#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4b n SER 2 N 0.00 -6.71 -3.60 1.61 7.64 -1.26 -5.10 113.62 106.19 1x4b n SER 2 Ca 0.00 0.92 -0.04 0.00 1.01 0.00 0.00 58.87 60.76 1x4b n SER 2 Cb 0.00 -3.66 -0.02 0.00 -1.01 0.00 0.00 64.21 59.52 1x4b n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x4b s SER 3 N -0.49 -0.19 0.00 6.43 0.15 -1.26 -5.13 113.70 113.21 1x4b s SER 3 Ca 0.00 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.55 1x4b s SER 3 Cb 0.00 0.28 0.00 0.00 -1.71 0.00 0.00 66.02 64.59 1x4b s SER 3 CO 0.00 -0.48 0.00 0.61 1.20 0.00 0.00 173.24 174.57 1x4b n GLY 4 N -0.29 -1.90 1.49 9.45 0.00 -1.26 -5.17 105.19 107.50 1x4b n GLY 4 Ca -0.05 0.80 0.16 0.00 0.00 0.00 0.00 46.02 46.93 1x4b n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x4b n SER 5 N 0.00 -8.05 -3.57 1.61 3.41 -1.26 -5.08 113.62 100.68 1x4b n SER 5 Ca 0.00 1.55 0.03 0.00 -0.26 0.00 0.00 58.87 60.19 1x4b n SER 5 Cb 0.00 -5.09 -0.00 0.00 -0.26 0.00 0.00 64.21 58.86 1x4b n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1x4b s SER 6 N -7.13 -0.01 0.00 4.04 0.15 -1.26 -5.19 113.70 104.30 1x4b s SER 6 Ca 0.00 -0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.62 1x4b s SER 6 Cb 0.00 0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.35 1x4b s SER 6 CO 0.00 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 174.97 1x4b n GLY 7 N -0.50 4.16 3.55 9.45 0.00 -1.26 -5.19 105.19 115.41 1x4b n GLY 7 Ca -0.10 -0.55 -0.13 0.00 0.00 0.00 0.00 46.02 45.24 1x4b n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1x4b s MET 8 N -2.36 0.78 -0.30 1.61 1.00 -1.26 -5.17 119.30 113.61 1x4b s MET 8 Ca 0.00 0.16 -0.18 0.00 0.00 0.00 0.00 55.69 55.67 1x4b s MET 8 Cb 0.00 0.37 0.20 0.00 0.00 0.00 0.00 34.83 35.40 1x4b s MET 8 CO 0.00 -0.25 1.25 -1.83 0.00 0.00 0.00 175.02 174.19 1x4b s GLU 9 N -1.27 0.10 0.23 2.03 -1.05 -1.26 -5.19 118.70 112.30 1x4b s GLU 9 Ca -0.05 0.16 -0.21 0.00 -0.15 0.00 0.00 54.97 54.73 1x4b s GLU 9 Cb -0.00 0.03 0.07 0.00 -0.44 0.00 0.00 34.13 33.78 1x4b s GLU 9 CO 0.04 -0.02 0.98 -1.59 0.95 0.00 0.00 175.26 175.62 1x4b s LYS 10 N 0.89 1.51 -0.02 -4.83 0.00 -1.26 -5.11 119.74 110.92 1x4b s LYS 10 Ca -0.05 -0.96 -0.02 0.00 0.00 0.00 0.00 55.97 54.93 1x4b s LYS 10 Cb -0.03 0.43 0.01 0.00 0.00 0.00 0.00 37.83 38.23 1x4b s LYS 10 CO -0.11 -0.70 0.04 2.41 0.00 0.00 0.00 175.35 176.99 1x4b n THR 11 N -0.65-10.57 0.00 3.79 -1.04 -1.26 -5.06 114.28 99.49 1x4b n THR 11 Ca -0.04 2.44 0.00 0.00 -2.04 0.00 0.00 64.05 64.41 1x4b n THR 11 Cb 0.60 -5.25 0.00 0.00 -1.82 0.00 0.00 70.33 63.85 1x4b n THR 11 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1x4b n LEU 12 N 1.90 0.00 -3.77 -4.42 0.00 -1.26 -5.18 117.00 104.26 1x4b n LEU 12 Ca -0.07 0.00 -0.04 0.00 0.00 0.00 0.00 56.01 55.90 1x4b n LEU 12 Cb 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 43.42 43.52 1x4b n LEU 12 CO 0.07 0.00 0.71 -0.70 0.00 0.00 0.00 177.39 177.47 1x4b s GLU 13 N 0.00 1.25 -0.06 1.96 2.56 -1.26 -5.19 118.70 117.96 1x4b s GLU 13 Ca 0.00 -0.70 -0.29 0.00 0.00 0.00 0.00 54.97 53.97 1x4b s GLU 13 Cb 0.00 0.42 0.11 0.00 2.00 0.00 0.00 34.13 36.65 1x4b s GLU 13 CO 0.00 -0.57 0.88 -0.08 -0.56 0.00 0.00 175.26 174.93 1x4b s THR 14 N -3.21 0.00 0.00 -1.70 -1.32 -1.26 -5.17 115.64 102.98 1x4b s THR 14 Ca 0.13 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.61 1x4b s THR 14 Cb -0.02 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.97 1x4b s THR 14 CO 0.03 0.00 0.00 0.55 -2.21 0.00 0.00 174.62 172.99 1x4b n VAL 15 N 0.29 0.00 -1.56 5.08 3.14 -1.26 -5.17 118.33 118.85 1x4b n VAL 15 Ca -0.11 0.00 -0.31 0.00 -2.96 0.00 0.00 64.34 60.96 1x4b n VAL 15 Cb 0.60 0.00 0.07 0.00 -1.06 0.00 0.00 33.84 33.45 1x4b n VAL 15 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1x4b s PRO 16 N -0.32 2.57 0.43 1.45 0.04 -1.26 -5.08 135.00 132.83 1x4b s PRO 16 Ca 0.00 0.82 0.07 0.00 0.04 0.00 0.00 61.00 61.92 1x4b s PRO 16 Cb 0.00 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 1x4b s PRO 16 CO 0.00 -1.32 0.21 -0.51 0.04 0.00 0.00 177.00 175.42 1x4b s LEU 17 N -5.65 3.05 0.28 -3.56 1.43 -1.26 -5.15 118.68 107.83 1x4b s LEU 17 Ca 0.59 -1.11 0.06 0.00 -1.03 0.00 0.00 54.13 52.65 1x4b s LEU 17 Cb -0.14 -1.42 -0.06 0.00 0.03 0.00 0.00 46.19 44.60 1x4b s LEU 17 CO 0.55 -0.63 -0.04 -1.61 0.23 0.00 0.00 176.35 174.84 1x4b s GLU 18 N -3.96 1.56 0.62 1.70 0.41 -1.26 -5.11 118.70 112.66 1x4b s GLU 18 Ca 0.39 -1.80 0.00 0.00 -0.41 0.00 0.00 54.97 53.15 1x4b s GLU 18 Cb 0.03 -1.10 0.07 0.00 -1.78 0.00 0.00 34.13 31.34 1x4b s GLU 18 CO 0.22 0.00 0.87 -0.98 -0.49 0.00 0.00 175.26 174.88 1x4b s ARG 19 N -3.75 2.18 0.18 1.61 1.04 -1.26 -4.46 118.95 114.49 1x4b s ARG 19 Ca 0.30 -0.91 -0.09 0.00 -1.04 0.00 0.00 55.73 53.99 1x4b s ARG 19 Cb 0.05 -2.42 0.03 0.00 -2.04 0.00 0.00 34.95 30.57 1x4b s ARG 19 CO 0.12 -1.03 0.47 1.63 -0.04 0.00 0.00 175.30 176.45 1x4b n LYS 20 N -2.56 0.55 -1.46 3.89 4.76 -1.26 -5.02 118.16 117.06 1x4b n LYS 20 Ca 0.11 -1.10 -0.37 0.00 -2.87 0.00 0.00 58.31 54.08 1x4b n LYS 20 Cb 0.60 1.40 0.06 0.00 -1.84 0.00 0.00 35.03 35.25 1x4b n LYS 20 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1x4b n LYS 21 N -0.32 0.60 -3.24 1.97 5.02 -1.26 -3.81 118.16 117.12 1x4b n LYS 21 Ca -0.04 0.25 -0.13 0.00 -2.02 0.00 0.00 58.31 56.37 1x4b n LYS 21 Cb 0.32 -2.02 0.01 0.00 -0.02 0.00 0.00 35.03 33.32 1x4b n LYS 21 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1x4b n ARG 22 N -0.98 -1.18 0.08 1.97 1.74 -1.26 -4.76 116.66 112.27 1x4b n ARG 22 Ca 0.13 1.22 -0.14 0.00 -0.77 0.00 0.00 57.85 58.29 1x4b n ARG 22 Cb 0.48 -1.93 -0.06 0.00 -1.02 0.00 0.00 32.46 29.94 1x4b n ARG 22 CO 0.00 0.00 0.00 1.05 -1.52 0.00 0.00 177.63 177.16 1x4b h GLU 23 N 2.99 0.36 0.00 5.56 4.11 -2.00 -2.95 114.58 122.64 1x4b h GLU 23 Ca -0.18 -0.43 -0.04 0.00 0.07 0.00 0.00 59.36 58.78 1x4b h GLU 23 Cb 1.04 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1x4b h GLU 23 CO 0.09 1.12 -0.19 -0.22 0.07 0.00 0.00 179.01 179.88 1x4b h LYS 24 N 0.18 0.00 0.15 1.06 3.11 -1.93 0.16 116.57 119.30 1x4b h LYS 24 Ca -0.09 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.74 1x4b h LYS 24 Cb 1.66 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.89 1x4b h LYS 24 CO 0.17 0.19 -0.07 1.49 -2.81 0.00 0.00 179.45 178.41 1x4b h GLU 25 N 0.00 -0.19 -0.85 1.90 4.57 -1.88 -3.04 114.58 115.09 1x4b h GLU 25 Ca -0.00 0.01 0.17 0.00 -1.18 0.00 0.00 59.36 58.36 1x4b h GLU 25 Cb 0.34 0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 28.91 1x4b h GLU 25 CO 0.02 -0.13 0.56 -0.56 -1.18 0.00 0.00 179.01 177.73 1x4b h GLN 26 N -0.37 0.46 -0.32 1.92 3.07 -1.50 -1.15 115.11 117.22 1x4b h GLN 26 Ca -0.02 -0.03 0.07 0.00 0.09 0.00 0.00 58.65 58.76 1x4b h GLN 26 Cb 0.15 -0.10 -0.08 0.00 0.08 0.00 0.00 27.48 27.53 1x4b h GLN 26 CO 0.03 0.30 -0.19 0.74 0.09 0.00 0.00 178.83 179.80 1x4b h PHE 27 N 0.47 -0.49 -1.89 0.06 -1.00 -0.74 -2.26 116.94 111.09 1x4b h PHE 27 Ca 0.43 0.04 -0.71 0.00 2.81 0.00 0.00 57.97 60.54 1x4b h PHE 27 Cb 0.97 0.27 -0.33 0.00 3.61 0.00 0.00 35.95 40.47 1x4b h PHE 27 CO -0.00 -0.27 0.41 0.54 -1.61 0.00 0.00 178.31 177.38 1x4b n ARG 28 N -5.36 3.23 -3.68 1.51 1.74 -0.47 -4.91 116.66 108.72 1x4b n ARG 28 Ca 0.01 -4.01 -0.22 0.00 -0.77 0.00 0.00 57.85 52.86 1x4b n ARG 28 Cb 0.27 -2.28 -0.18 0.00 -1.02 0.00 0.00 32.46 29.26 1x4b n ARG 28 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1x4b s LYS 29 N -3.90 0.13 0.30 5.56 2.20 -0.85 -3.25 119.74 119.93 1x4b s LYS 29 Ca 0.49 0.17 0.09 0.00 -0.36 0.00 0.00 55.97 56.37 1x4b s LYS 29 Cb 0.40 -1.00 -0.04 0.00 -1.51 0.00 0.00 37.83 35.68 1x4b s LYS 29 CO -0.31 -0.42 0.07 -0.51 -0.36 0.00 0.00 175.35 173.82 1x4b s LEU 30 N 2.11 3.24 -0.34 5.43 1.02 -0.90 -2.01 118.68 127.23 1x4b s LEU 30 Ca 0.04 -0.71 0.02 0.00 0.02 0.00 0.00 54.13 53.50 1x4b s LEU 30 Cb -0.13 -1.73 0.09 0.00 0.02 0.00 0.00 46.19 44.44 1x4b s LEU 30 CO -0.05 -0.15 0.06 0.12 0.02 0.00 0.00 176.35 176.35 1x4b s PHE 31 N -2.37 3.64 0.08 0.29 2.19 0.17 -1.70 117.98 120.28 1x4b s PHE 31 Ca 0.35 -2.73 -0.30 0.00 0.33 0.00 0.00 56.93 54.57 1x4b s PHE 31 Cb -0.04 -2.82 -0.06 0.00 -1.31 0.00 0.00 43.02 38.79 1x4b s PHE 31 CO 0.21 -0.94 1.13 0.42 1.83 0.00 0.00 175.22 177.88 1x4b s ILE 32 N 1.00 4.14 -0.16 3.12 -1.09 0.12 0.14 121.20 128.47 1x4b s ILE 32 Ca 0.07 1.62 -0.03 0.00 -2.23 0.00 0.00 60.65 60.08 1x4b s ILE 32 Cb -0.20 -4.03 0.05 0.00 -1.58 0.00 0.00 42.46 36.70 1x4b s ILE 32 CO -0.06 0.17 0.03 -0.83 -1.23 0.00 0.00 174.94 173.02 1x4b s GLY 33 N 0.70 0.61 0.00 6.18 0.00 -0.05 -1.58 107.32 113.18 1x4b s GLY 33 Ca 0.55 -0.50 0.00 0.00 0.00 0.00 0.00 44.72 44.77 1x4b s GLY 33 CO 0.31 1.36 0.00 0.61 0.00 0.00 0.00 173.10 175.38 1x4b n GLY 34 N 5.10 0.75 0.19 0.20 0.00 -0.95 0.33 105.19 110.82 1x4b n GLY 34 Ca -0.08 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 0.57 0.00 0.99 4.32 0.12 -4.07 117.00 118.94 1x4b n LEU 35 Ca 0.00 -0.26 0.00 0.00 -0.02 0.00 0.00 56.01 55.73 1x4b n LEU 35 Cb 0.00 -0.06 0.00 0.00 -1.62 0.00 0.00 43.42 41.74 1x4b n LEU 35 CO 0.00 0.13 0.00 -0.24 -1.22 0.00 0.00 177.39 176.06 1x4b n SER 36 N -0.29 0.00 0.00 -1.43 2.88 -1.26 -2.75 113.62 110.76 1x4b n SER 36 Ca 0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 1x4b n SER 36 Cb 0.12 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 1x4b n SER 36 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1x4b n PHE 37 N 0.00 0.00 -0.09 0.66 3.72 -1.26 -4.70 117.46 115.79 1x4b n PHE 37 Ca 0.00 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.25 1x4b n PHE 37 Cb 0.00 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.45 1x4b n PHE 37 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1x4b h GLU 38 N 0.00 0.00 -4.48 -1.08 4.81 -1.86 -3.41 114.58 108.56 1x4b h GLU 38 Ca 0.00 0.00 -0.44 0.00 -0.13 0.00 0.00 59.36 58.79 1x4b h GLU 38 Cb 0.00 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.30 1x4b h GLU 38 CO 0.00 0.69 1.60 2.41 -0.73 0.00 0.00 179.01 182.98 1x4b n THR 39 N -4.54 0.00 -0.43 0.32 -1.04 -1.11 -4.86 114.28 102.63 1x4b n THR 39 Ca -0.20 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 61.78 1x4b n THR 39 Cb 0.49 -0.41 0.00 0.00 -1.82 0.00 0.00 70.33 68.59 1x4b n THR 39 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1x4b n THR 40 N 6.56 0.00 0.03 12.58 -2.24 -1.26 -4.77 114.28 125.18 1x4b n THR 40 Ca 0.59 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 62.24 1x4b n THR 40 Cb 0.04 -1.56 -0.09 0.00 -2.10 0.00 0.00 70.33 66.61 1x4b n THR 40 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1x4b h GLU 41 N 0.00 -0.08 0.53 -0.78 5.08 -1.91 -2.42 114.58 115.00 1x4b h GLU 41 Ca 0.00 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1x4b h GLU 41 Cb 0.00 0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.27 1x4b h GLU 41 CO 0.00 0.30 -0.26 1.49 -1.00 0.00 0.00 179.01 179.54 1x4b h GLU 42 N -0.48 -0.69 -0.93 2.33 4.81 -1.94 0.23 114.58 117.91 1x4b h GLU 42 Ca -0.01 0.05 0.34 0.00 -0.13 0.00 0.00 59.36 59.60 1x4b h GLU 42 Cb 0.42 0.16 -0.17 0.00 0.63 0.00 0.00 28.75 29.78 1x4b h GLU 42 CO 0.01 -0.46 0.31 0.43 -0.73 0.00 0.00 179.01 178.57 1x4b n SER 43 N -4.24 0.15 0.07 1.04 7.64 -1.25 0.17 113.62 117.20 1x4b n SER 43 Ca -0.09 1.56 -0.12 0.00 1.01 0.00 0.00 58.87 61.23 1x4b n SER 43 Cb 0.28 -0.68 -0.08 0.00 -1.01 0.00 0.00 64.21 62.72 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 -0.19 -0.22 -3.43 5.85 -1.27 -3.22 115.31 112.83 1x4b h LEU 44 Ca 0.70 -0.33 0.05 0.00 0.84 0.00 0.00 57.88 59.14 1x4b h LEU 44 Cb 1.72 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 42.74 1x4b h LEU 44 CO -0.78 0.29 -0.13 0.03 -0.34 0.00 0.00 178.44 177.51 1x4b h ARG 45 N -0.73 -0.11 -1.39 1.25 3.08 0.41 0.37 114.38 117.26 1x4b h ARG 45 Ca -0.02 0.01 0.40 0.00 0.07 0.00 0.00 59.98 60.44 1x4b h ARG 45 Cb 0.51 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.53 1x4b h ARG 45 CO 0.04 -0.07 1.16 -0.97 -1.07 0.00 0.00 179.97 179.06 1x4b h ASN 46 N -0.12 0.00 0.04 7.04 -1.24 0.17 1.83 115.58 123.31 1x4b h ASN 46 Ca 0.12 0.00 -0.36 0.00 0.71 0.00 0.00 56.30 56.77 1x4b h ASN 46 Cb 0.30 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.30 1x4b h ASN 46 CO -0.29 0.00 -2.06 0.00 -1.29 0.00 0.00 177.43 173.79 1x4b n TYR 47 N -3.74 0.66 0.29 0.67 9.36 0.58 -4.20 117.16 120.78 1x4b n TYR 47 Ca 0.31 0.19 0.01 0.00 3.32 0.00 0.00 57.90 61.73 1x4b n TYR 47 Cb 1.59 -1.08 0.14 0.00 -0.63 0.00 0.00 39.34 39.36 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 -3.78 0.82 -0.13 2.98 4.02 0.19 -3.75 117.16 117.51 1x4b n TYR 48 Ca -0.40 -0.37 -0.22 0.00 -0.01 0.00 0.00 57.90 56.90 1x4b n TYR 48 Cb 0.92 -0.29 -0.11 0.00 -0.02 0.00 0.00 39.34 39.84 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 0.18 0.63 -0.25 -0.72 1.02 0.57 -3.83 120.64 118.24 1x4b n GLU 49 Ca 0.12 0.20 0.06 0.00 -0.02 0.00 0.00 57.16 57.51 1x4b n GLU 49 Cb 0.65 -1.52 0.18 0.00 -0.02 0.00 0.00 31.44 30.74 1x4b n GLU 49 CO 0.00 0.00 0.00 -0.56 1.18 0.00 0.00 177.13 177.75 1x4b h GLN 50 N -0.37 0.29 -0.31 3.49 3.07 -1.77 0.17 115.11 119.68 1x4b h GLN 50 Ca -0.62 -0.02 -0.04 0.00 0.09 0.00 0.00 58.65 58.07 1x4b h GLN 50 Cb 1.80 -0.06 -0.01 0.00 0.08 0.00 0.00 27.48 29.28 1x4b h GLN 50 CO -0.21 0.19 0.05 -1.49 0.09 0.00 0.00 178.83 177.46 1x4b h TRP 51 N 0.29 0.55 -1.39 0.06 6.55 -1.78 -3.47 115.95 116.77 1x4b h TRP 51 Ca 0.42 -0.07 0.19 0.00 0.95 0.00 0.00 58.89 60.37 1x4b h TRP 51 Cb 0.70 -0.15 -0.23 0.00 -0.86 0.00 0.00 29.16 28.62 1x4b h TRP 51 CO -0.24 0.59 0.77 0.20 -1.05 0.00 0.00 178.44 178.70 1x4b s GLY 52 N -3.07 -0.16 -0.19 1.49 0.00 0.61 -4.57 107.32 101.43 1x4b s GLY 52 Ca -0.13 2.15 -0.29 0.00 0.00 0.00 0.00 44.72 46.44 1x4b s GLY 52 CO 0.75 0.88 1.16 0.54 0.00 0.00 0.00 173.10 176.44 1x4b s LYS 53 N -1.54 4.25 -0.39 2.90 1.02 -1.23 -3.64 119.74 121.10 1x4b s LYS 53 Ca 0.06 1.53 -0.29 0.00 0.02 0.00 0.00 55.97 57.28 1x4b s LYS 53 Cb -0.01 -3.70 0.02 0.00 -0.52 0.00 0.00 37.83 33.62 1x4b s LYS 53 CO -0.04 -0.66 1.21 -0.51 -0.92 0.00 0.00 175.35 174.43 1x4b s LEU 54 N 3.30 3.74 0.58 3.17 1.43 -1.26 -2.06 118.68 127.58 1x4b s LEU 54 Ca 0.50 0.82 0.28 0.00 -1.03 0.00 0.00 54.13 54.70 1x4b s LEU 54 Cb -0.19 -3.54 1.51 0.00 0.03 0.00 0.00 46.19 44.00 1x4b s LEU 54 CO 0.11 -1.17 1.95 0.71 0.23 0.00 0.00 176.35 178.19 1x4b h THR 55 N 6.10 0.43 -1.95 5.49 1.35 0.19 -3.41 112.91 121.12 1x4b h THR 55 Ca -0.24 0.00 0.01 0.00 -0.55 0.00 0.00 66.41 65.63 1x4b h THR 55 Cb 1.08 0.68 -0.22 0.00 -1.73 0.00 0.00 68.15 67.96 1x4b h THR 55 CO 1.08 0.00 0.11 -1.81 -0.25 0.00 0.00 175.52 174.65 1x4b s ASP 56 N -5.47 -0.82 -0.11 5.36 1.11 -1.18 -5.03 116.67 110.53 1x4b s ASP 56 Ca -0.04 1.41 0.00 0.00 0.18 0.00 0.00 52.55 54.10 1x4b s ASP 56 Cb 0.16 1.38 0.02 0.00 1.07 0.00 0.00 42.92 45.55 1x4b s ASP 56 CO 0.58 -0.23 -0.10 0.00 1.18 0.00 0.00 175.17 176.60 1x4b s VAL 58 N 1.42 2.20 -0.20 0.00 1.01 -0.47 -4.92 120.40 119.43 1x4b s VAL 58 Ca 0.00 -1.03 0.01 0.00 0.00 0.00 0.00 61.98 60.96 1x4b s VAL 58 Cb -0.13 -1.79 0.05 0.00 0.00 0.00 0.00 36.38 34.50 1x4b s VAL 58 CO -0.06 0.57 -0.09 0.54 0.00 0.00 0.00 175.10 176.07 1x4b s VAL 59 N -0.38 1.60 0.52 2.92 0.11 -1.26 0.39 120.40 124.30 1x4b s VAL 59 Ca 0.03 -1.04 -0.22 0.00 -2.93 0.00 0.00 61.98 57.82 1x4b s VAL 59 Cb -0.12 -1.72 -0.06 0.00 -1.53 0.00 0.00 36.38 32.96 1x4b s VAL 59 CO 0.02 0.11 1.28 -0.04 -3.33 0.00 0.00 175.10 173.14 1x4b s MET 60 N 1.40 3.33 -0.04 1.54 -1.94 0.14 -4.85 119.30 118.88 1x4b s MET 60 Ca -0.02 2.05 0.03 0.00 -1.71 0.00 0.00 55.69 56.03 1x4b s MET 60 Cb -0.17 -2.28 0.01 0.00 2.01 0.00 0.00 34.83 34.40 1x4b s MET 60 CO -0.08 -0.98 -0.11 1.03 -0.01 0.00 0.00 175.02 174.87 1x4b s ARG 61 N -2.88 1.31 0.12 2.03 0.52 -1.26 0.17 118.95 118.96 1x4b s ARG 61 Ca 0.69 -0.38 -0.35 0.00 -0.52 0.00 0.00 55.73 55.18 1x4b s ARG 61 Cb -0.36 -1.16 -0.17 0.00 0.52 0.00 0.00 34.95 33.79 1x4b s ARG 61 CO 0.42 0.10 1.19 -0.25 0.02 0.00 0.00 175.30 176.79 1x4b n ASP 62 N 3.45 1.21 0.00 0.23 8.00 -1.26 -4.63 116.55 123.54 1x4b n ASP 62 Ca -0.20 1.13 0.11 0.00 0.71 0.00 0.00 54.79 56.54 1x4b n ASP 62 Cb 0.53 -1.16 0.49 0.00 -0.02 0.00 0.00 41.12 40.95 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 1.98 0.07 -0.08 -0.24 -0.04 -1.26 0.12 135.00 135.55 1x4b n PRO 63 Ca 0.17 0.11 -0.16 0.00 -0.04 0.00 0.00 63.50 63.59 1x4b n PRO 63 Cb 0.21 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.11 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 -1.46 1.94 0.06 0.55 0.00 -1.26 -4.71 120.51 115.63 1x4b n ALA 64 Ca 0.06 -0.62 -0.20 0.00 0.00 0.00 0.00 53.44 52.68 1x4b n ALA 64 Cb 0.24 0.28 -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 -0.47 0.53 -1.64 0.00 0.02 -1.94 -3.47 113.55 106.57 1x4b h SER 65 Ca -0.39 -0.93 -0.25 0.00 -0.84 0.00 0.00 61.79 59.38 1x4b h SER 65 Cb 1.37 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.72 1x4b h SER 65 CO -0.21 1.41 -0.31 0.29 -1.14 0.00 0.00 176.83 176.87 1x4b n LYS 66 N -4.08 -1.00 -2.88 3.45 5.02 0.33 -4.93 118.16 114.07 1x4b n LYS 66 Ca -0.14 0.66 -0.23 0.00 -2.02 0.00 0.00 58.31 56.58 1x4b n LYS 66 Cb 0.84 -4.84 -0.02 0.00 -0.02 0.00 0.00 35.03 30.98 1x4b n LYS 66 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1x4b n ARG 67 N -2.28 2.52 -1.57 1.97 1.74 -1.26 -4.84 116.66 112.95 1x4b n ARG 67 Ca -0.15 -4.27 0.00 0.00 -0.77 0.00 0.00 57.85 52.66 1x4b n ARG 67 Cb 0.59 -2.01 0.00 0.00 -1.02 0.00 0.00 32.46 30.02 1x4b n ARG 67 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1x4b n SER 68 N -0.15 -8.31 0.18 0.55 7.64 -1.26 -4.77 113.62 107.50 1x4b n SER 68 Ca 0.29 1.15 0.12 0.00 1.01 0.00 0.00 58.87 61.44 1x4b n SER 68 Cb 0.55 -4.19 0.24 0.00 -1.01 0.00 0.00 64.21 59.81 1x4b n SER 68 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1x4b h ARG 69 N 2.41 0.00 0.00 1.43 3.08 0.14 -3.35 114.38 118.10 1x4b h ARG 69 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1x4b h ARG 69 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1x4b h ARG 69 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1x4b n GLY 70 N 1.17 0.95 3.49 0.04 0.00 -1.25 -4.90 105.19 104.68 1x4b n GLY 70 Ca 0.04 -0.05 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.59 0.00 1.61 -0.12 -1.26 0.15 117.98 115.78 1x4b s PHE 71 Ca 0.00 0.77 0.00 0.00 -0.05 0.00 0.00 56.93 57.65 1x4b s PHE 71 Cb 0.00 0.47 0.00 0.00 -0.63 0.00 0.00 43.02 42.86 1x4b s PHE 71 CO 0.00 -0.68 0.00 0.41 -0.05 0.00 0.00 175.22 174.90 1x4b n GLY 72 N 0.37 2.76 3.22 1.99 0.00 -0.62 -0.69 105.19 112.22 1x4b n GLY 72 Ca -0.17 -0.76 -0.21 0.00 0.00 0.00 0.00 46.02 44.87 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 -3.28 1.49 -0.14 1.61 0.40 0.16 0.15 117.98 118.37 1x4b s PHE 73 Ca 0.00 -0.42 -0.00 0.00 -0.60 0.00 0.00 56.93 55.91 1x4b s PHE 73 Cb 0.00 -0.84 0.03 0.00 0.51 0.00 0.00 43.02 42.72 1x4b s PHE 73 CO 0.00 0.11 -0.08 0.14 0.70 0.00 0.00 175.22 176.09 1x4b s VAL 74 N -1.13 1.14 -0.51 -0.44 -7.23 -0.69 -1.36 120.40 110.18 1x4b s VAL 74 Ca 0.03 -0.46 -0.13 0.00 -1.81 0.00 0.00 61.98 59.60 1x4b s VAL 74 Cb -0.10 -1.20 0.13 0.00 0.56 0.00 0.00 36.38 35.77 1x4b s VAL 74 CO 0.03 0.30 0.44 -0.89 -0.31 0.00 0.00 175.10 174.67 1x4b s THR 75 N 1.65 4.81 1.01 5.32 2.01 -0.08 -2.11 115.64 128.24 1x4b s THR 75 Ca 0.04 -1.62 -0.12 0.00 0.31 0.00 0.00 61.69 60.30 1x4b s THR 75 Cb -0.13 -4.11 0.19 0.00 0.01 0.00 0.00 72.50 68.46 1x4b s THR 75 CO -0.08 -0.83 1.09 -0.36 -0.69 0.00 0.00 174.62 173.74 1x4b s PHE 76 N 1.50 2.05 -0.13 4.92 0.08 -1.20 0.19 117.98 125.39 1x4b s PHE 76 Ca 0.04 1.04 -0.24 0.00 0.12 0.00 0.00 56.93 57.89 1x4b s PHE 76 Cb -0.28 -3.24 -0.21 0.00 -0.57 0.00 0.00 43.02 38.71 1x4b s PHE 76 CO 0.01 -2.94 0.63 1.03 -0.10 0.00 0.00 175.22 173.85 1x4b h SER 77 N -1.93 0.00 -1.31 1.36 0.87 -1.75 -3.39 113.55 107.40 1x4b h SER 77 Ca -0.55 -0.82 -0.58 0.00 -1.23 0.00 0.00 61.79 58.62 1x4b h SER 77 Cb 1.33 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 63.20 1x4b h SER 77 CO 0.57 0.93 -0.46 -0.55 -0.53 0.00 0.00 176.83 176.78 1x4b s SER 78 N -6.12 4.46 0.32 6.23 0.15 -1.26 -5.03 113.70 112.45 1x4b s SER 78 Ca -0.16 -1.14 0.20 0.00 0.70 0.00 0.00 55.95 55.55 1x4b s SER 78 Cb -0.02 -0.25 0.17 0.00 -1.71 0.00 0.00 66.02 64.21 1x4b s SER 78 CO 0.57 -0.67 1.40 -0.03 1.20 0.00 0.00 173.24 175.72 1x4b h MET 79 N 1.29 0.00 0.41 5.44 4.05 -1.97 -3.30 114.93 120.86 1x4b h MET 79 Ca -0.42 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 58.98 1x4b h MET 79 Cb 1.27 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.07 1x4b h MET 79 CO 0.68 0.16 -0.20 0.00 0.23 0.00 0.00 176.91 177.78 1x4b h ALA 80 N 1.81 -0.84 -0.61 0.39 0.00 -1.97 -0.42 119.26 117.62 1x4b h ALA 80 Ca -0.01 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.83 1x4b h ALA 80 Cb 1.16 0.22 -0.08 0.00 0.00 0.00 0.00 17.79 19.08 1x4b h ALA 80 CO 0.02 -0.80 -0.44 0.93 0.00 0.00 0.00 179.25 178.96 1x4b h GLU 81 N -0.74 -0.10 -0.60 0.00 5.08 -1.81 0.38 114.58 116.80 1x4b h GLU 81 Ca -0.06 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.43 1x4b h GLU 81 Cb 0.43 0.02 -0.11 0.00 0.50 0.00 0.00 28.75 29.59 1x4b h GLU 81 CO 0.09 -0.06 -0.05 -0.24 -1.00 0.00 0.00 179.01 177.75 1x4b h VAL 82 N -0.10 0.46 -0.79 3.13 3.04 -1.64 1.01 116.25 121.36 1x4b h VAL 82 Ca 0.10 -0.02 0.19 0.00 -1.01 0.00 0.00 66.70 65.96 1x4b h VAL 82 Cb 0.36 0.38 -0.05 0.00 -2.01 0.00 0.00 31.29 29.97 1x4b h VAL 82 CO -0.62 0.01 0.54 0.44 -1.01 0.00 0.00 177.57 176.93 1x4b h ASP 83 N 0.07 0.22 0.01 3.17 3.32 0.14 0.22 116.42 123.58 1x4b h ASP 83 Ca 0.31 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.38 1x4b h ASP 83 Cb 0.49 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.02 1x4b h ASP 83 CO -0.56 0.10 -0.01 0.00 -1.72 0.00 0.00 179.24 177.06 1x4b h ALA 84 N 1.63 -0.02 -0.40 3.45 0.00 0.43 -2.99 119.26 121.37 1x4b h ALA 84 Ca 0.39 -0.27 0.07 0.00 0.00 0.00 0.00 54.91 55.10 1x4b h ALA 84 Cb 1.19 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.93 1x4b h ALA 84 CO -0.09 -0.24 0.04 0.00 0.00 0.00 0.00 179.25 178.97 1x4b h ALA 85 N 0.41 0.40 -0.96 0.00 0.00 0.84 -0.36 119.26 119.60 1x4b h ALA 85 Ca -0.00 0.10 0.24 0.00 0.00 0.00 0.00 54.91 55.24 1x4b h ALA 85 Cb 0.54 0.15 -0.13 0.00 0.00 0.00 0.00 17.79 18.35 1x4b h ALA 85 CO 0.00 -0.36 0.51 0.52 0.00 0.00 0.00 179.25 179.92 1x4b h MET 86 N 0.16 0.48 -1.79 0.00 2.07 -0.68 0.95 114.93 116.12 1x4b h MET 86 Ca 0.20 -0.03 -0.69 0.00 -2.07 0.00 0.00 59.70 57.11 1x4b h MET 86 Cb 0.26 -0.11 -0.34 0.00 -1.87 0.00 0.00 31.60 29.54 1x4b h MET 86 CO -0.29 0.32 0.22 0.00 1.07 0.00 0.00 176.91 178.23 1x4b n ALA 87 N -2.39 5.83 -2.14 6.32 0.00 -0.22 -4.50 120.51 123.41 1x4b n ALA 87 Ca 0.25 -4.23 0.05 0.00 0.00 0.00 0.00 53.44 49.50 1x4b n ALA 87 Cb 0.71 -1.32 0.10 0.00 0.00 0.00 0.00 19.45 18.94 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 -0.50 2.90 -2.34 0.00 0.00 0.33 -4.94 120.51 115.96 1x4b n ALA 88 Ca 0.47 -2.74 -0.26 0.00 0.00 0.00 0.00 53.44 50.91 1x4b n ALA 88 Cb 0.43 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 19.30 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 -1.33 3.39 1.07 0.00 0.52 -1.26 -4.46 118.95 116.89 1x4b s ARG 89 Ca 0.36 -0.03 -0.17 0.00 -0.52 0.00 0.00 55.73 55.36 1x4b s ARG 89 Cb 0.38 -2.45 0.24 0.00 0.52 0.00 0.00 34.95 33.64 1x4b s ARG 89 CO -0.13 -0.20 1.22 -1.25 0.02 0.00 0.00 175.30 174.96 1x4b s PRO 90 N -4.66 -0.21 -0.07 3.54 0.04 -1.26 -5.16 135.00 127.22 1x4b s PRO 90 Ca 0.47 -0.22 0.04 0.00 0.04 0.00 0.00 61.00 61.32 1x4b s PRO 90 Cb -0.10 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.71 1x4b s PRO 90 CO 0.42 -3.01 -0.18 -1.01 0.04 0.00 0.00 177.00 173.25 1x4b s HIS 91 N -3.45 1.94 -0.20 0.56 3.76 -1.26 -5.08 115.29 111.55 1x4b s HIS 91 Ca 0.72 -0.67 0.01 0.00 -0.15 0.00 0.00 55.06 54.98 1x4b s HIS 91 Cb -0.07 -1.32 0.03 0.00 1.11 0.00 0.00 32.58 32.34 1x4b s HIS 91 CO 0.54 -0.27 -0.15 -1.54 -0.85 0.00 0.00 174.74 172.47 1x4b s SER 92 N 0.26 3.48 0.04 1.40 1.04 -1.26 -0.48 113.70 118.19 1x4b s SER 92 Ca -0.11 -0.87 0.05 0.00 0.48 0.00 0.00 55.95 55.50 1x4b s SER 92 Cb -0.15 -1.43 -0.02 0.00 0.10 0.00 0.00 66.02 64.53 1x4b s SER 92 CO 0.04 -0.08 -0.13 -0.63 0.98 0.00 0.00 173.24 173.42 1x4b s ILE 93 N 1.28 1.05 -1.35 -1.02 -1.09 0.42 -4.69 121.20 115.80 1x4b s ILE 93 Ca 0.00 -1.00 0.00 0.00 -2.23 0.00 0.00 60.65 57.42 1x4b s ILE 93 Cb -0.15 -0.96 0.00 0.00 -1.58 0.00 0.00 42.46 39.76 1x4b s ILE 93 CO -0.10 -0.04 0.00 -0.67 -1.23 0.00 0.00 174.94 172.91 1x4b n ASP 94 N 1.85 -5.50 -0.10 3.58 2.03 -1.26 0.15 116.55 117.30 1x4b n ASP 94 Ca -0.18 0.31 -0.01 0.00 0.52 0.00 0.00 54.79 55.43 1x4b n ASP 94 Cb 0.55 -4.23 -0.00 0.00 -0.72 0.00 0.00 41.12 36.72 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 0.12 0.41 3.23 0.27 0.00 -1.26 -5.04 105.19 102.92 1x4b n GLY 95 Ca -0.13 -0.96 -0.13 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.93 1.01 -0.51 1.61 1.04 0.12 -5.10 118.95 114.19 1x4b s ARG 96 Ca 0.00 -1.42 -0.26 0.00 -1.04 0.00 0.00 55.73 53.01 1x4b s ARG 96 Cb 0.00 -0.54 0.03 0.00 -2.04 0.00 0.00 34.95 32.40 1x4b s ARG 96 CO 0.00 0.06 0.99 0.08 -0.04 0.00 0.00 175.30 176.39 1x4b s VAL 97 N -3.37 4.35 0.00 4.99 1.01 -1.26 -0.43 120.40 125.68 1x4b s VAL 97 Ca 0.16 0.64 0.00 0.00 0.00 0.00 0.00 61.98 62.77 1x4b s VAL 97 Cb 0.03 -4.53 0.00 0.00 0.00 0.00 0.00 36.38 31.88 1x4b s VAL 97 CO -0.01 -1.03 0.00 1.33 0.00 0.00 0.00 175.10 175.39 1x4b n VAL 98 N 6.42 0.00 -3.20 2.92 0.24 0.37 -4.94 118.33 120.12 1x4b n VAL 98 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.36 1x4b n VAL 98 Cb 0.48 -1.36 -0.03 0.00 -1.47 0.00 0.00 33.84 31.47 1x4b n VAL 98 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1x4b s GLU 99 N -1.69 0.51 0.30 7.34 2.02 0.15 -4.45 118.70 122.87 1x4b s GLU 99 Ca 0.00 0.83 -0.28 0.00 0.02 0.00 0.00 54.97 55.54 1x4b s GLU 99 Cb 0.00 0.25 -0.09 0.00 0.10 0.00 0.00 34.13 34.39 1x4b s GLU 99 CO 0.00 -0.67 1.08 -1.25 0.02 0.00 0.00 175.26 174.44 1x4b s PRO 100 N 2.77 4.57 0.36 0.39 0.04 -1.26 -0.87 135.00 141.01 1x4b s PRO 100 Ca 0.18 1.72 0.05 0.00 0.04 0.00 0.00 61.00 62.99 1x4b s PRO 100 Cb -0.15 -3.08 -0.03 0.00 0.04 0.00 0.00 34.50 31.29 1x4b s PRO 100 CO -0.20 0.17 0.18 0.15 0.04 0.00 0.00 177.00 177.34 1x4b s LYS 101 N -1.62 1.81 0.32 4.56 -0.14 0.12 -4.86 119.74 119.93 1x4b s LYS 101 Ca 0.47 -2.08 0.07 0.00 -1.36 0.00 0.00 55.97 53.07 1x4b s LYS 101 Cb -0.30 -0.22 -0.02 0.00 -1.68 0.00 0.00 37.83 35.61 1x4b s LYS 101 CO 0.38 -0.53 0.41 1.03 -0.76 0.00 0.00 175.35 175.88 1x4b s ARG 102 N -3.65 3.07 -0.51 1.68 0.52 -1.26 0.42 118.95 119.22 1x4b s ARG 102 Ca 0.31 -1.04 0.06 0.00 -0.52 0.00 0.00 55.73 54.54 1x4b s ARG 102 Cb 0.03 -2.75 0.37 0.00 0.52 0.00 0.00 34.95 33.12 1x4b s ARG 102 CO 0.19 0.13 0.98 0.00 0.02 0.00 0.00 175.30 176.62 1x4b n ALA 103 N -1.53 4.55 -2.33 2.13 0.00 -0.85 -3.55 120.51 118.92 1x4b n ALA 103 Ca -0.02 -4.43 -0.18 0.00 0.00 0.00 0.00 53.44 48.82 1x4b n ALA 103 Cb 0.58 -0.70 -0.10 0.00 0.00 0.00 0.00 19.45 19.24 1x4b n ALA 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1x4b s VAL 104 N -4.59 1.67 -0.00 0.00 -7.23 -1.26 -4.78 120.40 104.21 1x4b s VAL 104 Ca 0.47 -2.20 -0.01 0.00 -1.81 0.00 0.00 61.98 58.43 1x4b s VAL 104 Cb 0.33 -2.02 0.00 0.00 0.56 0.00 0.00 36.38 35.25 1x4b s VAL 104 CO -0.14 -0.61 0.02 0.00 -0.31 0.00 0.00 175.10 174.06 1x4b n ALA 105 N -0.36 -2.30 -2.68 1.32 0.00 -1.26 -5.07 120.51 110.15 1x4b n ALA 105 Ca -0.08 0.62 -0.09 0.00 0.00 0.00 0.00 53.44 53.89 1x4b n ALA 105 Cb 0.60 -1.61 -0.10 0.00 0.00 0.00 0.00 19.45 18.34 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 -0.79 0.48 0.20 0.00 3.00 -1.26 -5.10 118.95 115.48 1x4b s ARG 106 Ca -0.03 -0.80 0.11 0.00 -1.00 0.00 0.00 55.73 54.01 1x4b s ARG 106 Cb 0.00 0.18 -0.04 0.00 0.00 0.00 0.00 34.95 35.09 1x4b s ARG 106 CO 0.08 -0.10 -0.22 -2.00 0.00 0.00 0.00 175.30 173.06 1x4b s GLU 107 N -2.44 1.48 -0.26 5.12 2.56 -1.26 -5.11 118.70 118.79 1x4b s GLU 107 Ca -0.07 -1.53 -0.28 0.00 0.00 0.00 0.00 54.97 53.09 1x4b s GLU 107 Cb -0.03 -1.70 0.17 0.00 2.00 0.00 0.00 34.13 34.57 1x4b s GLU 107 CO -0.04 0.36 1.27 -2.00 -0.56 0.00 0.00 175.26 174.29 1x4b s GLU 108 N -2.83 0.21 0.28 4.30 2.12 -1.26 -5.19 118.70 116.32 1x4b s GLU 108 Ca 0.21 0.09 -0.20 0.00 0.36 0.00 0.00 54.97 55.43 1x4b s GLU 108 Cb -0.07 0.10 0.02 0.00 0.26 0.00 0.00 34.13 34.44 1x4b s GLU 108 CO 0.10 -0.06 0.69 0.45 -0.54 0.00 0.00 175.26 175.90 1x4b s SER 109 N -0.75 -0.23 0.00 -1.70 0.15 -1.26 -5.14 113.70 104.76 1x4b s SER 109 Ca 0.06 -0.67 0.00 0.00 0.70 0.00 0.00 55.95 56.04 1x4b s SER 109 Cb -0.02 0.71 0.00 0.00 -1.71 0.00 0.00 66.02 65.00 1x4b s SER 109 CO -0.07 -1.33 0.00 0.61 1.20 0.00 0.00 173.24 173.65 1x4b n GLY 110 N -0.45 0.22 3.26 9.45 0.00 -1.26 -5.19 105.19 111.22 1x4b n GLY 110 Ca -0.04 0.56 -0.13 0.00 0.00 0.00 0.00 46.02 46.41 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 0.00 -0.22 0.00 1.61 1.04 -1.26 -5.10 113.70 109.77 1x4b s SER 111 Ca 0.00 0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.53 1x4b s SER 111 Cb 0.00 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.45 1x4b s SER 111 CO 0.00 -0.48 0.00 0.61 0.98 0.00 0.00 173.24 174.35 1x4b n GLY 112 N 1.15 -1.72 3.76 7.32 0.00 -1.26 -5.18 105.19 109.27 1x4b n GLY 112 Ca -0.21 0.76 -0.30 0.00 0.00 0.00 0.00 46.02 46.27 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 0.00 -0.27 -0.26 1.61 0.04 -1.26 -5.10 135.00 129.77 1x4b s PRO 113 Ca 0.00 -0.24 -0.35 0.00 0.04 0.00 0.00 61.00 60.46 1x4b s PRO 113 Cb 0.00 -1.72 0.16 0.00 0.04 0.00 0.00 34.50 32.98 1x4b s PRO 113 CO 0.00 -3.05 1.32 -1.54 0.04 0.00 0.00 177.00 173.77 1x4b s SER 114 N -4.40 -0.06 0.24 6.66 1.04 -1.26 -5.10 113.70 110.83 1x4b s SER 114 Ca 0.72 0.03 0.00 0.00 0.48 0.00 0.00 55.95 57.18 1x4b s SER 114 Cb -0.07 0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.12 1x4b s SER 114 CO 0.54 -0.09 0.00 -0.24 0.98 0.00 0.00 173.24 174.43 1x4b n SER 115 N 0.15 0.01 -0.20 7.02 2.88 -1.26 -5.37 113.62 116.85 1x4b n SER 115 Ca 0.02 0.41 0.15 0.00 -1.33 0.00 0.00 58.87 58.12 1x4b n SER 115 Cb 0.58 0.28 0.78 0.00 -0.75 0.00 0.00 64.21 65.09 1x4b n SER 115 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42