#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4b s SER 2 N 0.00 4.16 0.00 1.61 0.01 -1.26 -5.13 113.70 113.10 1x4b s SER 2 Ca 0.00 -0.75 0.00 0.00 1.31 0.00 0.00 55.95 56.51 1x4b s SER 2 Cb 0.00 -0.64 0.00 0.00 0.21 0.00 0.00 66.02 65.59 1x4b s SER 2 CO 0.00 0.04 0.00 -0.24 0.41 0.00 0.00 173.24 173.45 1x4b n SER 3 N -0.59 0.00 0.00 2.44 2.88 -1.26 -5.19 113.62 111.91 1x4b n SER 3 Ca -0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 1x4b n SER 3 Cb 0.58 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 1x4b n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4b n GLY 4 N -0.09 4.18 3.77 0.46 0.00 -1.26 -5.20 105.19 107.06 1x4b n GLY 4 Ca 0.00 -0.61 0.03 0.00 0.00 0.00 0.00 46.02 45.44 1x4b n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x4b s SER 5 N 0.00 -0.02 0.00 1.61 0.15 -1.26 -5.19 113.70 108.99 1x4b s SER 5 Ca 0.00 -0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.51 1x4b s SER 5 Cb 0.00 0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.43 1x4b s SER 5 CO 0.00 -0.24 0.00 -1.54 1.20 0.00 0.00 173.24 172.66 1x4b n SER 6 N -0.74 0.00 -3.88 5.45 3.41 -1.26 -5.19 113.62 111.41 1x4b n SER 6 Ca -0.03 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.61 1x4b n SER 6 Cb 0.61 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.57 1x4b n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x4b s GLY 7 N 0.00 -0.23 -0.31 5.00 0.00 -1.26 -5.14 107.32 105.38 1x4b s GLY 7 Ca 0.00 0.24 -0.09 0.00 0.00 0.00 0.00 44.72 44.88 1x4b s GLY 7 CO 0.00 5.28 0.99 1.06 0.00 0.00 0.00 173.10 180.43 1x4b s MET 8 N -2.04 0.21 -0.18 2.90 -1.94 -1.26 -5.14 119.30 111.85 1x4b s MET 8 Ca 0.28 0.12 -0.00 0.00 -1.71 0.00 0.00 55.69 54.38 1x4b s MET 8 Cb 0.01 0.07 0.01 0.00 2.01 0.00 0.00 34.83 36.93 1x4b s MET 8 CO -0.03 -0.37 -0.15 -2.00 -0.01 0.00 0.00 175.02 172.47 1x4b s GLU 9 N 2.70 3.14 1.29 2.03 2.56 -1.26 -5.11 118.70 124.05 1x4b s GLU 9 Ca 0.23 -0.76 -0.19 0.00 0.00 0.00 0.00 54.97 54.25 1x4b s GLU 9 Cb -0.02 -2.69 0.32 0.00 2.00 0.00 0.00 34.13 33.74 1x4b s GLU 9 CO -0.21 -0.15 1.00 0.15 -0.56 0.00 0.00 175.26 175.49 1x4b s LYS 10 N 1.21 -1.90 0.00 4.30 3.01 -1.26 -5.01 119.74 120.09 1x4b s LYS 10 Ca 0.02 0.31 0.00 0.00 -1.01 0.00 0.00 55.97 55.29 1x4b s LYS 10 Cb -0.14 -1.48 0.00 0.00 -1.01 0.00 0.00 37.83 35.20 1x4b s LYS 10 CO -0.07 -4.24 0.00 -2.37 0.51 0.00 0.00 175.35 169.18 1x4b n THR 11 N -5.20 0.00 -1.03 2.17 5.66 -1.26 -5.15 114.28 109.47 1x4b n THR 11 Ca 0.09 0.00 0.13 0.00 -3.05 0.00 0.00 64.05 61.23 1x4b n THR 11 Cb 0.58 -0.67 -0.05 0.00 -1.55 0.00 0.00 70.33 68.64 1x4b n THR 11 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1x4b n LEU 12 N -2.48 -0.61 -3.57 1.09 4.77 -1.26 -5.02 117.00 109.91 1x4b n LEU 12 Ca 0.00 1.38 -0.16 0.00 -0.03 0.00 0.00 56.01 57.20 1x4b n LEU 12 Cb 0.40 -3.31 -0.07 0.00 -2.33 0.00 0.00 43.42 38.12 1x4b n LEU 12 CO 0.00 -2.26 0.39 -1.83 -1.33 0.00 0.00 177.39 172.36 1x4b s GLU 13 N -2.74 0.95 -0.09 3.23 -1.05 -1.26 -5.08 118.70 112.68 1x4b s GLU 13 Ca 0.00 0.41 -0.06 0.00 -0.15 0.00 0.00 54.97 55.17 1x4b s GLU 13 Cb 0.00 0.45 0.02 0.00 -0.44 0.00 0.00 34.13 34.17 1x4b s GLU 13 CO 0.00 -0.25 0.13 2.41 0.95 0.00 0.00 175.26 178.49 1x4b n THR 14 N 1.44-10.91 -4.32 1.83 -1.04 -1.26 -4.99 114.28 95.03 1x4b n THR 14 Ca -0.18 2.43 -0.35 0.00 -2.04 0.00 0.00 64.05 63.91 1x4b n THR 14 Cb 0.56 -5.61 -0.10 0.00 -1.82 0.00 0.00 70.33 63.37 1x4b n THR 14 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1x4b s VAL 15 N -0.52 4.33 0.30 12.58 -7.23 -1.26 -5.09 120.40 123.51 1x4b s VAL 15 Ca -0.15 -0.23 -0.28 0.00 -1.81 0.00 0.00 61.98 59.51 1x4b s VAL 15 Cb 0.01 -2.85 -0.09 0.00 0.56 0.00 0.00 36.38 34.00 1x4b s VAL 15 CO 0.39 0.57 1.08 -2.16 -0.31 0.00 0.00 175.10 174.67 1x4b s PRO 16 N -0.55 4.56 -0.10 4.82 0.04 -1.26 -5.04 135.00 137.47 1x4b s PRO 16 Ca 0.09 1.72 -0.04 0.00 0.04 0.00 0.00 61.00 62.80 1x4b s PRO 16 Cb -0.12 -3.06 -0.04 0.00 0.04 0.00 0.00 34.50 31.33 1x4b s PRO 16 CO 0.02 0.16 0.08 -0.48 0.04 0.00 0.00 177.00 176.83 1x4b s LEU 17 N -1.68 4.04 0.09 -3.56 2.34 -1.26 -5.11 118.68 113.55 1x4b s LEU 17 Ca 0.47 0.32 -0.00 0.00 0.06 0.00 0.00 54.13 54.98 1x4b s LEU 17 Cb -0.29 -1.99 -0.04 0.00 -0.56 0.00 0.00 46.19 43.31 1x4b s LEU 17 CO 0.37 0.39 -0.01 -1.61 -1.06 0.00 0.00 176.35 174.43 1x4b s GLU 18 N -1.03 0.80 0.56 1.48 2.02 -1.26 -5.01 118.70 116.26 1x4b s GLU 18 Ca 0.15 -1.34 0.34 0.00 0.02 0.00 0.00 54.97 54.14 1x4b s GLU 18 Cb -0.12 0.08 1.49 0.00 0.10 0.00 0.00 34.13 35.68 1x4b s GLU 18 CO 0.04 -0.13 1.79 0.07 0.02 0.00 0.00 175.26 177.05 1x4b h ARG 19 N 2.99 0.00 0.00 1.61 0.11 -2.06 -3.44 114.38 113.59 1x4b h ARG 19 Ca -0.35 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.73 1x4b h ARG 19 Cb 1.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.25 1x4b h ARG 19 CO 0.64 0.00 0.00 1.63 0.10 0.00 0.00 179.97 182.34 1x4b n LYS 20 N -4.02 0.00 0.00 0.08 4.76 -1.26 -4.90 118.16 112.82 1x4b n LYS 20 Ca 0.21 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.65 1x4b n LYS 20 Cb 1.14 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 34.33 1x4b n LYS 20 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1x4b n LYS 21 N 0.00 0.00 -3.18 1.97 4.81 -1.26 -5.01 118.16 115.49 1x4b n LYS 21 Ca 0.00 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.23 1x4b n LYS 21 Cb 0.00 0.00 0.02 0.00 0.02 0.00 0.00 35.03 35.07 1x4b n LYS 21 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1x4b n ARG 22 N -0.82 -2.06 0.03 1.64 3.00 -1.26 -4.92 116.66 112.27 1x4b n ARG 22 Ca 0.00 1.73 -0.22 0.00 -0.01 0.00 0.00 57.85 59.35 1x4b n ARG 22 Cb 0.00 -3.52 -0.14 0.00 0.00 0.00 0.00 32.46 28.80 1x4b n ARG 22 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1x4b h GLU 23 N 2.29 0.29 -0.42 5.56 4.39 -1.98 -3.28 114.58 121.44 1x4b h GLU 23 Ca -0.26 -0.50 0.12 0.00 0.34 0.00 0.00 59.36 59.06 1x4b h GLU 23 Cb 1.11 0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 29.93 1x4b h GLU 23 CO 0.19 1.24 0.31 -0.22 -1.16 0.00 0.00 179.01 179.36 1x4b h LYS 24 N -0.11 0.00 0.31 2.33 1.63 -1.98 0.57 116.57 119.32 1x4b h LYS 24 Ca -0.34 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.44 1x4b h LYS 24 Cb 1.92 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.55 1x4b h LYS 24 CO 0.10 0.00 -0.15 1.49 -3.45 0.00 0.00 179.45 177.44 1x4b h GLU 25 N 0.00 -0.40 -0.19 1.90 4.81 -1.93 -2.17 114.58 116.59 1x4b h GLU 25 Ca 0.20 0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.51 1x4b h GLU 25 Cb 0.81 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.27 1x4b h GLU 25 CO -0.00 -0.27 0.14 -0.56 -0.73 0.00 0.00 179.01 177.59 1x4b h GLN 26 N -0.62 0.00 -0.14 1.92 3.07 -1.51 0.03 115.11 117.86 1x4b h GLN 26 Ca -0.04 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.70 1x4b h GLN 26 Cb 0.32 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.87 1x4b h GLN 26 CO 0.07 0.00 0.08 0.74 0.09 0.00 0.00 178.83 179.81 1x4b h PHE 27 N 0.00 0.18 -1.17 0.06 -1.00 0.15 -3.05 116.94 112.11 1x4b h PHE 27 Ca 0.09 -0.00 -0.63 0.00 2.81 0.00 0.00 57.97 60.24 1x4b h PHE 27 Cb 0.37 -0.06 -0.36 0.00 3.61 0.00 0.00 35.95 39.51 1x4b h PHE 27 CO 0.00 0.19 -0.03 0.54 -1.61 0.00 0.00 178.31 177.39 1x4b n ARG 28 N -4.95 3.19 -3.79 1.51 3.00 -0.67 -4.92 116.66 110.03 1x4b n ARG 28 Ca -0.05 -3.89 -0.27 0.00 -0.01 0.00 0.00 57.85 53.63 1x4b n ARG 28 Cb 0.07 -2.28 -0.17 0.00 0.00 0.00 0.00 32.46 30.08 1x4b n ARG 28 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 1x4b s LYS 29 N -3.73 0.86 -0.10 5.56 2.20 -0.09 -3.04 119.74 121.41 1x4b s LYS 29 Ca 0.54 -0.36 -0.03 0.00 -0.36 0.00 0.00 55.97 55.77 1x4b s LYS 29 Cb 0.44 -1.88 -0.03 0.00 -1.51 0.00 0.00 37.83 34.85 1x4b s LYS 29 CO -0.09 -0.52 0.02 -0.51 -0.36 0.00 0.00 175.35 173.88 1x4b s LEU 30 N 1.81 3.65 -0.39 5.43 1.02 -0.68 -4.24 118.68 125.28 1x4b s LEU 30 Ca 0.00 0.15 -0.17 0.00 0.02 0.00 0.00 54.13 54.14 1x4b s LEU 30 Cb -0.16 -1.85 0.01 0.00 0.02 0.00 0.00 46.19 44.21 1x4b s LEU 30 CO -0.07 0.36 0.42 0.12 0.02 0.00 0.00 176.35 177.19 1x4b s PHE 31 N -0.75 3.18 -0.08 0.29 2.19 0.13 0.03 117.98 122.98 1x4b s PHE 31 Ca 0.12 -0.20 -0.25 0.00 0.33 0.00 0.00 56.93 56.92 1x4b s PHE 31 Cb -0.12 -2.82 -0.03 0.00 -1.31 0.00 0.00 43.02 38.75 1x4b s PHE 31 CO 0.02 -0.59 0.80 0.42 1.83 0.00 0.00 175.22 177.71 1x4b s ILE 32 N 2.12 4.96 -0.08 3.12 -1.09 0.68 0.70 121.20 131.61 1x4b s ILE 32 Ca 0.13 1.64 0.04 0.00 -2.23 0.00 0.00 60.65 60.23 1x4b s ILE 32 Cb -0.17 -4.13 -0.01 0.00 -1.58 0.00 0.00 42.46 36.57 1x4b s ILE 32 CO 0.13 0.16 -0.21 -0.83 -1.23 0.00 0.00 174.94 172.96 1x4b s GLY 33 N 0.96 1.39 -0.00 6.18 0.00 -0.32 -0.98 107.32 114.54 1x4b s GLY 33 Ca 0.41 -1.00 -0.00 0.00 0.00 0.00 0.00 44.72 44.13 1x4b s GLY 33 CO 0.19 -0.53 0.00 0.61 0.00 0.00 0.00 173.10 173.36 1x4b n GLY 34 N 3.03 -0.46 0.40 0.20 0.00 0.32 -0.84 105.19 107.83 1x4b n GLY 34 Ca -0.18 -0.16 0.12 0.00 0.00 0.00 0.00 46.02 45.80 1x4b n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x4b n LEU 35 N -0.79 1.62 0.00 0.99 4.77 0.30 -4.27 117.00 119.61 1x4b n LEU 35 Ca 0.00 -0.55 0.00 0.00 -0.03 0.00 0.00 56.01 55.43 1x4b n LEU 35 Cb 0.29 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1x4b n LEU 35 CO 0.00 0.30 0.00 -1.54 -1.33 0.00 0.00 177.39 174.82 1x4b n SER 36 N -0.26 0.00 0.00 -1.43 3.41 -1.26 -2.99 113.62 111.08 1x4b n SER 36 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 1x4b n SER 36 Cb 0.42 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 1x4b n SER 36 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1x4b n PHE 37 N -2.00 0.00 0.19 7.33 3.72 -1.26 -4.75 117.46 120.69 1x4b n PHE 37 Ca 0.00 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.45 1x4b n PHE 37 Cb 0.00 -0.33 0.08 0.00 -0.94 0.00 0.00 39.48 38.29 1x4b n PHE 37 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1x4b n GLU 38 N -2.00 1.44 -3.64 -1.08 -0.58 -1.23 -4.70 120.64 108.85 1x4b n GLU 38 Ca 0.00 -1.48 -0.40 0.00 -0.42 0.00 0.00 57.16 54.86 1x4b n GLU 38 Cb 0.00 -1.22 -0.11 0.00 -0.57 0.00 0.00 31.44 29.54 1x4b n GLU 38 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1x4b s THR 39 N -0.92 4.31 0.94 2.62 2.01 -1.16 -5.03 115.64 118.41 1x4b s THR 39 Ca 0.16 -0.98 -0.14 0.00 0.31 0.00 0.00 61.69 61.04 1x4b s THR 39 Cb 0.10 -3.43 0.20 0.00 0.01 0.00 0.00 72.50 69.37 1x4b s THR 39 CO 0.14 -0.24 1.28 0.42 -0.69 0.00 0.00 174.62 175.53 1x4b s THR 40 N 1.50 2.01 0.13 -0.82 -4.23 -1.26 -4.77 115.64 108.20 1x4b s THR 40 Ca 0.01 -0.10 -0.23 0.00 -1.18 0.00 0.00 61.69 60.19 1x4b s THR 40 Cb -0.19 -2.92 -0.02 0.00 1.34 0.00 0.00 72.50 70.71 1x4b s THR 40 CO 0.05 0.00 1.65 -0.33 -0.54 0.00 0.00 174.62 175.45 1x4b h GLU 41 N -1.51 -0.25 0.53 3.99 5.08 -1.95 0.10 114.58 120.57 1x4b h GLU 41 Ca -0.43 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 57.92 1x4b h GLU 41 Cb 1.23 0.06 0.01 0.00 0.50 0.00 0.00 28.75 30.54 1x4b h GLU 41 CO 0.36 -0.17 -0.26 0.93 -1.00 0.00 0.00 179.01 178.88 1x4b h GLU 42 N -0.26 -0.69 -1.26 2.33 5.08 -1.93 0.20 114.58 118.05 1x4b h GLU 42 Ca 0.10 0.05 0.46 0.00 -1.00 0.00 0.00 59.36 58.96 1x4b h GLU 42 Cb 0.40 0.16 -0.15 0.00 0.50 0.00 0.00 28.75 29.65 1x4b h GLU 42 CO -0.27 -0.46 0.77 0.43 -1.00 0.00 0.00 179.01 178.48 1x4b n SER 43 N -4.13 0.26 0.13 1.42 7.64 -1.17 0.77 113.62 118.54 1x4b n SER 43 Ca -0.09 1.47 -0.09 0.00 1.01 0.00 0.00 58.87 61.18 1x4b n SER 43 Cb 0.28 -0.72 -0.05 0.00 -1.01 0.00 0.00 64.21 62.71 1x4b n SER 43 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1x4b h LEU 44 N 0.00 -0.34 -0.84 -3.43 5.85 -0.50 -3.27 115.31 112.78 1x4b h LEU 44 Ca 0.87 -0.12 0.19 0.00 0.84 0.00 0.00 57.88 59.66 1x4b h LEU 44 Cb 2.65 0.09 -0.11 0.00 0.37 0.00 0.00 40.66 43.65 1x4b h LEU 44 CO -0.56 0.14 0.34 0.03 -0.34 0.00 0.00 178.44 178.05 1x4b h ARG 45 N -1.03 0.39 -0.57 1.25 3.08 0.33 0.98 114.38 118.81 1x4b h ARG 45 Ca -0.04 -0.02 0.17 0.00 0.07 0.00 0.00 59.98 60.15 1x4b h ARG 45 Cb 0.44 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 1x4b h ARG 45 CO 0.07 0.26 0.73 -0.97 -1.07 0.00 0.00 179.97 178.99 1x4b h ASN 46 N 0.40 0.00 0.02 7.04 -1.24 0.31 1.50 115.58 123.62 1x4b h ASN 46 Ca 0.50 0.00 -0.32 0.00 0.71 0.00 0.00 56.30 57.19 1x4b h ASN 46 Cb 0.89 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.90 1x4b h ASN 46 CO -0.49 0.00 -1.75 0.00 -1.29 0.00 0.00 177.43 173.89 1x4b n TYR 47 N -3.41 0.77 0.07 0.67 9.36 0.33 -4.21 117.16 120.74 1x4b n TYR 47 Ca 0.12 0.29 -0.03 0.00 3.32 0.00 0.00 57.90 61.59 1x4b n TYR 47 Cb 0.93 -1.08 0.14 0.00 -0.63 0.00 0.00 39.34 38.70 1x4b n TYR 47 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1x4b n TYR 48 N -4.16 1.16 0.16 2.98 4.02 0.38 -3.63 117.16 118.06 1x4b n TYR 48 Ca -0.38 -0.68 0.11 0.00 -0.01 0.00 0.00 57.90 56.94 1x4b n TYR 48 Cb 0.81 -0.41 -0.14 0.00 -0.02 0.00 0.00 39.34 39.57 1x4b n TYR 48 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1x4b n GLU 49 N 0.05 0.55 0.14 -0.72 1.02 0.49 -3.98 120.64 118.18 1x4b n GLU 49 Ca 0.19 -0.14 -0.06 0.00 -0.02 0.00 0.00 57.16 57.13 1x4b n GLU 49 Cb 0.84 -1.54 -0.03 0.00 -0.02 0.00 0.00 31.44 30.69 1x4b n GLU 49 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1x4b h GLN 50 N 0.00 -0.40 -0.95 3.49 4.20 -1.79 -3.26 115.11 116.40 1x4b h GLN 50 Ca 0.00 0.03 0.20 0.00 0.06 0.00 0.00 58.65 58.94 1x4b h GLN 50 Cb 0.92 0.09 -0.11 0.00 0.30 0.00 0.00 27.48 28.68 1x4b h GLN 50 CO 0.00 -0.27 0.53 -1.49 -0.67 0.00 0.00 178.83 176.93 1x4b h TRP 51 N -0.96 0.91 -1.45 2.96 6.55 -1.81 -3.44 115.95 118.70 1x4b h TRP 51 Ca -0.04 0.04 0.27 0.00 0.95 0.00 0.00 58.89 60.10 1x4b h TRP 51 Cb 0.32 -0.26 -0.18 0.00 -0.86 0.00 0.00 29.16 28.18 1x4b h TRP 51 CO 0.01 0.12 0.82 0.20 -1.05 0.00 0.00 178.44 178.55 1x4b s GLY 52 N -3.76 -0.30 -0.14 1.49 0.00 -1.23 -4.56 107.32 98.83 1x4b s GLY 52 Ca -0.11 1.54 -0.27 0.00 0.00 0.00 0.00 44.72 45.88 1x4b s GLY 52 CO 0.79 0.50 0.90 0.54 0.00 0.00 0.00 173.10 175.84 1x4b s LYS 53 N -2.39 4.36 -0.28 2.90 1.02 -1.25 -3.57 119.74 120.52 1x4b s LYS 53 Ca 0.10 1.18 -0.29 0.00 0.02 0.00 0.00 55.97 56.97 1x4b s LYS 53 Cb -0.00 -3.56 0.01 0.00 -0.52 0.00 0.00 37.83 33.76 1x4b s LYS 53 CO -0.04 -0.31 1.10 -0.51 -0.92 0.00 0.00 175.35 174.66 1x4b s LEU 54 N 2.05 4.00 0.43 3.17 1.43 -1.26 -1.82 118.68 126.68 1x4b s LEU 54 Ca 0.43 1.22 0.29 0.00 -1.03 0.00 0.00 54.13 55.04 1x4b s LEU 54 Cb -0.17 -3.54 1.09 0.00 0.03 0.00 0.00 46.19 43.59 1x4b s LEU 54 CO 0.15 -0.82 1.84 0.71 0.23 0.00 0.00 176.35 178.46 1x4b h THR 55 N 5.64 0.00 -1.97 5.49 1.35 0.18 -3.43 112.91 120.18 1x4b h THR 55 Ca -0.21 -0.49 0.07 0.00 -0.55 0.00 0.00 66.41 65.23 1x4b h THR 55 Cb 1.07 1.42 -0.20 0.00 -1.73 0.00 0.00 68.15 68.70 1x4b h THR 55 CO 1.01 0.00 -0.07 -0.62 -0.25 0.00 0.00 175.52 175.59 1x4b s ASP 56 N -5.25 -1.07 -0.13 5.36 -1.08 -1.14 -5.01 116.67 108.34 1x4b s ASP 56 Ca 0.04 1.54 -0.00 0.00 -0.52 0.00 0.00 52.55 53.60 1x4b s ASP 56 Cb 0.09 2.02 0.03 0.00 -1.46 0.00 0.00 42.92 43.59 1x4b s ASP 56 CO 0.52 -0.22 -0.09 0.00 0.52 0.00 0.00 175.17 175.90 1x4b s VAL 58 N 1.63 1.97 -0.21 0.00 1.01 -0.43 -4.92 120.40 119.45 1x4b s VAL 58 Ca 0.04 -1.06 0.01 0.00 0.00 0.00 0.00 61.98 60.97 1x4b s VAL 58 Cb -0.13 -1.64 0.05 0.00 0.00 0.00 0.00 36.38 34.65 1x4b s VAL 58 CO -0.09 0.56 -0.09 0.54 0.00 0.00 0.00 175.10 176.01 1x4b s VAL 59 N -0.49 1.64 0.37 2.92 0.11 -1.26 0.23 120.40 123.91 1x4b s VAL 59 Ca 0.07 -1.07 -0.27 0.00 -2.93 0.00 0.00 61.98 57.77 1x4b s VAL 59 Cb -0.10 -1.76 -0.09 0.00 -1.53 0.00 0.00 36.38 32.90 1x4b s VAL 59 CO -0.00 0.11 1.26 -0.04 -3.33 0.00 0.00 175.10 173.10 1x4b s MET 60 N 1.38 4.18 0.04 1.54 -1.94 -0.11 -4.93 119.30 119.45 1x4b s MET 60 Ca -0.02 2.09 0.09 0.00 -1.71 0.00 0.00 55.69 56.13 1x4b s MET 60 Cb -0.17 -2.89 -0.03 0.00 2.01 0.00 0.00 34.83 33.75 1x4b s MET 60 CO -0.08 -0.29 -0.26 1.03 -0.01 0.00 0.00 175.02 175.41 1x4b s ARG 61 N -2.03 1.86 -0.16 2.03 0.52 -1.26 -0.73 118.95 119.18 1x4b s ARG 61 Ca 0.53 -1.08 -0.42 0.00 -0.52 0.00 0.00 55.73 54.25 1x4b s ARG 61 Cb -0.37 -2.00 -0.19 0.00 0.52 0.00 0.00 34.95 32.91 1x4b s ARG 61 CO 0.48 0.52 1.34 -0.25 0.02 0.00 0.00 175.30 177.41 1x4b n ASP 62 N 1.86 0.88 0.01 0.23 8.00 -1.25 -4.57 116.55 121.71 1x4b n ASP 62 Ca -0.17 1.15 0.11 0.00 0.71 0.00 0.00 54.79 56.59 1x4b n ASP 62 Cb 0.52 -0.98 0.46 0.00 -0.02 0.00 0.00 41.12 41.10 1x4b n ASP 62 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1x4b n PRO 63 N 2.83 0.01 -0.06 -0.24 -0.04 -1.26 0.15 135.00 136.40 1x4b n PRO 63 Ca 0.24 0.14 -0.09 0.00 -0.04 0.00 0.00 63.50 63.74 1x4b n PRO 63 Cb 0.06 -1.52 -0.05 0.00 -0.04 0.00 0.00 33.50 31.95 1x4b n PRO 63 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x4b n ALA 64 N -1.52 1.84 0.09 0.55 0.00 -1.26 -4.66 120.51 115.56 1x4b n ALA 64 Ca 0.05 -0.50 -0.17 0.00 0.00 0.00 0.00 53.44 52.82 1x4b n ALA 64 Cb 0.26 0.25 -0.14 0.00 0.00 0.00 0.00 19.45 19.82 1x4b n ALA 64 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1x4b h SER 65 N -0.10 0.44 -4.48 0.00 0.02 -1.93 -3.48 113.55 104.03 1x4b h SER 65 Ca -0.28 -0.51 -0.27 0.00 -0.84 0.00 0.00 61.79 59.89 1x4b h SER 65 Cb 1.38 -0.14 0.10 0.00 0.14 0.00 0.00 62.40 63.88 1x4b h SER 65 CO -0.07 1.41 -0.50 0.29 -1.14 0.00 0.00 176.83 176.82 1x4b n LYS 66 N -3.52 -5.46 0.00 3.45 4.76 0.39 -4.93 118.16 112.86 1x4b n LYS 66 Ca -0.12 0.59 0.00 0.00 -2.87 0.00 0.00 58.31 55.92 1x4b n LYS 66 Cb 1.04 -4.90 0.00 0.00 -1.84 0.00 0.00 35.03 29.32 1x4b n LYS 66 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1x4b n ARG 67 N -3.59 0.00 -3.67 1.97 5.12 -1.25 -4.88 116.66 110.36 1x4b n ARG 67 Ca -0.04 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.78 1x4b n ARG 67 Cb 0.56 0.00 -0.09 0.00 -1.16 0.00 0.00 32.46 31.77 1x4b n ARG 67 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1x4b s SER 68 N -0.52 -0.69 0.00 0.55 0.01 -1.26 -4.55 113.70 107.25 1x4b s SER 68 Ca 0.00 1.19 -0.03 0.00 1.31 0.00 0.00 55.95 58.42 1x4b s SER 68 Cb 0.00 1.11 -0.28 0.00 0.21 0.00 0.00 66.02 67.06 1x4b s SER 68 CO 0.00 -0.21 0.86 0.03 0.41 0.00 0.00 173.24 174.33 1x4b h ARG 69 N 6.50 0.25 0.00 12.44 2.47 -1.17 -3.31 114.38 131.56 1x4b h ARG 69 Ca -0.32 -0.43 0.00 0.00 -1.26 0.00 0.00 59.98 57.97 1x4b h ARG 69 Cb 1.20 0.16 0.00 0.00 -1.65 0.00 0.00 29.97 29.68 1x4b h ARG 69 CO 0.20 1.12 0.00 0.41 0.56 0.00 0.00 179.97 182.26 1x4b n GLY 70 N 1.67 1.16 3.54 0.04 0.00 -1.25 -4.84 105.19 105.51 1x4b n GLY 70 Ca -0.16 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.68 1x4b n GLY 70 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1x4b s PHE 71 N -2.00 -0.68 0.00 1.61 -0.12 -1.26 0.12 117.98 115.65 1x4b s PHE 71 Ca 0.00 1.26 0.00 0.00 -0.05 0.00 0.00 56.93 58.14 1x4b s PHE 71 Cb 0.00 0.39 0.00 0.00 -0.63 0.00 0.00 43.02 42.78 1x4b s PHE 71 CO 0.00 -0.57 0.00 0.41 -0.05 0.00 0.00 175.22 175.01 1x4b n GLY 72 N 1.22 3.44 3.08 1.99 0.00 -0.16 -0.94 105.19 113.83 1x4b n GLY 72 Ca -0.18 -0.79 -0.18 0.00 0.00 0.00 0.00 46.02 44.86 1x4b n GLY 72 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x4b s PHE 73 N -2.20 0.96 -0.19 1.61 0.40 0.13 -0.23 117.98 118.47 1x4b s PHE 73 Ca 0.00 -0.28 0.01 0.00 -0.60 0.00 0.00 56.93 56.05 1x4b s PHE 73 Cb 0.00 -0.59 0.04 0.00 0.51 0.00 0.00 43.02 42.98 1x4b s PHE 73 CO 0.00 -0.00 -0.10 0.14 0.70 0.00 0.00 175.22 175.95 1x4b s VAL 74 N -0.63 1.57 -0.46 -0.44 -7.23 0.10 -1.32 120.40 112.00 1x4b s VAL 74 Ca 0.01 -0.91 -0.14 0.00 -1.81 0.00 0.00 61.98 59.13 1x4b s VAL 74 Cb -0.06 -1.63 0.08 0.00 0.56 0.00 0.00 36.38 35.32 1x4b s VAL 74 CO 0.00 0.21 0.36 -0.89 -0.31 0.00 0.00 175.10 174.47 1x4b s THR 75 N 1.44 4.92 1.03 5.32 2.01 0.80 -1.69 115.64 129.46 1x4b s THR 75 Ca -0.00 -1.18 -0.13 0.00 0.31 0.00 0.00 61.69 60.68 1x4b s THR 75 Cb -0.16 -3.97 0.20 0.00 0.01 0.00 0.00 72.50 68.59 1x4b s THR 75 CO -0.09 -0.57 1.10 -0.36 -0.69 0.00 0.00 174.62 174.02 1x4b s PHE 76 N 1.57 1.92 -0.04 4.92 0.08 -1.17 0.19 117.98 125.45 1x4b s PHE 76 Ca 0.04 0.88 -0.12 0.00 0.12 0.00 0.00 56.93 57.85 1x4b s PHE 76 Cb -0.24 -3.32 -0.31 0.00 -0.57 0.00 0.00 43.02 38.58 1x4b s PHE 76 CO 0.05 -3.01 0.71 1.03 -0.10 0.00 0.00 175.22 173.90 1x4b h SER 77 N -1.97 0.66 -2.64 1.36 0.87 -1.71 -3.38 113.55 106.73 1x4b h SER 77 Ca -0.53 -0.94 -0.53 0.00 -1.23 0.00 0.00 61.79 58.56 1x4b h SER 77 Cb 1.33 -0.21 -0.14 0.00 -0.44 0.00 0.00 62.40 62.94 1x4b h SER 77 CO 0.55 1.78 -0.68 -0.55 -0.53 0.00 0.00 176.83 177.40 1x4b s SER 78 N -7.34 3.05 0.19 6.23 0.15 -1.26 -5.03 113.70 109.69 1x4b s SER 78 Ca -0.15 -1.18 0.26 0.00 0.70 0.00 0.00 55.95 55.58 1x4b s SER 78 Cb 0.05 -0.22 0.82 0.00 -1.71 0.00 0.00 66.02 64.96 1x4b s SER 78 CO 0.87 -0.28 1.77 0.80 1.20 0.00 0.00 173.24 177.59 1x4b n MET 79 N -0.63 0.24 0.05 5.44 1.56 -1.26 -3.37 117.12 119.14 1x4b n MET 79 Ca -0.05 0.19 -0.06 0.00 -0.27 0.00 0.00 57.70 57.51 1x4b n MET 79 Cb 0.63 -1.77 -0.04 0.00 2.15 0.00 0.00 33.22 34.19 1x4b n MET 79 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1x4b h ALA 80 N 2.57 -0.23 -0.26 -5.12 0.00 -1.98 -2.57 119.26 111.67 1x4b h ALA 80 Ca 0.00 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.84 1x4b h ALA 80 Cb 0.72 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.52 1x4b h ALA 80 CO 0.00 -0.23 -0.46 0.93 0.00 0.00 0.00 179.25 179.49 1x4b h GLU 81 N -1.02 -0.43 -0.71 0.00 3.07 -1.80 0.12 114.58 113.80 1x4b h GLU 81 Ca -0.02 0.03 0.15 0.00 -0.50 0.00 0.00 59.36 59.01 1x4b h GLU 81 Cb 0.32 0.10 -0.10 0.00 -0.84 0.00 0.00 28.75 28.22 1x4b h GLU 81 CO 0.04 -0.28 0.19 -0.24 -1.40 0.00 0.00 179.01 177.31 1x4b h VAL 82 N -0.44 0.56 -0.93 3.13 3.04 -1.69 0.62 116.25 120.53 1x4b h VAL 82 Ca 0.09 -0.10 0.11 0.00 -1.01 0.00 0.00 66.70 65.79 1x4b h VAL 82 Cb 0.62 0.24 -0.07 0.00 -2.01 0.00 0.00 31.29 30.07 1x4b h VAL 82 CO -0.49 0.05 0.60 -0.78 -1.01 0.00 0.00 177.57 175.94 1x4b h ASP 83 N 0.29 0.83 -0.54 3.17 1.82 -0.46 0.13 116.42 121.65 1x4b h ASP 83 Ca 0.40 0.03 -0.12 0.00 -0.39 0.00 0.00 57.03 56.95 1x4b h ASP 83 Cb 0.65 -0.14 -0.02 0.00 0.68 0.00 0.00 39.33 40.51 1x4b h ASP 83 CO -0.48 0.47 -0.11 0.00 -1.61 0.00 0.00 179.24 177.51 1x4b h ALA 84 N 1.55 0.74 -0.40 -0.78 0.00 0.25 -2.43 119.26 118.19 1x4b h ALA 84 Ca 0.44 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1x4b h ALA 84 Cb 0.46 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1x4b h ALA 84 CO -0.20 0.67 0.14 0.00 0.00 0.00 0.00 179.25 179.85 1x4b h ALA 85 N 0.92 1.49 -0.69 0.00 0.00 0.14 -2.11 119.26 119.03 1x4b h ALA 85 Ca 0.14 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1x4b h ALA 85 Cb 0.69 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1x4b h ALA 85 CO 0.05 0.39 0.30 0.52 0.00 0.00 0.00 179.25 180.51 1x4b h MET 86 N 0.57 1.01 -1.98 0.00 2.07 -0.42 -2.78 114.93 113.40 1x4b h MET 86 Ca 0.14 -0.17 -0.73 0.00 -2.07 0.00 0.00 59.70 56.87 1x4b h MET 86 Cb 0.15 -0.17 -0.26 0.00 -1.87 0.00 0.00 31.60 29.45 1x4b h MET 86 CO -0.01 0.82 0.98 0.00 1.07 0.00 0.00 176.91 179.77 1x4b n ALA 87 N -2.38 6.51 -2.78 6.32 0.00 -0.81 -4.45 120.51 122.92 1x4b n ALA 87 Ca 0.05 -3.96 -0.11 0.00 0.00 0.00 0.00 53.44 49.42 1x4b n ALA 87 Cb 0.15 -2.01 0.02 0.00 0.00 0.00 0.00 19.45 17.62 1x4b n ALA 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x4b n ALA 88 N -0.36 2.91 -2.72 0.00 0.00 -1.05 -4.97 120.51 114.32 1x4b n ALA 88 Ca 0.53 -3.04 -0.24 0.00 0.00 0.00 0.00 53.44 50.70 1x4b n ALA 88 Cb 0.28 -0.95 -0.06 0.00 0.00 0.00 0.00 19.45 18.72 1x4b n ALA 88 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1x4b s ARG 89 N -2.71 2.57 0.26 0.00 0.52 -1.26 -4.40 118.95 113.93 1x4b s ARG 89 Ca 0.29 -1.19 -0.04 0.00 -0.52 0.00 0.00 55.73 54.27 1x4b s ARG 89 Cb 0.43 -2.37 0.06 0.00 0.52 0.00 0.00 34.95 33.59 1x4b s ARG 89 CO 0.01 0.41 0.29 -0.35 0.02 0.00 0.00 175.30 175.67 1x4b n PRO 90 N -0.77 -0.90 -4.35 3.54 -0.04 -1.26 -5.15 135.00 126.08 1x4b n PRO 90 Ca -0.08 -0.45 -0.28 0.00 -0.04 0.00 0.00 63.50 62.65 1x4b n PRO 90 Cb 0.57 -0.35 -0.17 0.00 -0.04 0.00 0.00 33.50 33.51 1x4b n PRO 90 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1x4b s HIS 91 N -1.58 1.91 -0.21 0.54 3.76 -1.26 -5.07 115.29 113.38 1x4b s HIS 91 Ca 0.17 -0.92 0.00 0.00 -0.15 0.00 0.00 55.06 54.17 1x4b s HIS 91 Cb -0.01 -1.40 0.03 0.00 1.11 0.00 0.00 32.58 32.30 1x4b s HIS 91 CO 0.13 -0.49 -0.14 -1.54 -0.85 0.00 0.00 174.74 171.84 1x4b s SER 92 N 1.11 3.73 0.02 1.40 1.04 -1.26 -0.01 113.70 119.73 1x4b s SER 92 Ca -0.04 -0.80 0.01 0.00 0.48 0.00 0.00 55.95 55.60 1x4b s SER 92 Cb -0.14 -1.56 -0.01 0.00 0.10 0.00 0.00 66.02 64.41 1x4b s SER 92 CO -0.03 -0.06 -0.05 -0.63 0.98 0.00 0.00 173.24 173.44 1x4b s ILE 93 N 1.28 0.38 -0.64 -1.02 1.01 0.13 -4.74 121.20 117.61 1x4b s ILE 93 Ca 0.02 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 60.05 1x4b s ILE 93 Cb -0.15 -0.40 0.00 0.00 0.01 0.00 0.00 42.46 41.92 1x4b s ILE 93 CO -0.09 -0.16 0.00 -0.67 0.00 0.00 0.00 174.94 174.02 1x4b n ASP 94 N 2.22 -5.38 0.00 3.58 2.03 -1.26 -0.38 116.55 117.37 1x4b n ASP 94 Ca -0.18 0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.28 1x4b n ASP 94 Cb 0.57 -3.41 0.00 0.00 -0.72 0.00 0.00 41.12 37.56 1x4b n ASP 94 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x4b n GLY 95 N -0.05 0.47 3.39 0.27 0.00 -1.26 -5.04 105.19 102.97 1x4b n GLY 95 Ca -0.06 -0.74 -0.20 0.00 0.00 0.00 0.00 46.02 45.02 1x4b n GLY 95 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1x4b s ARG 96 N -1.36 1.45 -0.41 1.61 1.04 0.49 -5.11 118.95 116.66 1x4b s ARG 96 Ca 0.00 -1.67 -0.21 0.00 -1.04 0.00 0.00 55.73 52.81 1x4b s ARG 96 Cb 0.00 -1.24 0.02 0.00 -2.04 0.00 0.00 34.95 31.69 1x4b s ARG 96 CO 0.00 0.17 0.64 0.08 -0.04 0.00 0.00 175.30 176.15 1x4b s VAL 97 N -2.91 4.85 0.17 4.99 1.01 -1.26 -0.69 120.40 126.56 1x4b s VAL 97 Ca 0.26 0.30 0.03 0.00 0.00 0.00 0.00 61.98 62.56 1x4b s VAL 97 Cb -0.00 -4.16 0.03 0.00 0.00 0.00 0.00 36.38 32.25 1x4b s VAL 97 CO 0.10 -0.49 0.24 1.33 0.00 0.00 0.00 175.10 176.27 1x4b n VAL 98 N 5.76 0.00 -3.19 2.92 0.24 0.99 -4.97 118.33 120.08 1x4b n VAL 98 Ca -0.01 -0.55 0.02 0.00 -2.04 0.00 0.00 64.34 61.75 1x4b n VAL 98 Cb 0.48 -0.90 -0.02 0.00 -1.47 0.00 0.00 33.84 31.93 1x4b n VAL 98 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1x4b s GLU 99 N -2.81 0.53 0.73 7.34 -1.05 -0.02 -4.24 118.70 119.17 1x4b s GLU 99 Ca 0.18 0.89 -0.11 0.00 -0.15 0.00 0.00 54.97 55.78 1x4b s GLU 99 Cb -0.01 0.36 0.03 0.00 -0.44 0.00 0.00 34.13 34.06 1x4b s GLU 99 CO 0.11 -0.65 1.07 -1.25 0.95 0.00 0.00 175.26 175.49 1x4b s PRO 100 N 2.80 2.67 0.04 -4.83 0.04 -1.26 -1.17 135.00 133.29 1x4b s PRO 100 Ca 0.19 0.85 -0.03 0.00 0.04 0.00 0.00 61.00 62.05 1x4b s PRO 100 Cb -0.15 -1.97 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 1x4b s PRO 100 CO -0.21 -1.26 0.03 0.15 0.04 0.00 0.00 177.00 175.76 1x4b s LYS 101 N -5.08 0.55 0.46 4.56 1.02 0.22 -4.84 119.74 116.63 1x4b s LYS 101 Ca 0.59 -0.89 0.15 0.00 0.02 0.00 0.00 55.97 55.84 1x4b s LYS 101 Cb -0.14 0.20 1.05 0.00 -0.52 0.00 0.00 37.83 38.43 1x4b s LYS 101 CO 0.55 -0.12 2.03 0.00 -0.92 0.00 0.00 175.35 176.88 1x4b h ARG 102 N 3.66 0.01 0.00 1.68 -0.00 -1.88 0.37 114.38 118.22 1x4b h ARG 102 Ca -0.33 -0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.15 1x4b h ARG 102 Cb 1.18 -0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.14 1x4b h ARG 102 CO 0.54 0.15 0.00 0.00 0.00 0.00 0.00 179.97 180.66 1x4b n ALA 103 N -2.51 0.00 -1.39 0.04 0.00 -1.26 -4.06 120.51 111.33 1x4b n ALA 103 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.98 1x4b n ALA 103 Cb 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.65 1x4b n ALA 103 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1x4b n VAL 104 N 0.00 1.40 -3.13 0.00 0.24 -1.26 -3.42 118.33 112.16 1x4b n VAL 104 Ca 0.00 -0.50 -0.00 0.00 -2.04 0.00 0.00 64.34 61.80 1x4b n VAL 104 Cb 0.00 -0.26 -0.00 0.00 -1.47 0.00 0.00 33.84 32.11 1x4b n VAL 104 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1x4b n ALA 105 N -0.70 -2.12 -2.47 2.33 0.00 -1.26 -4.98 120.51 111.30 1x4b n ALA 105 Ca 0.13 0.07 -0.26 0.00 0.00 0.00 0.00 53.44 53.37 1x4b n ALA 105 Cb 0.37 -0.57 -0.13 0.00 0.00 0.00 0.00 19.45 19.11 1x4b n ALA 105 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1x4b s ARG 106 N -1.02 1.26 -0.20 0.00 3.00 -1.22 -5.07 118.95 115.69 1x4b s ARG 106 Ca -0.00 -1.25 -0.39 0.00 -1.00 0.00 0.00 55.73 53.09 1x4b s ARG 106 Cb 0.00 -1.63 -0.16 0.00 0.00 0.00 0.00 34.95 33.16 1x4b s ARG 106 CO 0.09 0.38 1.65 -1.91 0.00 0.00 0.00 175.30 175.51 1x4b n GLU 107 N 1.01 1.14 -3.54 5.12 0.00 -1.26 -4.92 120.64 118.19 1x4b n GLU 107 Ca -0.19 0.42 -0.29 0.00 0.00 0.00 0.00 57.16 57.10 1x4b n GLU 107 Cb 0.53 -2.09 -0.13 0.00 0.00 0.00 0.00 31.44 29.76 1x4b n GLU 107 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 1x4b s GLU 108 N 2.86 0.68 0.45 5.31 2.12 -1.26 -5.12 118.70 123.74 1x4b s GLU 108 Ca 0.95 -1.38 -0.23 0.00 0.36 0.00 0.00 54.97 54.68 1x4b s GLU 108 Cb -1.05 -1.54 -0.10 0.00 0.26 0.00 0.00 34.13 31.70 1x4b s GLU 108 CO 0.62 -1.17 0.84 0.45 -0.54 0.00 0.00 175.26 175.45 1x4b n SER 109 N 4.10 0.42 -0.13 -1.70 2.88 -1.26 -4.98 113.62 112.95 1x4b n SER 109 Ca 0.09 0.95 0.00 0.00 -1.33 0.00 0.00 58.87 58.58 1x4b n SER 109 Cb 0.37 -1.27 0.00 0.00 -0.75 0.00 0.00 64.21 62.56 1x4b n SER 109 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4b n GLY 110 N 1.41 3.88 3.61 0.46 0.00 -1.26 -5.19 105.19 108.11 1x4b n GLY 110 Ca 0.11 -1.10 -0.06 0.00 0.00 0.00 0.00 46.02 44.97 1x4b n GLY 110 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x4b s SER 111 N 1.21 -0.20 0.05 1.61 1.04 -1.26 -5.13 113.70 111.02 1x4b s SER 111 Ca 0.00 0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.63 1x4b s SER 111 Cb 0.00 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.29 1x4b s SER 111 CO 0.00 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.63 1x4b n GLY 112 N 0.55 -4.21 3.73 7.32 0.00 -1.26 -4.94 105.19 106.37 1x4b n GLY 112 Ca -0.05 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 1x4b n GLY 112 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4b s PRO 113 N -1.75 4.51 -0.27 1.61 0.04 -1.26 -5.02 135.00 132.87 1x4b s PRO 113 Ca 0.00 1.73 0.03 0.00 0.04 0.00 0.00 61.00 62.80 1x4b s PRO 113 Cb 0.00 -3.32 0.06 0.00 0.04 0.00 0.00 34.50 31.29 1x4b s PRO 113 CO 0.00 -0.09 -0.09 -1.12 0.04 0.00 0.00 177.00 175.73 1x4b s SER 114 N 0.50 4.48 0.00 6.66 0.01 -1.26 -5.06 113.70 119.03 1x4b s SER 114 Ca 0.54 -1.47 0.00 0.00 1.31 0.00 0.00 55.95 56.33 1x4b s SER 114 Cb -0.29 -1.56 0.00 0.00 0.21 0.00 0.00 66.02 64.38 1x4b s SER 114 CO 0.32 -0.21 0.00 -0.24 0.41 0.00 0.00 173.24 173.52 1x4b n SER 115 N 4.42 0.00 0.00 2.44 2.88 -1.26 -5.02 113.62 117.07 1x4b n SER 115 Ca -0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.42 1x4b n SER 115 Cb 0.42 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 1x4b n SER 115 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42