#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 -0.11 0.07 1.61 0.15 -1.26 -5.19 113.70 108.97 1x4b s SER 2 Ca 0.00 0.08 -0.27 0.00 0.70 0.00 0.00 55.95 56.47 1x4b s SER 2 Cb 0.00 0.10 0.08 0.00 -1.71 0.00 0.00 66.02 64.50 1x4b s SER 2 CO 0.00 -0.13 0.85 -0.94 1.20 0.00 0.00 173.24 174.22 1x4b s SER 3 N -1.43 -0.35 0.00 5.45 1.04 -1.26 -5.16 113.70 111.99 1x4b s SER 3 Ca 0.08 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.39 1x4b s SER 3 Cb -0.01 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.57 1x4b s SER 3 CO -0.05 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 174.01 1x4b n GLY 4 N -0.33 3.18 0.00 7.32 0.00 -1.26 -5.19 105.19 108.91 1x4b n GLY 4 Ca -0.09 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 -3.64 1.61 3.41 -1.26 -5.19 113.62 108.55 1x4b n SER 5 Ca 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.64 1x4b n SER 5 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1x4b n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x4b s SER 6 N 0.00 -0.01 0.00 4.04 0.01 -1.26 -5.17 113.70 111.31 1x4b s SER 6 Ca 0.00 -0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.22 1x4b s SER 6 Cb 0.00 0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.28 1x4b s SER 6 CO 0.00 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.17 1x4b n GLY 7 N -0.58 2.94 3.62 3.44 0.00 -1.26 -5.16 105.19 108.19 1x4b n GLY 7 Ca -0.07 -1.42 -0.08 0.00 0.00 0.00 0.00 46.02 44.45 1x4b n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1x4b s MET 8 N -5.36 0.42 0.00 1.61 0.00 -1.26 -5.10 119.30 109.62 1x4b s MET 8 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 55.69 56.04 1x4b s MET 8 Cb 0.00 0.20 0.00 0.00 0.00 0.00 0.00 34.83 35.03 1x4b s MET 8 CO 0.00 -0.08 0.00 0.39 0.00 0.00 0.00 175.02 175.33 1x4b n GLU 9 N 1.60 0.00 -0.84 3.16 1.02 -1.26 -5.17 120.64 119.14 1x4b n GLU 9 Ca -0.11 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.14 1x4b n GLU 9 Cb 0.57 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.94 1x4b n GLU 9 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1x4b n LYS 10 N -2.08 -1.88 -3.33 3.49 5.02 -1.26 -4.94 118.16 113.19 1x4b n LYS 10 Ca 0.00 1.46 -0.16 0.00 -2.02 0.00 0.00 58.31 57.59 1x4b n LYS 10 Cb 0.00 -2.22 0.08 0.00 -0.02 0.00 0.00 35.03 32.87 1x4b n LYS 10 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1x4b n THR 11 N -3.49 -7.17 -4.32 -0.18 -1.04 -1.26 -5.02 114.28 91.80 1x4b n THR 11 Ca -0.04 -0.83 -0.20 0.00 -2.04 0.00 0.00 64.05 60.95 1x4b n THR 11 Cb 0.40 -5.57 -0.11 0.00 -1.82 0.00 0.00 70.33 63.23 1x4b n THR 11 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1x4b s LEU 12 N -5.89 2.48 0.57 -4.42 1.43 -1.26 -5.06 118.68 106.52 1x4b s LEU 12 Ca 0.18 -0.92 0.00 0.00 -1.03 0.00 0.00 54.13 52.36 1x4b s LEU 12 Cb -0.02 -0.71 0.00 0.00 0.03 0.00 0.00 46.19 45.48 1x4b s LEU 12 CO 0.72 -0.11 0.00 -0.62 0.23 0.00 0.00 176.35 176.57 1x4b n GLU 13 N 0.05 -4.09 -4.45 1.70 1.02 -1.26 -4.97 120.64 108.64 1x4b n GLU 13 Ca -0.11 3.16 -0.24 0.00 -0.02 0.00 0.00 57.16 59.95 1x4b n GLU 13 Cb 0.58 -3.89 -0.17 0.00 -0.02 0.00 0.00 31.44 27.95 1x4b n GLU 13 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1x4b s THR 14 N -5.14 0.99 0.24 2.62 2.01 -1.26 -5.14 115.64 109.97 1x4b s THR 14 Ca 0.00 -0.39 -0.04 0.00 0.31 0.00 0.00 61.69 61.57 1x4b s THR 14 Cb 0.00 -0.93 -0.05 0.00 0.01 0.00 0.00 72.50 71.53 1x4b s THR 14 CO 0.00 0.33 0.49 0.68 -0.69 0.00 0.00 174.62 175.43 1x4b s VAL 15 N 0.79 5.08 0.29 3.82 -7.23 -1.26 -5.06 120.40 116.82 1x4b s VAL 15 Ca -0.13 -0.01 -0.29 0.00 -1.81 0.00 0.00 61.98 59.74 1x4b s VAL 15 Cb -0.15 -3.71 -0.09 0.00 0.56 0.00 0.00 36.38 32.99 1x4b s VAL 15 CO 0.02 -0.22 1.08 -2.16 -0.31 0.00 0.00 175.10 173.51 1x4b s PRO 16 N -3.31 4.61 0.23 4.82 0.04 -1.26 -5.05 135.00 135.08 1x4b s PRO 16 Ca 0.43 1.74 0.06 0.00 0.04 0.00 0.00 61.00 63.26 1x4b s PRO 16 Cb -0.11 -3.13 -0.03 0.00 0.04 0.00 0.00 34.50 31.27 1x4b s PRO 16 CO 0.28 0.21 0.25 -0.51 0.04 0.00 0.00 177.00 177.27 1x4b s LEU 17 N -1.55 4.01 -0.28 -3.56 1.02 -1.26 -5.12 118.68 111.94 1x4b s LEU 17 Ca 0.46 -0.11 -0.20 0.00 0.02 0.00 0.00 54.13 54.29 1x4b s LEU 17 Cb -0.30 -2.55 0.12 0.00 0.02 0.00 0.00 46.19 43.47 1x4b s LEU 17 CO 0.39 -0.03 0.94 -0.70 0.02 0.00 0.00 176.35 176.96 1x4b s GLU 18 N -3.77 0.52 0.44 1.70 2.12 -1.26 -5.15 118.70 113.29 1x4b s GLU 18 Ca 0.33 0.74 -0.24 0.00 0.36 0.00 0.00 54.97 56.17 1x4b s GLU 18 Cb -0.09 0.18 -0.08 0.00 0.26 0.00 0.00 34.13 34.41 1x4b s GLU 18 CO 0.26 -0.08 1.21 -0.98 -0.54 0.00 0.00 175.26 175.13 1x4b s ARG 19 N 0.84 3.81 -0.06 4.30 1.70 -1.25 -4.77 118.95 123.53 1x4b s ARG 19 Ca -0.03 1.90 0.04 0.00 -0.47 0.00 0.00 55.73 57.16 1x4b s ARG 19 Cb -0.04 -2.52 0.00 0.00 -0.57 0.00 0.00 34.95 31.81 1x4b s ARG 19 CO -0.11 -0.54 -0.17 0.15 -1.08 0.00 0.00 175.30 173.55 1x4b s LYS 20 N -2.53 1.93 0.74 3.89 -0.14 -1.25 -5.07 119.74 117.31 1x4b s LYS 20 Ca 0.61 -0.60 -0.05 0.00 -1.36 0.00 0.00 55.97 54.58 1x4b s LYS 20 Cb -0.32 -1.62 0.11 0.00 -1.68 0.00 0.00 37.83 34.33 1x4b s LYS 20 CO 0.39 0.19 1.03 0.21 -0.76 0.00 0.00 175.35 176.41 1x4b s LYS 21 N 0.22 1.72 0.28 1.68 2.36 -1.26 -4.94 119.74 119.80 1x4b s LYS 21 Ca -0.08 -0.74 0.00 0.00 -2.55 0.00 0.00 55.97 52.60 1x4b s LYS 21 Cb -0.13 -2.22 0.00 0.00 -1.05 0.00 0.00 37.83 34.42 1x4b s LYS 21 CO 0.03 -1.49 0.00 0.54 1.55 0.00 0.00 175.35 175.99 1x4b n ARG 22 N -2.97 -3.63 -0.12 4.03 5.12 -1.26 -4.60 116.66 113.24 1x4b n ARG 22 Ca 0.12 2.62 -0.24 0.00 -1.93 0.00 0.00 57.85 58.43 1x4b n ARG 22 Cb 0.60 -2.90 -0.10 0.00 -1.16 0.00 0.00 32.46 28.91 1x4b n ARG 22 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1x4b n GLU 23 N 0.10 0.57 -0.09 5.56 1.02 -1.26 -3.58 120.64 122.95 1x4b n GLU 23 Ca 0.00 0.39 0.13 0.00 -0.02 0.00 0.00 57.16 57.66 1x4b n GLU 23 Cb 0.00 -1.59 0.52 0.00 -0.02 0.00 0.00 31.44 30.35 1x4b n GLU 23 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1x4b h LYS 24 N -1.00 0.35 0.34 3.49 1.79 -1.98 0.19 116.57 119.75 1x4b h LYS 24 Ca -0.48 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 57.95 1x4b h LYS 24 Cb 1.40 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.97 1x4b h LYS 24 CO -0.29 0.23 -0.16 1.49 -1.08 0.00 0.00 179.45 179.64 1x4b h GLU 25 N 0.36 -0.44 0.00 3.15 4.81 -1.90 -2.38 114.58 118.19 1x4b h GLU 25 Ca 0.29 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 1x4b h GLU 25 Cb 0.65 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.13 1x4b h GLU 25 CO -0.08 -0.29 0.21 -0.56 -0.73 0.00 0.00 179.01 177.56 1x4b h GLN 26 N -0.63 0.00 -0.04 1.92 3.07 -1.53 1.65 115.11 119.55 1x4b h GLN 26 Ca -0.05 0.00 -0.23 0.00 0.09 0.00 0.00 58.65 58.46 1x4b h GLN 26 Cb 0.35 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.92 1x4b h GLN 26 CO 0.08 0.00 -0.90 0.74 0.09 0.00 0.00 178.83 178.83 1x4b h PHE 27 N 0.00 0.81 -0.01 0.06 -1.00 -0.44 -3.27 116.94 113.08 1x4b h PHE 27 Ca 0.00 -0.41 0.00 0.00 2.81 0.00 0.00 57.97 60.37 1x4b h PHE 27 Cb 0.42 -0.10 0.00 0.00 3.61 0.00 0.00 35.95 39.87 1x4b h PHE 27 CO 0.00 1.23 -0.13 0.54 -1.61 0.00 0.00 178.31 178.33 1x4b n ARG 28 N -3.83 1.41 -3.43 1.51 1.74 0.82 -4.91 116.66 109.97 1x4b n ARG 28 Ca -0.08 -1.09 -0.40 0.00 -0.77 0.00 0.00 57.85 55.51 1x4b n ARG 28 Cb 0.81 -1.25 -0.10 0.00 -1.02 0.00 0.00 32.46 30.90 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 -1.46 3.83 0.08 5.56 2.36 0.53 -3.04 119.74 127.60 1x4b s LYS 29 Ca 0.15 -0.21 0.03 0.00 -2.55 0.00 0.00 55.97 53.39 1x4b s LYS 29 Cb 0.12 -3.71 -0.04 0.00 -1.05 0.00 0.00 37.83 33.14 1x4b s LYS 29 CO 0.26 -0.36 0.05 -0.51 1.55 0.00 0.00 175.35 176.35 1x4b s LEU 30 N 1.99 3.68 -0.30 5.43 1.02 -0.54 -4.27 118.68 125.69 1x4b s LEU 30 Ca 0.12 -0.06 -0.05 0.00 0.02 0.00 0.00 54.13 54.16 1x4b s LEU 30 Cb -0.16 -2.37 0.03 0.00 0.02 0.00 0.00 46.19 43.71 1x4b s LEU 30 CO 0.11 0.18 0.05 0.12 0.02 0.00 0.00 176.35 176.82 1x4b s PHE 31 N -1.35 3.19 0.03 0.29 2.19 0.21 -0.65 117.98 121.89 1x4b s PHE 31 Ca 0.28 -1.42 -0.25 0.00 0.33 0.00 0.00 56.93 55.87 1x4b s PHE 31 Cb -0.12 -2.20 -0.05 0.00 -1.31 0.00 0.00 43.02 39.34 1x4b s PHE 31 CO 0.20 -0.70 0.77 0.42 1.83 0.00 0.00 175.22 177.74 1x4b s ILE 32 N 1.38 4.78 -0.09 3.12 -1.09 0.40 0.73 121.20 130.44 1x4b s ILE 32 Ca -0.01 1.63 0.04 0.00 -2.23 0.00 0.00 60.65 60.08 1x4b s ILE 32 Cb -0.18 -4.12 0.00 0.00 -1.58 0.00 0.00 42.46 36.58 1x4b s ILE 32 CO 0.01 0.34 -0.20 -0.83 -1.23 0.00 0.00 174.94 173.02 1x4b s GLY 33 N 0.13 1.16 0.00 6.18 0.00 -0.23 -1.61 107.32 112.95 1x4b s GLY 33 Ca 0.39 -0.80 0.00 0.00 0.00 0.00 0.00 44.72 44.31 1x4b s GLY 33 CO 0.23 -0.20 0.00 0.61 0.00 0.00 0.00 173.10 173.74 1x4b n GLY 34 N 3.60 -0.10 0.94 0.20 0.00 0.17 -0.63 105.19 109.36 1x4b n GLY 34 Ca -0.20 -0.32 0.12 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.52 2.91 0.00 0.99 4.77 0.24 -4.29 117.00 121.10 1x4b n LEU 35 Ca 0.00 -1.03 0.00 0.00 -0.03 0.00 0.00 56.01 54.95 1x4b n LEU 35 Cb 0.17 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1x4b n LEU 35 CO 0.00 0.52 0.00 -0.24 -1.33 0.00 0.00 177.39 176.34 1x4b n SER 36 N 1.24 0.00 0.00 -1.43 2.88 -1.26 -2.83 113.62 112.22 1x4b n SER 36 Ca 0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.70 1x4b n SER 36 Cb 0.57 -0.83 0.00 0.00 -0.75 0.00 0.00 64.21 63.21 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 -2.00 0.00 -0.99 0.66 3.72 -1.26 -4.75 117.46 112.84 1x4b n PHE 37 Ca 0.00 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.49 1x4b n PHE 37 Cb 0.00 -0.59 0.20 0.00 -0.94 0.00 0.00 39.48 38.15 1x4b n PHE 37 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1x4b n GLU 38 N -2.00 2.17 -4.05 -1.08 2.13 -1.15 -4.47 120.64 112.20 1x4b n GLU 38 Ca 0.00 -2.67 -0.32 0.00 0.66 0.00 0.00 57.16 54.83 1x4b n GLU 38 Cb 0.00 -1.65 -0.15 0.00 0.27 0.00 0.00 31.44 29.91 1x4b n GLU 38 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1x4b s THR 39 N -2.77 2.18 0.81 6.31 2.01 -1.13 -4.94 115.64 118.12 1x4b s THR 39 Ca 0.36 -1.86 -0.12 0.00 0.31 0.00 0.00 61.69 60.39 1x4b s THR 39 Cb 0.30 -2.40 0.08 0.00 0.01 0.00 0.00 72.50 70.50 1x4b s THR 39 CO 0.06 -0.22 1.15 0.42 -0.69 0.00 0.00 174.62 175.34 1x4b s THR 40 N 1.05 2.30 0.18 -0.82 -4.23 -1.26 -4.76 115.64 108.09 1x4b s THR 40 Ca -0.02 0.10 -0.23 0.00 -1.18 0.00 0.00 61.69 60.36 1x4b s THR 40 Cb -0.20 -3.03 0.08 0.00 1.34 0.00 0.00 72.50 70.70 1x4b s THR 40 CO -0.06 -0.13 1.58 -0.33 -0.54 0.00 0.00 174.62 175.14 1x4b h GLU 41 N -1.09 -0.19 0.92 3.99 5.08 -1.95 0.22 114.58 121.57 1x4b h GLU 41 Ca -0.47 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 57.86 1x4b h GLU 41 Cb 1.31 0.04 0.01 0.00 0.50 0.00 0.00 28.75 30.61 1x4b h GLU 41 CO 0.64 -0.13 -0.46 0.93 -1.00 0.00 0.00 179.01 178.99 1x4b h GLU 42 N -0.20 -1.22 -1.60 2.33 3.07 -1.93 0.38 114.58 115.41 1x4b h GLU 42 Ca 0.21 0.08 0.47 0.00 -0.50 0.00 0.00 59.36 59.62 1x4b h GLU 42 Cb 0.56 0.28 -0.08 0.00 -0.84 0.00 0.00 28.75 28.67 1x4b h GLU 42 CO -0.67 -0.81 1.13 0.77 -1.40 0.00 0.00 179.01 178.03 1x4b h SER 43 N -1.27 0.06 0.18 1.42 0.02 -1.73 1.67 113.55 113.90 1x4b h SER 43 Ca -0.13 0.03 -0.29 0.00 -0.84 0.00 0.00 61.79 60.56 1x4b h SER 43 Cb 0.98 0.02 0.02 0.00 0.14 0.00 0.00 62.40 63.56 1x4b h SER 43 CO 0.19 -0.03 -1.35 0.25 -1.14 0.00 0.00 176.83 174.75 1x4b h LEU 44 N 0.03 0.59 -0.41 5.07 5.85 0.23 -3.32 115.31 123.34 1x4b h LEU 44 Ca 0.80 -0.92 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 1x4b h LEU 44 Cb 3.05 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 43.87 1x4b h LEU 44 CO -0.09 1.63 0.24 0.03 -0.34 0.00 0.00 178.44 179.91 1x4b h ARG 45 N -0.11 0.56 -0.14 1.25 3.08 0.63 0.83 114.38 120.49 1x4b h ARG 45 Ca -0.26 -0.06 0.04 0.00 0.07 0.00 0.00 59.98 59.78 1x4b h ARG 45 Cb 1.92 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.85 1x4b h ARG 45 CO 0.17 0.43 0.42 -0.97 -1.07 0.00 0.00 179.97 178.95 1x4b h ASN 46 N 0.54 0.00 0.05 7.04 -1.24 0.31 1.29 115.58 123.58 1x4b h ASN 46 Ca 0.15 0.00 -0.35 0.00 0.71 0.00 0.00 56.30 56.80 1x4b h ASN 46 Cb 0.02 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.03 1x4b h ASN 46 CO -0.03 0.00 -2.00 0.00 -1.29 0.00 0.00 177.43 174.12 1x4b n TYR 47 N -3.12 0.78 -0.31 0.67 9.36 -0.23 -4.20 117.16 120.11 1x4b n TYR 47 Ca 0.01 0.22 -0.01 0.00 3.32 0.00 0.00 57.90 61.44 1x4b n TYR 47 Cb 0.51 -1.09 0.23 0.00 -0.63 0.00 0.00 39.34 38.35 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 -3.76 1.56 -0.03 2.98 4.02 0.16 -3.82 117.16 118.26 1x4b n TYR 48 Ca -0.38 -0.73 0.04 0.00 -0.01 0.00 0.00 57.90 56.82 1x4b n TYR 48 Cb 0.93 -0.47 -0.15 0.00 -0.02 0.00 0.00 39.34 39.63 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 0.14 0.66 0.02 -0.72 1.02 0.42 -3.55 120.64 118.63 1x4b n GLU 49 Ca 0.24 -0.10 -0.11 0.00 -0.02 0.00 0.00 57.16 57.18 1x4b n GLU 49 Cb 0.99 -1.55 0.03 0.00 -0.02 0.00 0.00 31.44 30.88 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 0.00 0.54 -0.04 3.49 3.07 -1.80 -3.20 115.11 117.17 1x4b h GLN 50 Ca -0.18 -0.38 -0.11 0.00 0.09 0.00 0.00 58.65 58.07 1x4b h GLN 50 Cb 1.43 0.06 0.01 0.00 0.08 0.00 0.00 27.48 29.06 1x4b h GLN 50 CO 0.01 1.00 -0.39 -1.49 0.09 0.00 0.00 178.83 178.05 1x4b h TRP 51 N 0.39 0.48 -2.10 0.06 6.55 -1.80 -3.48 115.95 116.06 1x4b h TRP 51 Ca -0.01 -0.23 0.19 0.00 0.95 0.00 0.00 58.89 59.78 1x4b h TRP 51 Cb 1.20 -0.07 -0.12 0.00 -0.86 0.00 0.00 29.16 29.31 1x4b h TRP 51 CO 0.05 1.00 0.57 0.20 -1.05 0.00 0.00 178.44 179.21 1x4b s GLY 52 N -3.89 -0.34 -0.45 1.49 0.00 -1.21 -4.60 107.32 98.32 1x4b s GLY 52 Ca -0.14 0.65 -0.25 0.00 0.00 0.00 0.00 44.72 44.98 1x4b s GLY 52 CO 0.79 0.18 0.88 0.54 0.00 0.00 0.00 173.10 175.49 1x4b s LYS 53 N -3.01 3.50 -0.28 2.90 1.02 -1.26 -3.59 119.74 119.02 1x4b s LYS 53 Ca 0.10 0.09 -0.29 0.00 0.02 0.00 0.00 55.97 55.90 1x4b s LYS 53 Cb -0.00 -3.93 -0.02 0.00 -0.52 0.00 0.00 37.83 33.36 1x4b s LYS 53 CO -0.03 -1.18 1.65 -0.51 -0.92 0.00 0.00 175.35 174.36 1x4b s LEU 54 N 3.61 3.71 0.46 3.17 1.43 -1.26 -2.80 118.68 127.00 1x4b s LEU 54 Ca 0.35 1.40 0.18 0.00 -1.03 0.00 0.00 54.13 55.03 1x4b s LEU 54 Cb -0.11 -3.53 1.14 0.00 0.03 0.00 0.00 46.19 43.73 1x4b s LEU 54 CO 0.25 -1.44 1.97 0.71 0.23 0.00 0.00 176.35 178.07 1x4b h THR 55 N 6.43 0.82 -1.96 5.49 1.35 0.19 -3.42 112.91 121.81 1x4b h THR 55 Ca -0.33 -0.10 -0.02 0.00 -0.55 0.00 0.00 66.41 65.41 1x4b h THR 55 Cb 1.15 0.51 -0.22 0.00 -1.73 0.00 0.00 68.15 67.87 1x4b h THR 55 CO 1.02 0.05 0.15 -0.62 -0.25 0.00 0.00 175.52 175.87 1x4b s ASP 56 N -6.17 -0.75 -0.10 5.36 2.15 -1.22 -5.01 116.67 110.93 1x4b s ASP 56 Ca -0.07 1.40 0.01 0.00 0.43 0.00 0.00 52.55 54.32 1x4b s ASP 56 Cb 0.20 1.41 0.02 0.00 -0.30 0.00 0.00 42.92 44.25 1x4b s ASP 56 CO 0.75 -0.24 -0.10 0.00 -0.17 0.00 0.00 175.17 175.40 1x4b s VAL 58 N 1.28 2.11 -0.15 0.00 1.01 -0.45 -4.90 120.40 119.31 1x4b s VAL 58 Ca -0.02 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 60.90 1x4b s VAL 58 Cb -0.14 -1.76 0.02 0.00 0.00 0.00 0.00 36.38 34.51 1x4b s VAL 58 CO -0.04 0.57 -0.14 0.54 0.00 0.00 0.00 175.10 176.04 1x4b s VAL 59 N -0.29 1.57 0.20 2.92 0.11 -1.26 0.39 120.40 124.04 1x4b s VAL 59 Ca 0.00 -0.66 -0.30 0.00 -2.93 0.00 0.00 61.98 58.09 1x4b s VAL 59 Cb -0.13 -1.49 -0.08 0.00 -1.53 0.00 0.00 36.38 33.15 1x4b s VAL 59 CO 0.02 0.43 1.22 -0.04 -3.33 0.00 0.00 175.10 173.40 1x4b s MET 60 N 1.48 4.47 -0.06 1.54 -1.94 -0.51 -4.91 119.30 119.37 1x4b s MET 60 Ca 0.04 1.93 0.00 0.00 -1.71 0.00 0.00 55.69 55.96 1x4b s MET 60 Cb -0.13 -3.22 0.02 0.00 2.01 0.00 0.00 34.83 33.51 1x4b s MET 60 CO -0.10 -0.11 -0.05 1.03 -0.01 0.00 0.00 175.02 175.78 1x4b s ARG 61 N -0.37 0.98 -0.25 2.03 0.52 -1.26 0.18 118.95 120.79 1x4b s ARG 61 Ca 0.53 -0.12 -0.43 0.00 -0.52 0.00 0.00 55.73 55.19 1x4b s ARG 61 Cb -0.34 -1.04 -0.19 0.00 0.52 0.00 0.00 34.95 33.90 1x4b s ARG 61 CO 0.38 -0.14 1.39 -3.47 0.02 0.00 0.00 175.30 173.48 1x4b n ASP 62 N 4.37 0.86 0.23 0.23 -0.08 0.31 -4.74 116.55 117.72 1x4b n ASP 62 Ca -0.19 1.16 0.13 0.00 -1.51 0.00 0.00 54.79 54.38 1x4b n ASP 62 Cb 0.51 -0.94 0.39 0.00 2.34 0.00 0.00 41.12 43.43 1x4b n ASP 62 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1x4b h PRO 63 N 4.37 0.00 0.02 -0.67 0.13 -1.95 1.26 132.00 135.16 1x4b h PRO 63 Ca -0.47 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.28 1x4b h PRO 63 Cb 1.39 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.46 1x4b h PRO 63 CO 0.84 0.08 -2.13 0.00 -0.23 0.00 0.00 178.00 176.57 1x4b n ALA 64 N -2.13 1.10 0.08 -0.56 0.00 -1.26 -4.40 120.51 113.34 1x4b n ALA 64 Ca 0.02 -0.87 -0.09 0.00 0.00 0.00 0.00 53.44 52.50 1x4b n ALA 64 Cb 0.45 -0.21 -0.03 0.00 0.00 0.00 0.00 19.45 19.66 1x4b n ALA 64 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1x4b h SER 65 N -0.63 0.24 -0.13 0.00 0.87 -1.94 -3.47 113.55 108.50 1x4b h SER 65 Ca -0.55 -0.21 -0.06 0.00 -1.23 0.00 0.00 61.79 59.75 1x4b h SER 65 Cb 1.66 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 63.52 1x4b h SER 65 CO -0.23 1.04 -0.05 0.29 -0.53 0.00 0.00 176.83 177.35 1x4b n LYS 66 N -3.62 -0.38 -4.55 2.24 4.01 0.43 -4.98 118.16 111.31 1x4b n LYS 66 Ca -0.04 0.43 -0.31 0.00 -0.51 0.00 0.00 58.31 57.88 1x4b n LYS 66 Cb 0.84 -3.97 -0.12 0.00 -0.51 0.00 0.00 35.03 31.27 1x4b n LYS 66 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1x4b s ARG 67 N -1.56 2.25 0.12 1.97 1.81 -1.20 -4.80 118.95 117.54 1x4b s ARG 67 Ca 0.00 -0.89 -0.35 0.00 -1.72 0.00 0.00 55.73 52.77 1x4b s ARG 67 Cb 0.00 -2.31 -0.17 0.00 -0.45 0.00 0.00 34.95 32.02 1x4b s ARG 67 CO 0.00 0.56 1.14 0.45 -0.68 0.00 0.00 175.30 176.77 1x4b n SER 68 N 1.48 0.96 0.22 0.23 2.88 -1.26 0.11 113.62 118.24 1x4b n SER 68 Ca -0.16 1.14 0.07 0.00 -1.33 0.00 0.00 58.87 58.59 1x4b n SER 68 Cb 0.52 -1.14 0.50 0.00 -0.75 0.00 0.00 64.21 63.35 1x4b n SER 68 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1x4b h ARG 69 N 3.39 0.00 0.00 -1.46 2.47 0.17 -3.43 114.38 115.52 1x4b h ARG 69 Ca -0.44 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.28 1x4b h ARG 69 Cb 1.36 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.68 1x4b h ARG 69 CO 0.70 0.26 0.00 0.41 0.56 0.00 0.00 179.97 181.90 1x4b n GLY 70 N -0.43 1.09 3.53 0.04 0.00 -1.25 -4.87 105.19 103.30 1x4b n GLY 70 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.66 0.00 1.61 -0.12 -1.26 0.79 117.98 116.34 1x4b s PHE 71 Ca 0.00 1.29 0.00 0.00 -0.05 0.00 0.00 56.93 58.17 1x4b s PHE 71 Cb 0.00 0.35 0.00 0.00 -0.63 0.00 0.00 43.02 42.74 1x4b s PHE 71 CO 0.00 -0.53 0.00 0.41 -0.05 0.00 0.00 175.22 175.05 1x4b n GLY 72 N 1.45 3.78 3.12 1.99 0.00 -0.63 -1.42 105.19 113.47 1x4b n GLY 72 Ca -0.18 -0.98 -0.15 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.27 0.90 -0.06 1.61 0.40 0.16 -0.45 117.98 118.27 1x4b s PHE 73 Ca 0.00 -0.53 -0.01 0.00 -0.60 0.00 0.00 56.93 55.79 1x4b s PHE 73 Cb 0.00 -0.52 0.03 0.00 0.51 0.00 0.00 43.02 43.04 1x4b s PHE 73 CO 0.00 -0.03 -0.01 0.14 0.70 0.00 0.00 175.22 176.02 1x4b s VAL 74 N -1.60 0.41 -0.43 -0.44 -7.23 0.17 -1.33 120.40 109.94 1x4b s VAL 74 Ca -0.04 0.06 -0.11 0.00 -1.81 0.00 0.00 61.98 60.08 1x4b s VAL 74 Cb -0.08 -0.54 0.08 0.00 0.56 0.00 0.00 36.38 36.40 1x4b s VAL 74 CO 0.01 0.25 0.29 -0.89 -0.31 0.00 0.00 175.10 174.45 1x4b s THR 75 N 1.69 4.49 1.02 5.32 2.01 -0.51 -1.47 115.64 128.19 1x4b s THR 75 Ca 0.01 -1.31 -0.12 0.00 0.31 0.00 0.00 61.69 60.57 1x4b s THR 75 Cb -0.13 -3.73 0.20 0.00 0.01 0.00 0.00 72.50 68.86 1x4b s THR 75 CO -0.04 -0.52 1.09 -0.36 -0.69 0.00 0.00 174.62 174.09 1x4b s PHE 76 N 1.48 2.01 -0.05 4.92 0.08 -1.17 0.19 117.98 125.45 1x4b s PHE 76 Ca 0.03 1.01 0.03 0.00 0.12 0.00 0.00 56.93 58.12 1x4b s PHE 76 Cb -0.23 -3.25 -0.25 0.00 -0.57 0.00 0.00 43.02 38.72 1x4b s PHE 76 CO 0.03 -3.02 0.66 1.03 -0.10 0.00 0.00 175.22 173.82 1x4b h SER 77 N -1.99 0.22 -3.05 1.36 0.87 -1.89 -3.40 113.55 105.68 1x4b h SER 77 Ca -0.55 -0.41 -0.50 0.00 -1.23 0.00 0.00 61.79 59.10 1x4b h SER 77 Cb 1.33 -0.07 -0.14 0.00 -0.44 0.00 0.00 62.40 63.08 1x4b h SER 77 CO 0.57 1.36 -0.59 -0.44 -0.53 0.00 0.00 176.83 177.20 1x4b s SER 78 N -6.61 2.58 0.16 6.23 0.01 -1.26 -5.05 113.70 109.76 1x4b s SER 78 Ca -0.10 -1.45 0.13 0.00 1.31 0.00 0.00 55.95 55.84 1x4b s SER 78 Cb 0.07 0.04 -0.07 0.00 0.21 0.00 0.00 66.02 66.28 1x4b s SER 78 CO 0.82 -0.67 1.19 -0.03 0.41 0.00 0.00 173.24 174.95 1x4b h MET 79 N 2.01 0.00 0.76 12.44 4.05 -1.98 -3.26 114.93 128.94 1x4b h MET 79 Ca -0.40 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 58.98 1x4b h MET 79 Cb 1.25 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 32.06 1x4b h MET 79 CO 0.68 0.56 -0.36 0.00 0.23 0.00 0.00 176.91 178.02 1x4b h ALA 80 N 1.32 -1.06 -0.37 0.39 0.00 -1.96 0.16 119.26 117.74 1x4b h ALA 80 Ca -0.07 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.66 1x4b h ALA 80 Cb 1.57 0.39 -0.07 0.00 0.00 0.00 0.00 17.79 19.68 1x4b h ALA 80 CO 0.08 -0.99 -0.49 0.93 0.00 0.00 0.00 179.25 178.78 1x4b h GLU 81 N -1.21 -0.33 -0.60 0.00 5.08 -1.81 0.30 114.58 116.01 1x4b h GLU 81 Ca -0.10 0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.39 1x4b h GLU 81 Cb 0.78 0.08 -0.09 0.00 0.50 0.00 0.00 28.75 30.02 1x4b h GLU 81 CO 0.17 -0.22 0.09 -0.24 -1.00 0.00 0.00 179.01 177.81 1x4b h VAL 82 N -0.35 0.61 -0.05 3.13 3.04 -1.61 1.15 116.25 122.17 1x4b h VAL 82 Ca 0.06 -0.07 0.01 0.00 -1.01 0.00 0.00 66.70 65.69 1x4b h VAL 82 Cb 0.52 0.37 -0.00 0.00 -2.01 0.00 0.00 31.29 30.17 1x4b h VAL 82 CO -0.53 0.04 0.15 0.44 -1.01 0.00 0.00 177.57 176.66 1x4b h ASP 83 N 0.22 0.00 0.06 3.17 3.32 0.16 -1.55 116.42 121.80 1x4b h ASP 83 Ca 0.31 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.36 1x4b h ASP 83 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1x4b h ASP 83 CO -0.43 0.00 -0.03 0.00 -1.72 0.00 0.00 179.24 177.06 1x4b h ALA 84 N 1.76 -0.16 -0.99 3.45 0.00 0.48 -3.04 119.26 120.76 1x4b h ALA 84 Ca 0.02 -0.02 0.25 0.00 0.00 0.00 0.00 54.91 55.16 1x4b h ALA 84 Cb 0.32 0.03 -0.19 0.00 0.00 0.00 0.00 17.79 17.95 1x4b h ALA 84 CO -0.00 -0.15 -0.06 0.00 0.00 0.00 0.00 179.25 179.03 1x4b h ALA 85 N -1.59 1.00 -0.17 0.00 0.00 -0.85 0.55 119.26 118.21 1x4b h ALA 85 Ca -0.01 0.36 0.05 0.00 0.00 0.00 0.00 54.91 55.31 1x4b h ALA 85 Cb 0.06 0.65 -0.07 0.00 0.00 0.00 0.00 17.79 18.44 1x4b h ALA 85 CO 0.01 -0.51 -0.31 0.52 0.00 0.00 0.00 179.25 178.96 1x4b h MET 86 N 0.00 -0.35 -2.06 0.00 2.07 -1.41 -1.43 114.93 111.75 1x4b h MET 86 Ca 0.56 0.02 -0.58 0.00 -2.07 0.00 0.00 59.70 57.63 1x4b h MET 86 Cb 1.07 0.08 -0.19 0.00 -1.87 0.00 0.00 31.60 30.68 1x4b h MET 86 CO -0.96 -0.24 0.71 0.00 1.07 0.00 0.00 176.91 177.49 1x4b n ALA 87 N -2.85 6.49 -2.82 6.32 0.00 0.19 -4.19 120.51 123.65 1x4b n ALA 87 Ca -0.02 -3.39 -0.00 0.00 0.00 0.00 0.00 53.44 50.02 1x4b n ALA 87 Cb 0.32 -2.17 0.06 0.00 0.00 0.00 0.00 19.45 17.66 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 0.64 2.63 -2.64 0.00 0.00 -0.54 -4.93 120.51 115.67 1x4b n ALA 88 Ca 0.51 -2.60 -0.23 0.00 0.00 0.00 0.00 53.44 51.12 1x4b n ALA 88 Cb 0.46 -0.88 -0.01 0.00 0.00 0.00 0.00 19.45 19.02 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 -3.42 3.39 0.85 0.00 0.52 -1.26 -4.46 118.95 114.57 1x4b s ARG 89 Ca 0.25 -0.47 -0.14 0.00 -0.52 0.00 0.00 55.73 54.85 1x4b s ARG 89 Cb 0.34 -2.69 0.20 0.00 0.52 0.00 0.00 34.95 33.32 1x4b s ARG 89 CO -0.05 0.12 0.93 -0.35 0.02 0.00 0.00 175.30 175.98 1x4b n PRO 90 N -1.77 -1.82 -4.83 3.54 -0.04 -1.26 -5.16 135.00 123.66 1x4b n PRO 90 Ca -0.04 -1.46 -0.27 0.00 -0.04 0.00 0.00 63.50 61.68 1x4b n PRO 90 Cb 0.57 -1.15 -0.17 0.00 -0.04 0.00 0.00 33.50 32.71 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 -2.88 1.88 -0.21 0.54 3.76 -1.26 -5.08 115.29 112.03 1x4b s HIS 91 Ca 0.56 -0.72 0.02 0.00 -0.15 0.00 0.00 55.06 54.77 1x4b s HIS 91 Cb -0.03 -1.31 0.04 0.00 1.11 0.00 0.00 32.58 32.39 1x4b s HIS 91 CO 0.41 -0.32 -0.13 -1.54 -0.85 0.00 0.00 174.74 172.31 1x4b s SER 92 N 0.51 3.69 0.03 1.40 1.04 -1.26 -0.10 113.70 119.00 1x4b s SER 92 Ca -0.16 -1.00 0.02 0.00 0.48 0.00 0.00 55.95 55.29 1x4b s SER 92 Cb -0.16 -1.40 -0.02 0.00 0.10 0.00 0.00 66.02 64.53 1x4b s SER 92 CO 0.06 -0.12 -0.06 -0.63 0.98 0.00 0.00 173.24 173.46 1x4b s ILE 93 N 1.27 0.40 -0.37 -1.02 1.01 0.93 -4.75 121.20 118.67 1x4b s ILE 93 Ca -0.02 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 59.74 1x4b s ILE 93 Cb -0.17 -0.47 0.00 0.00 0.01 0.00 0.00 42.46 41.83 1x4b s ILE 93 CO -0.08 -0.33 0.00 -0.67 0.00 0.00 0.00 174.94 173.85 1x4b n ASP 94 N 1.75 -5.08 0.00 3.58 -0.08 -1.26 -0.66 116.55 114.80 1x4b n ASP 94 Ca -0.21 0.09 0.00 0.00 -1.51 0.00 0.00 54.79 53.15 1x4b n ASP 94 Cb 0.55 -2.88 0.00 0.00 2.34 0.00 0.00 41.12 41.13 1x4b n ASP 94 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1x4b n GLY 95 N -0.36 0.70 3.56 0.27 0.00 -1.26 -5.03 105.19 103.07 1x4b n GLY 95 Ca -0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.28 1.85 -0.50 1.61 1.70 0.17 -5.10 118.95 118.39 1x4b s ARG 96 Ca 0.00 -2.01 -0.19 0.00 -0.47 0.00 0.00 55.73 53.06 1x4b s ARG 96 Cb 0.00 -1.52 0.05 0.00 -0.57 0.00 0.00 34.95 32.91 1x4b s ARG 96 CO 0.00 -0.01 0.64 0.08 -1.08 0.00 0.00 175.30 174.94 1x4b s VAL 97 N -2.78 4.85 0.26 4.99 1.01 -1.26 -0.05 120.40 127.41 1x4b s VAL 97 Ca 0.34 -0.40 -0.01 0.00 0.00 0.00 0.00 61.98 61.91 1x4b s VAL 97 Cb 0.07 -4.30 0.05 0.00 0.00 0.00 0.00 36.38 32.20 1x4b s VAL 97 CO 0.17 -0.80 0.35 1.33 0.00 0.00 0.00 175.10 176.15 1x4b n VAL 98 N 5.66 0.00 -3.24 2.92 0.24 0.85 -4.97 118.33 119.79 1x4b n VAL 98 Ca -0.06 -0.49 -0.02 0.00 -2.04 0.00 0.00 64.34 61.73 1x4b n VAL 98 Cb 0.46 -1.32 -0.04 0.00 -1.47 0.00 0.00 33.84 31.46 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 -3.40 0.47 0.71 7.34 -1.05 0.20 -4.20 118.70 118.76 1x4b s GLU 99 Ca 0.22 0.72 -0.11 0.00 -0.15 0.00 0.00 54.97 55.66 1x4b s GLU 99 Cb -0.01 0.04 0.02 0.00 -0.44 0.00 0.00 34.13 33.74 1x4b s GLU 99 CO 0.15 -0.68 1.07 -1.25 0.95 0.00 0.00 175.26 175.49 1x4b s PRO 100 N 2.70 2.79 0.06 -4.83 0.04 -1.26 -1.07 135.00 133.44 1x4b s PRO 100 Ca 0.16 0.90 -0.00 0.00 0.04 0.00 0.00 61.00 62.10 1x4b s PRO 100 Cb -0.15 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 1x4b s PRO 100 CO -0.20 -1.19 -0.04 0.15 0.04 0.00 0.00 177.00 175.76 1x4b s LYS 101 N -5.06 0.64 0.18 4.56 1.02 0.23 -4.84 119.74 116.46 1x4b s LYS 101 Ca 0.58 -1.18 -0.06 0.00 0.02 0.00 0.00 55.97 55.34 1x4b s LYS 101 Cb -0.14 0.07 0.08 0.00 -0.52 0.00 0.00 37.83 37.33 1x4b s LYS 101 CO 0.55 -0.07 1.53 -0.09 -0.92 0.00 0.00 175.35 176.35 1x4b h ARG 102 N 3.29 0.75 -1.28 1.68 2.43 -1.89 0.62 114.38 119.99 1x4b h ARG 102 Ca -0.34 -0.39 -0.01 0.00 -0.81 0.00 0.00 59.98 58.43 1x4b h ARG 102 Cb 1.16 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 1x4b h ARG 102 CO 0.62 1.02 -0.02 0.00 -1.51 0.00 0.00 179.97 180.08 1x4b n ALA 103 N -2.52 -0.04 -2.39 2.80 0.00 -1.26 -3.87 120.51 113.23 1x4b n ALA 103 Ca -0.02 0.01 -0.10 0.00 0.00 0.00 0.00 53.44 53.33 1x4b n ALA 103 Cb 0.53 -0.62 -0.09 0.00 0.00 0.00 0.00 19.45 19.28 1x4b n ALA 103 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1x4b s VAL 104 N -3.01 0.08 -0.32 0.00 1.01 -1.26 -4.81 120.40 112.10 1x4b s VAL 104 Ca 0.01 -1.70 -0.01 0.00 0.00 0.00 0.00 61.98 60.29 1x4b s VAL 104 Cb -0.01 -1.98 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 1x4b s VAL 104 CO 0.02 -0.38 0.29 0.00 0.00 0.00 0.00 175.10 175.03 1x4b n ALA 105 N -0.15 -1.59 -3.18 5.51 0.00 -1.26 -5.05 120.51 114.79 1x4b n ALA 105 Ca -0.06 0.02 -0.05 0.00 0.00 0.00 0.00 53.44 53.35 1x4b n ALA 105 Cb 0.63 -1.36 -0.03 0.00 0.00 0.00 0.00 19.45 18.70 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 -3.22 0.82 0.04 0.00 6.06 -1.26 -5.14 118.95 116.26 1x4b s ARG 106 Ca 0.07 -0.62 -0.27 0.00 -2.50 0.00 0.00 55.73 52.41 1x4b s ARG 106 Cb -0.01 -0.19 0.08 0.00 0.06 0.00 0.00 34.95 34.89 1x4b s ARG 106 CO 0.27 -1.22 0.72 -2.00 -2.50 0.00 0.00 175.30 170.57 1x4b s GLU 107 N 1.51 1.06 -0.38 5.12 2.12 -1.26 -3.83 118.70 123.04 1x4b s GLU 107 Ca 0.19 -0.20 0.06 0.00 0.36 0.00 0.00 54.97 55.38 1x4b s GLU 107 Cb -0.06 0.49 0.17 0.00 0.26 0.00 0.00 34.13 34.99 1x4b s GLU 107 CO -0.06 -0.42 0.51 -2.00 -0.54 0.00 0.00 175.26 172.75 1x4b s GLU 108 N -2.75 0.72 0.00 4.30 2.12 -1.26 -5.06 118.70 116.76 1x4b s GLU 108 Ca -0.01 -0.47 0.00 0.00 0.36 0.00 0.00 54.97 54.85 1x4b s GLU 108 Cb -0.01 -0.27 0.00 0.00 0.26 0.00 0.00 34.13 34.12 1x4b s GLU 108 CO -0.05 -1.18 0.00 0.45 -0.54 0.00 0.00 175.26 173.94 1x4b n SER 109 N 4.42 0.00 -3.96 -1.70 2.88 -1.26 -5.11 113.62 108.89 1x4b n SER 109 Ca 0.10 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.54 1x4b n SER 109 Cb 0.51 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.85 1x4b n SER 109 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x4b s GLY 110 N 0.00 0.22 0.00 0.46 0.00 -1.26 -5.15 107.32 101.59 1x4b s GLY 110 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 44.72 44.27 1x4b s GLY 110 CO 0.00 -0.49 0.00 1.44 0.00 0.00 0.00 173.10 174.05 1x4b n SER 111 N 2.03 0.00 0.00 1.64 7.64 -1.26 -5.17 113.62 118.50 1x4b n SER 111 Ca -0.20 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.68 1x4b n SER 111 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 1x4b n SER 111 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4b n GLY 112 N -0.11 1.45 0.07 0.23 0.00 -1.26 -5.07 105.19 100.50 1x4b n GLY 112 Ca 0.00 0.45 -0.14 0.00 0.00 0.00 0.00 46.02 46.33 1x4b n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4b h PRO 113 N 0.00 0.02 -3.32 1.61 0.13 -2.10 -3.50 132.00 124.85 1x4b h PRO 113 Ca 0.00 -0.02 0.19 0.00 -0.87 0.00 0.00 66.00 65.31 1x4b h PRO 113 Cb 0.00 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.03 1x4b h PRO 113 CO 0.00 0.76 -1.07 0.43 -0.23 0.00 0.00 178.00 177.90 1x4b n SER 114 N -4.71 -7.44 -3.76 1.44 7.64 -1.26 -5.06 113.62 100.47 1x4b n SER 114 Ca -0.09 1.51 -0.09 0.00 1.01 0.00 0.00 58.87 61.21 1x4b n SER 114 Cb 0.38 -4.59 -0.03 0.00 -1.01 0.00 0.00 64.21 58.96 1x4b n SER 114 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x4b s SER 115 N -6.29 -0.31 0.00 6.43 1.04 -1.26 -5.35 113.70 107.97 1x4b s SER 115 Ca 0.00 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 55.94 1x4b s SER 115 Cb 0.00 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.78 1x4b s SER 115 CO 0.00 -1.19 0.00 0.61 0.98 0.00 0.00 173.24 173.64