.47 3a43 n ASN 77 Cb 0.44 -3.54 -0.06 0.00 -0.61 0.00 0.00 39.78 36.02 3a43 n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3a43 s TYR 78 N -2.34 3.81 -0.13 3.10 5.04 -1.22 -4.75 117.35 120.85 3a43 s TYR 78 Ca 0.00 1.72 0.00 0.00 -2.44 0.00 0.00 57.07 56.35 3a43 s TYR 78 Cb 0.00 -2.85 -0.01 0.00 0.35 0.00 0.00 41.96 39.45 3a43 s TYR 78 CO 0.00 0.36 -0.15 -1.21 -1.34 0.00 0.00 175.55 173.21 3a43 s GLU 79 N -1.63 3.31 0.04 4.97 2.02 -1.26 -0.43 118.70 125.73 3a43 s GLU 79 Ca 0.44 -0.72 -0.05 0.00 0.02 0.00 0.00 54.97 54.66 3a43 s GLU 79 Cb -0.21 -2.59 -0.01 0.00 0.10 0.00 0.00 34.13 31.41 3a43 s GLU 79 CO 0.26 0.17 0.08 1.67 0.02 0.00 0.00 175.26 177.46 3a43 s TRP 80 N 0.44 0.23 0.19 1.61 -2.14 -0.50 -4.98 118.94 113.79 3a43 s TRP 80 Ca -0.11 -0.56 0.07 0.00 2.66 0.00 0.00 56.10 58.16 3a43 s TRP 80 Cb -0.16 -0.16 -0.04 0.00 -3.10 0.00 0.00 33.47 30.01 3a43 s TRP 80 CO 0.05 -0.36 0.07 0.15 -2.66 0.00 0.00 176.95 174.20 3a43 s LYS 81 N -2.70 2.64 0.35 3.25 1.02 -1.26 -1.31 119.74 121.73 3a43 s LYS 81 Ca -0.04 -1.04 0.07 0.00 0.02 0.00 0.00 55.97 54.98 3a43 s LYS 81 Cb -0.01 -2.47 0.76 0.00 -0.52 0.00 0.00 37.83 35.59 3a43 s LYS 81 CO -0.05 0.45 1.90 -0.07 -0.92 0.00 0.00 175.35 176.66 3a43 h LEU 82 N 2.40 0.69 0.00 3.17 3.38 -1.99 0.22 115.31 123.18 3a43 h LEU 82 Ca -0.47 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.53 3a43 h LEU 82 Cb 1.21 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3a43 h LEU 82 CO 0.60 0.39 0.00 2.29 0.09 0.00 0.00 178.44 181.81 3a43 n LYS 83 N -4.53 0.11 -0.32 1.13 2.85 -1.26 -4.05 118.16 112.08 3a43 n LYS 83 Ca 0.15 0.10 -0.00 0.00 -1.05 0.00 0.00 58.31 57.51 3a43 n LYS 83 Cb 0.37 -1.50 0.06 0.00 -0.65 0.00 0.00 35.03 33.31 3a43 n LYS 83 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 3a43 h GLU 84 N 0.00 -0.04 -5.66 -1.58 4.39 -1.34 -3.46 114.58 106.89 3a43 h GLU 84 Ca 0.00 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.36 3a43 h GLU 84 Cb 0.33 0.01 0.16 0.00 -0.10 0.00 0.00 28.75 29.15 3a43 h GLU 84 CO 0.00 -0.03 -0.75 1.55 -1.16 0.00 0.00 179.01 178.62 3a43 n VAL 85 N -5.50 -5.45 -0.27 3.13 3.14 -1.26 -4.76 118.33 107.37 3a43 n VAL 85 Ca 0.10 -0.41 0.18 0.00 -2.96 0.00 0.00 64.34 61.25 3a43 n VAL 85 Cb 0.41 -4.81 0.47 0.00 -1.06 0.00 0.00 33.84 28.85 3a43 n VAL 85 CO 0.00 0.00 0.00 0.11 -6.46 0.00 0.00 176.83 170.48 3a43 h LYS 86 N -2.03 0.47 -4.22 1.45 1.79 -1.94 -1.94 116.57 110.14 3a43 h LYS 86 Ca -0.58 -0.03 -0.63 0.00 -2.18 0.00 0.00 60.65 57.23 3a43 h LYS 86 Cb 1.34 -0.11 -0.40 0.00 -1.58 0.00 0.00 32.23 31.49 3a43 h LYS 86 CO 0.51 0.31 -0.73 0.16 -1.08 0.00 0.00 179.45 178.62 3a43 s ASP 87 N -5.56 4.48 -0.15 0.86 -4.77 -1.26 -5.09 116.67 105.17 3a43 s ASP 87 Ca -0.09 -2.02 -0.29 0.00 -3.30 0.00 0.00 52.55 46.85 3a43 s ASP 87 Cb 0.23 -1.35 -0.01 0.00 -1.09 0.00 0.00 42.92 40.70 3a43 s ASP 87 CO 0.79 -0.39 1.19 -0.54 0.70 0.00 0.00 175.17 176.92 3a43 s LYS 88 N 1.10 4.27 0.83 2.11 -0.14 -0.73 -4.99 119.74 122.20 3a43 s LYS 88 Ca 0.11 1.59 -0.17 0.00 -1.36 0.00 0.00 55.97 56.14 3a43 s LYS 88 Cb -0.19 -3.68 -0.11 0.00 -1.68 0.00 0.00 37.83 32.17 3a43 s LYS 88 CO -0.14 -0.61 -0.32 1.19 -0.76 0.00 0.00 175.35 174.72 3a43 n PHE 89 N 6.16 -3.61 -0.50 3.18 3.72 -1.26 -4.69 117.46 120.45 3a43 n PHE 89 Ca 0.13 0.17 0.41 0.00 -0.05 0.00 0.00 57.45 58.11 3a43 n PHE 89 Cb 0.46 -1.60 0.69 0.00 -0.94 0.00 0.00 39.48 38.09 3a43 n PHE 89 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 176.76 177.09 3a43 h ASP 90 N -0.72 0.18 -2.56 4.37 3.04 -2.04 -3.30 116.42 115.39 3a43 h ASP 90 Ca -0.43 0.14 -0.64 0.00 -3.24 0.00 0.00 57.03 52.86 3a43 h ASP 90 Cb 1.34 0.14 -0.15 0.00 -1.04 0.00 0.00 39.33 39.62 3a43 h ASP 90 CO 0.32 -0.22 0.63 -1.61 -2.04 0.00 0.00 179.24 176.32 3a43 s GLU 91 N -5.22 3.21 0.61 4.15 2.02 -1.26 -4.90 118.70 117.30 3a43 s GLU 91 Ca -0.07 -0.99 0.35 0.00 0.02 0.00 0.00 54.97 54.28 3a43 s GLU 91 Cb 0.30 -4.38 2.00 0.00 0.10 0.00 0.00 34.13 32.16 3a43 s GLU 91 CO 0.83 -1.83 2.27 0.07 0.02 0.00 0.00 175.26 176.63 3a43 h ARG 92 N 9.46 0.00 -4.90 1.61 -0.00 -1.90 -3.31 114.38 115.33 3a43 h ARG 92 Ca -0.20 0.00 -0.61 0.00 -0.00 0.00 0.00 59.98 59.17 3a43 h ARG 92 Cb 1.06 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 31.00 3a43 h ARG 92 CO 1.18 0.01 2.26 -0.89 -0.00 0.00 0.00 179.97 182.53 3a43 n ILE 93 N -3.51 2.85 -0.33 0.08 5.41 -1.26 -4.73 119.36 117.87 3a43 n ILE 93 Ca -0.03 -2.72 0.04 0.00 1.00 0.00 0.00 62.75 61.04 3a43 n ILE 93 Cb 0.10 -2.38 0.20 0.00 -0.71 0.00 0.00 39.64 36.85 3a43 n ILE 93 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 3a43 h LYS 94 N 7.65 0.90 -0.16 0.38 3.64 -1.95 -0.52 116.57 126.51 3a43 h LYS 94 Ca 0.43 -0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.80 3a43 h LYS 94 Cb 0.77 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 3a43 h LYS 94 CO 1.66 0.60 0.12 0.93 -2.27 0.00 0.00 179.45 180.49 3a43 h GLU 95 N 0.93 0.00 -0.07 1.90 5.08 -1.93 -1.70 114.58 118.79 3a43 h GLU 95 Ca 0.44 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.82 3a43 h GLU 95 Cb 0.38 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 3a43 h GLU 95 CO -0.24 0.00 0.06 0.22 -1.00 0.00 0.00 179.01 178.05 3a43 h ASP 96 N 0.00 0.00 -3.80 1.42 3.58 -1.47 -3.44 116.42 112.70 3a43 h ASP 96 Ca 0.08 0.00 -0.49 0.00 0.42 0.00 0.00 57.03 57.04 3a43 h ASP 96 Cb 0.32 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.35 3a43 h ASP 96 CO -0.00 0.00 0.37 -0.63 -2.88 0.00 0.00 179.24 176.09 3a43 s ILE 97 N -4.90 4.03 -0.13 2.25 1.01 -0.64 -5.06 121.20 117.76 3a43 s ILE 97 Ca -0.05 1.92 -0.01 0.00 0.00 0.00 0.00 60.65 62.51 3a43 s ILE 97 Cb 0.17 -4.17 0.04 0.00 0.01 0.00 0.00 42.46 38.50 3a43 s ILE 97 CO 0.63 0.36 -0.04 -1.00 0.00 0.00 0.00 174.94 174.89 3a43 s HIS 98 N -1.32 1.30 0.45 3.97 3.76 -1.26 -5.09 115.29 117.10 3a43 s HIS 98 Ca 0.45 -0.73 -0.12 0.00 -0.15 0.00 0.00 55.06 54.51 3a43 s HIS 98 Cb -0.24 -1.13 -0.06 0.00 1.11 0.00 0.00 32.58 32.25 3a43 s HIS 98 CO 0.30 -0.52 0.84 -0.06 -0.85 0.00 0.00 174.74 174.46 3a43 s PHE 99 N 1.77 3.48 -0.35 1.40 0.40 -1.26 -5.05 117.98 118.36 3a43 s PHE 99 Ca 0.03 1.15 -0.09 0.00 -0.60 0.00 0.00 56.93 57.41 3a43 s PHE 99 Cb -0.14 -2.54 0.02 0.00 0.51 0.00 0.00 43.02 40.88 3a43 s PHE 99 CO -0.07 -0.21 0.17 0.42 0.70 0.00 0.00 175.22 176.22 3a43 s ILE 100 N -2.50 4.38 0.30 0.64 1.01 -1.26 -5.01 121.20 118.76 3a43 s ILE 100 Ca 0.53 -0.81 0.06 0.00 0.00 0.00 0.00 60.65 60.43 3a43 s ILE 100 Cb -0.10 -3.39 0.30 0.00 0.01 0.00 0.00 42.46 39.28 3a43 s ILE 100 CO 0.33 -0.14 1.67 1.55 0.00 0.00 0.00 174.94 178.36 3a43 h PRO 101 N 8.36 0.32 0.00 2.79 0.13 -1.86 -1.50 132.00 140.24 3a43 h PRO 101 Ca -0.27 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3a43 h PRO 101 Cb 1.11 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.17 3a43 h PRO 101 CO 0.64 0.21 0.00 0.93 -0.23 0.00 0.00 178.00 179.55 3a43 h GLU 102 N 0.33 0.00 -0.05 0.86 3.07 -1.95 -3.06 114.58 113.77 3a43 h GLU 102 Ca 0.60 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 59.31 3a43 h GLU 102 Cb 1.21 0.00 -0.28 0.00 -0.84 0.00 0.00 28.75 28.84 3a43 h GLU 102 CO -0.58 0.00 -0.88 1.33 -1.40 0.00 0.00 179.01 177.48 3a43 n VAL 103 N -2.92 0.82 0.01 3.13 0.24 -0.64 -4.80 118.33 114.17 3a43 n VAL 103 Ca -0.01 -1.90 -0.08 0.00 -2.04 0.00 0.00 64.34 60.31 3a43 n VAL 103 Cb 0.16 0.59 -0.13 0.00 -1.47 0.00 0.00 33.84 32.99 3a43 n VAL 103 CO 0.00 0.00 0.00 1.62 -2.14 0.00 0.00 176.83 176.31 3a43 h VAL 104 N 4.99 1.18 -0.97 3.34 3.04 -1.25 -3.37 116.25 123.20 3a43 h VAL 104 Ca -0.14 -2.97 0.31 0.00 -1.01 0.00 0.00 66.70 62.89 3a43 h VAL 104 Cb 1.58 2.58 -0.15 0.00 -2.01 0.00 0.00 31.29 33.29 3a43 h VAL 104 CO 0.10 0.67 0.46 -0.74 -1.01 0.00 0.00 177.57 177.05 3a43 h HIS 105 N 0.00 0.73 -0.60 3.17 6.17 -1.87 0.21 115.15 122.96 3a43 h HIS 105 Ca -0.18 0.04 0.15 0.00 0.71 0.00 0.00 60.37 61.10 3a43 h HIS 105 Cb 1.91 -0.16 -0.03 0.00 2.52 0.00 0.00 27.41 31.65 3a43 h HIS 105 CO 0.00 -0.23 0.42 0.00 0.71 0.00 0.00 177.93 178.84 3a43 h ALA 106 N 1.85 2.40 -0.12 5.26 0.00 -1.97 0.30 119.26 126.98 3a43 h ALA 106 Ca 0.69 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.59 3a43 h ALA 106 Cb 1.57 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.37 3a43 h ALA 106 CO -0.65 -0.57 0.00 1.19 0.00 0.00 0.00 179.25 179.22 3a43 n PHE 107 N -4.40 0.14 -3.34 0.00 3.01 0.06 -4.80 117.46 108.13 3a43 n PHE 107 Ca 0.11 -0.07 -0.44 0.00 1.01 0.00 0.00 57.45 58.06 3a43 n PHE 107 Cb 0.59 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.98 3a43 n PHE 107 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3a43 s LEU 108 N -1.67 5.36 -0.29 4.37 1.43 0.10 -4.96 118.68 123.01 3a43 s LEU 108 Ca 0.34 -1.13 -0.14 0.00 -1.03 0.00 0.00 54.13 52.17 3a43 s LEU 108 Cb 0.18 -2.25 0.13 0.00 0.03 0.00 0.00 46.19 44.28 3a43 s LEU 108 CO 0.28 -0.67 0.80 0.00 0.23 0.00 0.00 176.35 176.99 3a43 s ALA 109 N 1.90 -2.22 -0.02 4.21 0.00 -1.26 -4.49 121.76 119.88 3a43 s ALA 109 Ca 0.07 2.27 -0.38 0.00 0.00 0.00 0.00 51.96 53.92 3a43 s ALA 109 Cb -0.22 -1.76 -0.17 0.00 0.00 0.00 0.00 23.12 20.97 3a43 s ALA 109 CO 0.09 -0.72 1.39 0.00 0.00 0.00 0.00 175.76 176.52 3a43 h PRO 111 N 4.90 -0.40 -0.23 0.00 0.13 -1.98 -3.38 132.00 131.05 3a43 h PRO 111 Ca -0.48 0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3a43 h PRO 111 Cb 1.35 0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.55 3a43 h PRO 111 CO 0.80 -0.07 0.12 0.87 -0.23 0.00 0.00 178.00 179.49 3a43 h LYS 112 N -0.94 0.32 0.00 0.86 1.79 -2.00 -3.45 116.57 113.14 3a43 h LYS 112 Ca -0.04 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 3a43 h LYS 112 Cb 0.51 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 3a43 h LYS 112 CO 0.07 0.30 0.00 0.00 -1.08 0.00 0.00 179.45 178.74 3a43 n GLY 114 N 5.00 -1.69 3.49 0.00 0.00 -1.26 -4.75 105.19 105.98 3a43 n GLY 114 Ca 0.00 -0.14 -0.09 0.00 0.00 0.00 0.00 46.02 45.79 3a43 n GLY 114 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3a43 s SER 115 N -2.47 -0.40 0.86 1.61 0.01 -1.26 -4.13 113.70 107.91 3a43 s SER 115 Ca 0.00 0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.27 3a43 s SER 115 Cb 0.00 0.42 0.00 0.00 0.21 0.00 0.00 66.02 66.65 3a43 s SER 115 CO 0.00 -0.68 0.00 1.41 0.41 0.00 0.00 173.24 174.38 3a43 n HIS 116 N -0.25 -1.71 -4.03 2.43 8.25 -1.26 -4.81 115.22 113.84 3a43 n HIS 116 Ca -0.10 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 56.96 3a43 n HIS 116 Cb 0.62 0.24 0.01 0.00 1.12 0.00 0.00 29.99 31.98 3a43 n HIS 116 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3a43 n ASP 117 N -2.44 -3.40 -2.86 0.41 2.03 -1.26 -4.74 116.55 104.28 3a43 n ASP 117 Ca 0.00 -1.22 -0.06 0.00 0.52 0.00 0.00 54.79 54.03 3a43 n ASP 117 Cb 0.00 -2.09 0.02 0.00 -0.72 0.00 0.00 41.12 38.32 3a43 n ASP 117 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 3a43 n PHE 118 N -4.78 -2.64 -4.30 -0.67 1.16 -1.26 -3.39 117.46 101.57 3a43 n PHE 118 Ca -0.15 -0.63 -0.21 0.00 -1.87 0.00 0.00 57.45 54.59 3a43 n PHE 118 Cb 0.60 -0.16 -0.16 0.00 -1.61 0.00 0.00 39.48 38.14 3a43 n PHE 118 CO 0.00 0.00 0.00 -2.00 -1.87 0.00 0.00 176.76 172.89 3a43 s GLU 119 N -2.76 1.05 -0.36 3.97 2.12 -0.40 -4.80 118.70 117.51 3a43 s GLU 119 Ca 0.17 -0.21 -0.26 0.00 0.36 0.00 0.00 54.97 55.03 3a43 s GLU 119 Cb -0.01 -0.97 0.02 0.00 0.26 0.00 0.00 34.13 33.42 3a43 s GLU 119 CO 0.11 -0.02 0.96 0.08 -0.54 0.00 0.00 175.26 175.85 3a43 s VAL 120 N 0.72 4.56 -0.08 3.70 1.01 -1.26 -0.69 120.40 128.35 3a43 s VAL 120 Ca -0.11 1.30 -0.11 0.00 0.00 0.00 0.00 61.98 63.06 3a43 s VAL 120 Cb -0.14 -4.36 -0.28 0.00 0.00 0.00 0.00 36.38 31.60 3a43 s VAL 120 CO 0.01 -0.54 0.54 0.58 0.00 0.00 0.00 175.10 175.69 3a43 h VAL 121 N 5.82 0.84 -3.74 2.92 2.07 -0.42 -3.49 116.25 120.25 3a43 h VAL 121 Ca -0.23 -2.43 -0.08 0.00 0.82 0.00 0.00 66.70 64.78 3a43 h VAL 121 Cb 1.07 2.66 -0.12 0.00 -1.52 0.00 0.00 31.29 33.38 3a43 h VAL 121 CO 0.99 0.84 -0.26 -0.54 0.02 0.00 0.00 177.57 178.63 3a43 s LYS 122 N -2.55 1.12 0.00 1.57 1.02 -0.98 -4.93 119.74 114.98 3a43 s LYS 122 Ca -0.19 -1.04 0.00 0.00 0.02 0.00 0.00 55.97 54.76 3a43 s LYS 122 Cb 0.06 0.40 0.00 0.00 -0.52 0.00 0.00 37.83 37.77 3a43 s LYS 122 CO 0.81 -0.41 0.00 0.41 -0.92 0.00 0.00 175.35 175.23 3a43 n GLY 123 N -0.20 0.77 0.11 -3.33 0.00 -1.22 -0.94 105.19 100.38 3a43 n GLY 123 Ca -0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 3a43 n GLY 123 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3a43 n ARG 124 N -2.22 0.40 -1.62 1.61 0.63 -1.26 -1.01 116.66 113.19 3a43 n ARG 124 Ca 0.00 0.10 -0.17 0.00 -0.92 0.00 0.00 57.85 56.86 3a43 n ARG 124 Cb 0.00 -1.31 0.10 0.00 0.45 0.00 0.00 32.46 31.70 3a43 n ARG 124 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3a43 n GLY 125 N 2.66 -0.15 2.92 5.14 0.00 -1.26 -4.53 105.19 109.97 3a43 n GLY 125 Ca -0.29 -1.88 -0.17 0.00 0.00 0.00 0.00 46.02 43.68 3a43 n GLY 125 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a43 s VAL 126 N -2.32 0.41 -0.00 1.61 1.01 -1.26 -0.98 120.40 118.87 3a43 s VAL 126 Ca 0.45 -0.14 -0.21 0.00 0.00 0.00 0.00 61.98 62.08 3a43 s VAL 126 Cb -0.02 -0.40 0.04 0.00 0.00 0.00 0.00 36.38 36.00 3a43 s VAL 126 CO 0.31 0.15 0.46 -0.72 0.00 0.00 0.00 175.10 175.30 3a43 s TYR 127 N 0.37 -0.36 -0.20 5.22 -0.85 -0.38 -5.00 117.35 116.14 3a43 s TYR 127 Ca -0.04 0.52 -0.28 0.00 -0.52 0.00 0.00 57.07 56.74 3a43 s TYR 127 Cb -0.08 0.24 0.00 0.00 0.38 0.00 0.00 41.96 42.51 3a43 s TYR 127 CO -0.00 -0.52 1.00 0.08 -1.52 0.00 0.00 175.55 174.58 3a43 s VAL 128 N -1.69 4.73 -0.08 -3.49 1.01 -1.26 -0.49 120.40 119.12 3a43 s VAL 128 Ca -0.10 1.97 -0.00 0.00 0.00 0.00 0.00 61.98 63.85 3a43 s VAL 128 Cb -0.02 -4.28 -0.25 0.00 0.00 0.00 0.00 36.38 31.82 3a43 s VAL 128 CO 0.04 -0.12 0.51 0.00 0.00 0.00 0.00 175.10 175.53 3a43 h ALA 129 N 7.39 0.53 -2.09 5.51 0.00 -1.42 -3.48 119.26 125.69 3a43 h ALA 129 Ca -0.23 -1.39 -0.06 0.00 0.00 0.00 0.00 54.91 53.23 3a43 h ALA 129 Cb 1.09 0.60 -0.20 0.00 0.00 0.00 0.00 17.79 19.27 3a43 h ALA 129 CO 0.93 1.39 0.10 0.20 0.00 0.00 0.00 179.25 181.88 3a43 s GLY 130 N -5.37 -0.51 -0.09 0.00 0.00 -1.18 -5.00 107.32 95.17 3a43 s GLY 130 Ca -0.15 1.45 0.01 0.00 0.00 0.00 0.00 44.72 46.03 3a43 s GLY 130 CO 0.80 1.14 -0.10 -0.42 0.00 0.00 0.00 173.10 174.51 3a43 s ILE 131 N -0.62 1.11 -0.26 0.90 1.01 -1.26 -0.66 121.20 121.43 3a43 s ILE 131 Ca -0.07 -0.41 -0.10 0.00 0.00 0.00 0.00 60.65 60.07 3a43 s ILE 131 Cb -0.02 -1.06 -0.05 0.00 0.01 0.00 0.00 42.46 41.34 3a43 s ILE 131 CO 0.06 0.36 0.15 -0.75 0.00 0.00 0.00 174.94 174.77 3a43 s LYS 132 N 1.11 3.94 0.33 2.79 2.20 -0.11 -4.98 119.74 125.02 3a43 s LYS 132 Ca -0.06 -0.33 0.04 0.00 -0.36 0.00 0.00 55.97 55.26 3a43 s LYS 132 Cb -0.14 -3.54 -0.07 0.00 -1.51 0.00 0.00 37.83 32.57 3a43 s LYS 132 CO -0.02 -0.08 0.05 0.96 -0.36 0.00 0.00 175.35 175.91 3a43 s ILE 133 N 1.44 1.28 0.00 5.43 -4.36 -1.26 0.13 121.20 123.85 3a43 s ILE 133 Ca 0.07 -2.00 0.07 0.00 -0.26 0.00 0.00 60.65 58.53 3a43 s ILE 133 Cb -0.15 -2.82 -0.02 0.00 1.25 0.00 0.00 42.46 40.72 3a43 s ILE 133 CO 0.07 -0.00 -0.22 -1.61 0.24 0.00 0.00 174.94 173.42 3a43 s GLU 134 N -3.87 1.68 0.18 0.37 2.02 -0.30 -4.87 118.70 113.90 3a43 s GLU 134 Ca 0.36 -0.83 0.04 0.00 0.02 0.00 0.00 54.97 54.56 3a43 s GLU 134 Cb 0.09 -1.68 -0.05 0.00 0.10 0.00 0.00 34.13 32.60 3a43 s GLU 134 CO 0.16 0.45 -0.07 0.15 0.02 0.00 0.00 175.26 175.97 3a43 s LYS 135 N -0.70 1.17 0.04 1.61 1.02 -1.26 0.27 119.74 121.89 3a43 s LYS 135 Ca 0.08 -1.54 0.00 0.00 0.02 0.00 0.00 55.97 54.54 3a43 s LYS 135 Cb -0.09 -0.64 -0.03 0.00 -0.52 0.00 0.00 37.83 36.56 3a43 s LYS 135 CO -0.00 0.02 -0.04 -1.21 -0.92 0.00 0.00 175.35 173.19 3a43 s GLU 136 N -3.79 0.50 0.00 1.68 2.02 -1.26 -4.93 118.70 112.92 3a43 s GLU 136 Ca 0.21 -0.89 0.00 0.00 0.02 0.00 0.00 54.97 54.31 3a43 s GLU 136 Cb 0.04 0.02 0.00 0.00 0.10 0.00 0.00 34.13 34.28 3a43 s GLU 136 CO 0.04 -0.04 0.00 0.41 0.02 0.00 0.00 175.26 175.69 3a43 n GLY 137 N 0.98 2.10 0.00 -1.39 0.00 -1.26 -5.08 105.19 100.54 3a43 n GLY 137 Ca -0.20 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.06 3a43 n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a43 n GLY 138 N 1.92 1.01 0.00 -0.02 0.00 -1.26 -5.29 105.19 101.55 3a43 n GLY 138 Ca 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.07 3a43 n GLY 138 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06