#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 3.15 -0.26 1.61 0.01 -1.26 -5.13 113.70 111.82 1x4b s SER 2 Ca 0.00 -0.67 -0.28 0.00 1.31 0.00 0.00 55.95 56.31 1x4b s SER 2 Cb 0.00 -0.24 0.17 0.00 0.21 0.00 0.00 66.02 66.16 1x4b s SER 2 CO 0.00 0.20 1.28 -0.55 0.41 0.00 0.00 173.24 174.59 1x4b s SER 3 N -1.66 -0.14 0.05 2.44 0.15 -1.26 -5.19 113.70 108.09 1x4b s SER 3 Ca 0.12 0.20 -0.28 0.00 0.70 0.00 0.00 55.95 56.69 1x4b s SER 3 Cb -0.10 0.18 0.09 0.00 -1.71 0.00 0.00 66.02 64.48 1x4b s SER 3 CO 0.04 -0.10 1.09 -0.83 1.20 0.00 0.00 173.24 174.65 1x4b s GLY 4 N -0.65 -0.33 -0.03 9.45 0.00 -1.26 -5.19 107.32 109.32 1x4b s GLY 4 Ca 0.06 0.53 -0.30 0.00 0.00 0.00 0.00 44.72 45.01 1x4b s GLY 4 CO -0.08 0.12 1.31 -0.45 0.00 0.00 0.00 173.10 174.00 1x4b s SER 5 N -2.86 -0.04 0.00 1.64 0.15 -1.26 -5.19 113.70 106.14 1x4b s SER 5 Ca 0.12 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.64 1x4b s SER 5 Cb 0.01 0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.46 1x4b s SER 5 CO -0.02 -0.26 0.00 -1.20 1.20 0.00 0.00 173.24 172.96 1x4b n SER 6 N -0.56 0.00 -3.64 5.45 7.64 -1.26 -5.18 113.62 116.08 1x4b n SER 6 Ca -0.08 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.74 1x4b n SER 6 Cb 0.63 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.76 1x4b n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x4b s GLY 7 N 0.00 -0.05 0.26 0.23 0.00 -1.26 -5.18 107.32 101.32 1x4b s GLY 7 Ca 0.00 2.93 0.02 0.00 0.00 0.00 0.00 44.72 47.67 1x4b s GLY 7 CO 0.00 2.14 0.22 1.06 0.00 0.00 0.00 173.10 176.52 1x4b s MET 8 N 0.64 1.48 0.18 2.90 -1.94 -1.26 -5.18 119.30 116.12 1x4b s MET 8 Ca -0.01 -1.79 -0.23 0.00 -1.71 0.00 0.00 55.69 51.94 1x4b s MET 8 Cb -0.04 0.31 0.06 0.00 2.01 0.00 0.00 34.83 37.16 1x4b s MET 8 CO -0.10 -0.53 0.65 -1.21 -0.01 0.00 0.00 175.02 173.82 1x4b s GLU 9 N -3.80 1.36 -0.14 2.03 2.02 -1.26 -5.18 118.70 113.73 1x4b s GLU 9 Ca 0.39 -0.58 -0.32 0.00 0.02 0.00 0.00 54.97 54.48 1x4b s GLU 9 Cb 0.04 0.58 0.13 0.00 0.10 0.00 0.00 34.13 34.98 1x4b s GLU 9 CO 0.19 -0.60 1.11 -1.59 0.02 0.00 0.00 175.26 174.38 1x4b s LYS 10 N -3.73 0.46 -0.10 1.61 0.00 -1.26 -5.18 119.74 111.54 1x4b s LYS 10 Ca 0.04 -0.12 -0.26 0.00 0.00 0.00 0.00 55.97 55.63 1x4b s LYS 10 Cb -0.02 0.21 0.06 0.00 0.00 0.00 0.00 37.83 38.08 1x4b s LYS 10 CO -0.08 -0.19 0.62 -0.08 0.00 0.00 0.00 175.35 175.61 1x4b s THR 11 N -2.33 0.01 -0.03 3.79 -1.32 -1.26 -5.16 115.64 109.33 1x4b s THR 11 Ca 0.07 -0.07 0.02 0.00 -1.21 0.00 0.00 61.69 60.50 1x4b s THR 11 Cb -0.01 -0.91 0.01 0.00 -1.51 0.00 0.00 72.50 70.07 1x4b s THR 11 CO -0.05 -0.04 -0.08 -0.22 -2.21 0.00 0.00 174.62 172.02 1x4b s LEU 12 N -0.78 1.67 -0.19 9.08 1.98 -1.26 -5.12 118.68 124.06 1x4b s LEU 12 Ca -0.08 -0.19 -0.04 0.00 -2.89 0.00 0.00 54.13 50.93 1x4b s LEU 12 Cb -0.02 -0.56 0.09 0.00 0.66 0.00 0.00 46.19 46.36 1x4b s LEU 12 CO 0.07 0.03 0.25 -0.70 -1.89 0.00 0.00 176.35 174.11 1x4b s GLU 13 N 0.41 0.20 0.80 1.98 2.12 -1.26 -5.15 118.70 117.79 1x4b s GLU 13 Ca -0.07 0.36 -0.05 0.00 0.36 0.00 0.00 54.97 55.57 1x4b s GLU 13 Cb -0.11 -0.86 0.15 0.00 0.26 0.00 0.00 34.13 33.57 1x4b s GLU 13 CO 0.01 -0.58 1.10 0.95 -0.54 0.00 0.00 175.26 176.20 1x4b s THR 14 N 2.37 2.08 -0.27 -1.70 -4.23 -1.26 -4.95 115.64 107.68 1x4b s THR 14 Ca 0.07 -0.42 -0.40 0.00 -1.18 0.00 0.00 61.69 59.76 1x4b s THR 14 Cb -0.15 -2.66 -0.16 0.00 1.34 0.00 0.00 72.50 70.87 1x4b s THR 14 CO -0.12 0.00 1.73 1.33 -0.54 0.00 0.00 174.62 177.02 1x4b n VAL 15 N -3.13 0.29 -2.32 2.29 0.24 -1.26 -4.82 118.33 109.62 1x4b n VAL 15 Ca 0.15 -0.05 -0.41 0.00 -2.04 0.00 0.00 64.34 61.99 1x4b n VAL 15 Cb 0.60 -1.20 -0.03 0.00 -1.47 0.00 0.00 33.84 31.75 1x4b n VAL 15 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1x4b s PRO 16 N 3.42 3.18 -0.04 7.34 0.04 -1.26 -4.85 135.00 142.83 1x4b s PRO 16 Ca 0.98 0.48 -0.02 0.00 0.04 0.00 0.00 61.00 62.49 1x4b s PRO 16 Cb -1.07 -4.18 -0.01 0.00 0.04 0.00 0.00 34.50 29.28 1x4b s PRO 16 CO 0.65 -2.09 -0.03 1.25 0.04 0.00 0.00 177.00 176.83 1x4b h LEU 17 N 13.70 0.00 -1.44 -3.56 5.85 -1.88 -3.51 115.31 124.48 1x4b h LEU 17 Ca -0.27 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.45 1x4b h LEU 17 Cb 1.11 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.14 1x4b h LEU 17 CO 1.18 0.19 -0.95 1.21 -0.34 0.00 0.00 178.44 179.74 1x4b n GLU 18 N -2.91 -5.52 0.00 1.25 0.00 -1.26 -4.98 120.64 107.22 1x4b n GLU 18 Ca -0.01 3.92 0.00 0.00 0.00 0.00 0.00 57.16 61.07 1x4b n GLU 18 Cb 0.04 -4.22 0.00 0.00 0.00 0.00 0.00 31.44 27.26 1x4b n GLU 18 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1x4b n ARG 19 N 1.69 0.00 -3.17 5.31 0.63 -1.26 -5.01 116.66 114.85 1x4b n ARG 19 Ca 0.00 0.00 0.05 0.00 -0.92 0.00 0.00 57.85 56.98 1x4b n ARG 19 Cb 0.00 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 32.89 1x4b n ARG 19 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1x4b s LYS 20 N 0.00 0.14 0.23 -0.14 2.20 -1.26 -5.05 119.74 115.86 1x4b s LYS 20 Ca 0.00 0.26 0.00 0.00 -0.36 0.00 0.00 55.97 55.87 1x4b s LYS 20 Cb 0.00 0.15 0.00 0.00 -1.51 0.00 0.00 37.83 36.47 1x4b s LYS 20 CO 0.00 -0.14 0.00 1.17 -0.36 0.00 0.00 175.35 176.02 1x4b n LYS 21 N 5.39 -1.86 -0.96 4.03 4.81 -1.26 -4.73 118.16 123.59 1x4b n LYS 21 Ca -0.08 1.27 -0.36 0.00 -0.87 0.00 0.00 58.31 58.27 1x4b n LYS 21 Cb 0.54 -2.30 0.06 0.00 0.02 0.00 0.00 35.03 33.35 1x4b n LYS 21 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1x4b n ARG 22 N -2.99 -0.12 -0.03 1.64 3.00 -1.26 -4.87 116.66 112.03 1x4b n ARG 22 Ca -0.00 -0.03 -0.17 0.00 -0.00 0.00 0.00 57.85 57.65 1x4b n ARG 22 Cb 0.61 -1.15 -0.14 0.00 0.00 0.00 0.00 32.46 31.78 1x4b n ARG 22 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1x4b n GLU 23 N 1.71 0.71 0.25 -0.14 4.71 -1.26 -3.46 120.64 123.16 1x4b n GLU 23 Ca -0.01 0.23 0.12 0.00 -0.01 0.00 0.00 57.16 57.49 1x4b n GLU 23 Cb 0.60 -1.68 0.65 0.00 -1.01 0.00 0.00 31.44 30.00 1x4b n GLU 23 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 1x4b h LYS 24 N 0.04 0.00 0.22 3.49 1.79 -1.98 -0.35 116.57 119.79 1x4b h LYS 24 Ca -0.43 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.03 1x4b h LYS 24 Cb 2.02 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.67 1x4b h LYS 24 CO 0.05 0.15 -0.11 1.49 -1.08 0.00 0.00 179.45 179.95 1x4b h GLU 25 N 0.00 -0.29 -0.01 3.15 4.57 -1.94 -2.86 114.58 117.21 1x4b h GLU 25 Ca -0.00 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1x4b h GLU 25 Cb 0.47 0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.12 1x4b h GLU 25 CO 0.02 -0.13 0.01 -0.56 -1.18 0.00 0.00 179.01 177.18 1x4b h GLN 26 N -1.06 0.00 -0.26 1.92 3.07 -1.57 1.47 115.11 118.69 1x4b h GLN 26 Ca -0.03 0.00 -0.15 0.00 0.09 0.00 0.00 58.65 58.56 1x4b h GLN 26 Cb 0.30 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.85 1x4b h GLN 26 CO 0.05 0.00 -0.45 0.74 0.09 0.00 0.00 178.83 179.26 1x4b h PHE 27 N 0.00 0.79 0.00 0.06 -1.00 -1.09 -3.15 116.94 112.55 1x4b h PHE 27 Ca 0.00 -0.25 0.00 0.00 2.81 0.00 0.00 57.97 60.53 1x4b h PHE 27 Cb 0.03 -0.16 0.00 0.00 3.61 0.00 0.00 35.95 39.43 1x4b h PHE 27 CO 0.00 0.99 -1.35 0.54 -1.61 0.00 0.00 178.31 176.87 1x4b n ARG 28 N -4.01 0.25 -3.16 1.51 1.74 -0.25 -4.86 116.66 107.88 1x4b n ARG 28 Ca -0.02 -0.07 -0.41 0.00 -0.77 0.00 0.00 57.85 56.57 1x4b n ARG 28 Cb 0.55 -1.51 -0.07 0.00 -1.02 0.00 0.00 32.46 30.41 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 -3.20 3.82 0.03 5.56 2.20 0.49 -3.02 119.74 125.62 1x4b s LYS 29 Ca 0.02 0.15 0.04 0.00 -0.36 0.00 0.00 55.97 55.82 1x4b s LYS 29 Cb 0.15 -3.75 -0.04 0.00 -1.51 0.00 0.00 37.83 32.68 1x4b s LYS 29 CO 0.88 -0.59 -0.05 -0.51 -0.36 0.00 0.00 175.35 174.72 1x4b s LEU 30 N 2.54 3.24 -0.51 5.43 1.02 -0.07 -2.78 118.68 127.55 1x4b s LEU 30 Ca 0.23 -0.17 -0.17 0.00 0.02 0.00 0.00 54.13 54.04 1x4b s LEU 30 Cb -0.15 -1.91 0.09 0.00 0.02 0.00 0.00 46.19 44.24 1x4b s LEU 30 CO 0.12 0.25 0.50 0.12 0.02 0.00 0.00 176.35 177.36 1x4b s PHE 31 N -1.09 3.18 0.07 0.29 2.19 0.15 -0.12 117.98 122.64 1x4b s PHE 31 Ca 0.19 -0.93 -0.28 0.00 0.33 0.00 0.00 56.93 56.25 1x4b s PHE 31 Cb -0.11 -3.47 -0.05 0.00 -1.31 0.00 0.00 43.02 38.08 1x4b s PHE 31 CO 0.11 -0.94 0.87 0.42 1.83 0.00 0.00 175.22 177.51 1x4b s ILE 32 N 1.94 4.65 -0.05 3.12 -1.09 0.71 0.53 121.20 131.00 1x4b s ILE 32 Ca 0.07 1.87 0.02 0.00 -2.23 0.00 0.00 60.65 60.38 1x4b s ILE 32 Cb -0.24 -4.23 0.01 0.00 -1.58 0.00 0.00 42.46 36.42 1x4b s ILE 32 CO 0.07 0.32 -0.11 -0.83 -1.23 0.00 0.00 174.94 173.16 1x4b s GLY 33 N 0.12 0.68 0.00 6.18 0.00 -0.39 -1.67 107.32 112.24 1x4b s GLY 33 Ca 0.44 -0.35 0.00 0.00 0.00 0.00 0.00 44.72 44.81 1x4b s GLY 33 CO 0.26 0.09 0.00 0.61 0.00 0.00 0.00 173.10 174.07 1x4b n GLY 34 N 3.68 0.81 1.31 0.20 0.00 -0.80 -0.08 105.19 110.31 1x4b n GLY 34 Ca -0.22 -0.66 0.12 0.00 0.00 0.00 0.00 46.02 45.26 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 3.82 0.00 0.99 4.77 0.36 -4.19 117.00 122.75 1x4b n LEU 35 Ca 0.00 -1.87 0.00 0.00 -0.03 0.00 0.00 56.01 54.11 1x4b n LEU 35 Cb 0.00 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 1x4b n LEU 35 CO 0.00 0.94 0.00 -0.24 -1.33 0.00 0.00 177.39 176.76 1x4b n SER 36 N 1.60 0.00 0.00 -1.43 2.88 -1.26 -3.38 113.62 112.04 1x4b n SER 36 Ca 0.24 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.78 1x4b n SER 36 Cb 0.61 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 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 -0.08 0.66 3.72 -1.26 -4.66 117.46 115.84 1x4b n PHE 37 Ca 0.00 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.29 1x4b n PHE 37 Cb 0.00 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.48 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 -4.23 -1.08 4.81 -1.90 -3.41 114.58 108.77 1x4b h GLU 38 Ca 0.00 0.00 -0.40 0.00 -0.13 0.00 0.00 59.36 58.83 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 0.46 1.53 2.41 -0.73 0.00 0.00 179.01 182.68 1x4b n THR 39 N -4.57 0.00 -0.84 0.32 -1.04 -1.22 -4.85 114.28 102.08 1x4b n THR 39 Ca -0.16 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 61.78 1x4b n THR 39 Cb 0.41 -0.35 0.00 0.00 -1.82 0.00 0.00 70.33 68.57 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 6.06 0.00 0.29 12.58 -2.24 -1.26 -4.74 114.28 124.96 1x4b n THR 40 Ca 0.56 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 62.18 1x4b n THR 40 Cb 0.04 -1.92 -0.08 0.00 -2.10 0.00 0.00 70.33 66.27 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 -0.69 0.28 -0.78 5.08 -1.93 -1.15 114.58 115.39 1x4b h GLU 41 Ca 0.00 0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1x4b h GLU 41 Cb 0.00 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 1x4b h GLU 41 CO 0.00 -0.46 -0.19 0.93 -1.00 0.00 0.00 179.01 178.30 1x4b h GLU 42 N -0.71 -0.42 -1.04 2.33 5.08 -1.96 0.93 114.58 118.79 1x4b h GLU 42 Ca -0.06 0.03 0.41 0.00 -1.00 0.00 0.00 59.36 58.73 1x4b h GLU 42 Cb 0.56 0.10 -0.16 0.00 0.50 0.00 0.00 28.75 29.75 1x4b h GLU 42 CO 0.09 -0.28 0.60 0.43 -1.00 0.00 0.00 179.01 178.85 1x4b n SER 43 N -3.43 0.29 0.11 1.42 7.64 -1.23 0.11 113.62 118.53 1x4b n SER 43 Ca -0.05 1.47 -0.06 0.00 1.01 0.00 0.00 58.87 61.24 1x4b n SER 43 Cb 0.19 -0.72 -0.03 0.00 -1.01 0.00 0.00 64.21 62.64 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 -0.31 -0.81 -3.43 5.85 -0.60 -3.31 115.31 112.70 1x4b h LEU 44 Ca 0.80 0.01 0.20 0.00 0.84 0.00 0.00 57.88 59.72 1x4b h LEU 44 Cb 2.26 0.08 -0.13 0.00 0.37 0.00 0.00 40.66 43.23 1x4b h LEU 44 CO -0.63 0.14 0.12 0.03 -0.34 0.00 0.00 178.44 177.76 1x4b h ARG 45 N -1.10 0.16 -0.73 1.25 3.08 0.51 1.46 114.38 119.01 1x4b h ARG 45 Ca -0.04 -0.01 0.21 0.00 0.07 0.00 0.00 59.98 60.22 1x4b h ARG 45 Cb 0.29 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.27 1x4b h ARG 45 CO 0.06 0.10 0.82 -0.97 -1.07 0.00 0.00 179.97 178.92 1x4b h ASN 46 N 0.16 0.00 0.03 7.04 -1.24 0.75 1.53 115.58 123.85 1x4b h ASN 46 Ca 0.47 0.00 -0.30 0.00 0.71 0.00 0.00 56.30 57.18 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 -0.65 0.00 -1.65 0.00 -1.29 0.00 0.00 177.43 173.84 1x4b n TYR 47 N -3.50 0.90 0.14 0.67 9.36 0.49 -4.16 117.16 121.06 1x4b n TYR 47 Ca 0.15 0.33 -0.01 0.00 3.32 0.00 0.00 57.90 61.69 1x4b n TYR 47 Cb 1.07 -1.10 0.14 0.00 -0.63 0.00 0.00 39.34 38.82 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 -4.15 1.04 0.13 2.98 4.01 0.69 -3.57 117.16 118.29 1x4b n TYR 48 Ca -0.36 -0.56 0.11 0.00 -0.16 0.00 0.00 57.90 56.93 1x4b n TYR 48 Cb 0.81 -0.37 -0.14 0.00 -0.31 0.00 0.00 39.34 39.33 1x4b n TYR 48 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1x4b n GLU 49 N 0.11 0.57 0.14 -0.72 1.02 0.49 -4.02 120.64 118.24 1x4b n GLU 49 Ca 0.16 -0.14 -0.07 0.00 -0.02 0.00 0.00 57.16 57.10 1x4b n GLU 49 Cb 0.77 -1.55 -0.03 0.00 -0.02 0.00 0.00 31.44 30.61 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 -0.42 -1.00 3.49 4.20 -1.79 -3.22 115.11 116.37 1x4b h GLN 50 Ca 0.00 0.03 0.24 0.00 0.06 0.00 0.00 58.65 58.98 1x4b h GLN 50 Cb 0.94 0.09 -0.09 0.00 0.30 0.00 0.00 27.48 28.73 1x4b h GLN 50 CO 0.00 -0.28 0.64 -1.49 -0.67 0.00 0.00 178.83 177.04 1x4b h TRP 51 N -1.05 0.67 0.00 2.96 6.55 -1.80 -3.44 115.95 119.83 1x4b h TRP 51 Ca -0.04 0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.82 1x4b h TRP 51 Cb 0.33 -0.20 0.00 0.00 -0.86 0.00 0.00 29.16 28.43 1x4b h TRP 51 CO 0.00 0.11 0.00 0.41 -1.05 0.00 0.00 178.44 177.91 1x4b n GLY 52 N -1.47 0.76 3.66 1.49 0.00 -1.22 -4.52 105.19 103.89 1x4b n GLY 52 Ca 0.23 -0.50 -0.43 0.00 0.00 0.00 0.00 46.02 45.33 1x4b n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4b s LYS 53 N -2.00 4.24 -0.04 1.61 1.02 -1.25 -3.64 119.74 119.68 1x4b s LYS 53 Ca 0.00 1.46 -0.30 0.00 0.02 0.00 0.00 55.97 57.16 1x4b s LYS 53 Cb 0.00 -3.70 -0.03 0.00 -0.52 0.00 0.00 37.83 33.58 1x4b s LYS 53 CO 0.00 -0.68 1.19 -0.51 -0.92 0.00 0.00 175.35 174.43 1x4b s LEU 54 N 3.36 4.29 0.08 3.17 1.43 -1.26 -2.39 118.68 127.36 1x4b s LEU 54 Ca 0.48 1.82 0.13 0.00 -1.03 0.00 0.00 54.13 55.54 1x4b s LEU 54 Cb -0.18 -3.56 -0.14 0.00 0.03 0.00 0.00 46.19 42.34 1x4b s LEU 54 CO 0.10 -0.56 0.99 0.71 0.23 0.00 0.00 176.35 177.82 1x4b h THR 55 N 4.96 0.93 -2.80 5.49 1.35 0.06 -3.44 112.91 119.46 1x4b h THR 55 Ca -0.35 -2.55 -0.34 0.00 -0.55 0.00 0.00 66.41 62.62 1x4b h THR 55 Cb 1.17 2.39 -0.37 0.00 -1.73 0.00 0.00 68.15 69.61 1x4b h THR 55 CO 0.87 0.53 -0.65 -0.62 -0.25 0.00 0.00 175.52 175.40 1x4b s ASP 56 N -6.19 1.37 -0.11 5.36 2.15 -1.06 -5.02 116.67 113.16 1x4b s ASP 56 Ca -0.01 -0.13 0.00 0.00 0.43 0.00 0.00 52.55 52.84 1x4b s ASP 56 Cb 0.09 0.23 0.02 0.00 -0.30 0.00 0.00 42.92 42.96 1x4b s ASP 56 CO 0.81 -0.31 -0.10 0.00 -0.17 0.00 0.00 175.17 175.40 1x4b s VAL 58 N 1.45 1.63 -0.25 0.00 1.01 -0.41 -4.97 120.40 118.86 1x4b s VAL 58 Ca 0.01 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.12 1x4b s VAL 58 Cb -0.13 -1.36 0.06 0.00 0.00 0.00 0.00 36.38 34.95 1x4b s VAL 58 CO -0.07 0.46 -0.05 0.54 0.00 0.00 0.00 175.10 175.98 1x4b s VAL 59 N -0.46 1.68 0.61 2.92 0.11 -1.26 0.32 120.40 124.32 1x4b s VAL 59 Ca 0.07 -1.38 -0.19 0.00 -2.93 0.00 0.00 61.98 57.55 1x4b s VAL 59 Cb -0.08 -1.94 -0.03 0.00 -1.53 0.00 0.00 36.38 32.79 1x4b s VAL 59 CO -0.01 -0.14 1.16 0.23 -3.33 0.00 0.00 175.10 173.01 1x4b n MET 60 N 4.60 1.10 -3.89 1.54 2.81 0.26 -4.87 117.12 118.66 1x4b n MET 60 Ca -0.11 0.42 -0.21 0.00 -1.81 0.00 0.00 57.70 55.99 1x4b n MET 60 Cb 0.43 -2.38 -0.17 0.00 -0.71 0.00 0.00 33.22 30.40 1x4b n MET 60 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1x4b s ARG 61 N -3.03 0.61 -0.27 0.03 0.52 -1.26 -1.02 118.95 114.53 1x4b s ARG 61 Ca 0.78 0.05 -0.43 0.00 -0.52 0.00 0.00 55.73 55.61 1x4b s ARG 61 Cb -0.40 -0.86 -0.20 0.00 0.52 0.00 0.00 34.95 34.02 1x4b s ARG 61 CO 0.44 -0.22 1.40 -0.25 0.02 0.00 0.00 175.30 176.69 1x4b n ASP 62 N 4.72 0.87 0.17 0.23 8.00 -1.22 -4.66 116.55 124.65 1x4b n ASP 62 Ca -0.14 1.17 0.05 0.00 0.71 0.00 0.00 54.79 56.57 1x4b n ASP 62 Cb 0.50 -0.93 0.23 0.00 -0.02 0.00 0.00 41.12 40.90 1x4b n ASP 62 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1x4b h PRO 63 N 4.40 0.00 0.01 -0.24 0.13 -1.97 0.85 132.00 135.19 1x4b h PRO 63 Ca -0.47 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.41 1x4b h PRO 63 Cb 1.39 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.48 1x4b h PRO 63 CO 0.85 0.42 -1.35 0.00 -0.23 0.00 0.00 178.00 177.68 1x4b n ALA 64 N -2.26 0.80 -0.03 -0.56 0.00 -1.26 -4.44 120.51 112.76 1x4b n ALA 64 Ca 0.01 -0.51 -0.14 0.00 0.00 0.00 0.00 53.44 52.80 1x4b n ALA 64 Cb 0.59 -0.56 -0.10 0.00 0.00 0.00 0.00 19.45 19.39 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 -0.91 0.18 -0.28 0.00 0.02 -1.94 -3.47 113.55 107.14 1x4b h SER 65 Ca -0.37 -0.60 -0.10 0.00 -0.84 0.00 0.00 61.79 59.89 1x4b h SER 65 Cb 1.37 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 63.82 1x4b h SER 65 CO -0.19 0.75 -0.10 1.17 -1.14 0.00 0.00 176.83 177.32 1x4b n LYS 66 N -4.65 -0.35 -2.94 3.45 3.00 0.30 -4.94 118.16 112.03 1x4b n LYS 66 Ca -0.08 0.63 -0.24 0.00 -0.00 0.00 0.00 58.31 58.62 1x4b n LYS 66 Cb 0.37 -4.35 -0.03 0.00 0.00 0.00 0.00 35.03 31.02 1x4b n LYS 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1x4b n ARG 67 N -2.72 2.53 -1.61 1.64 1.74 -1.26 -4.91 116.66 112.07 1x4b n ARG 67 Ca -0.05 -4.33 0.00 0.00 -0.77 0.00 0.00 57.85 52.70 1x4b n ARG 67 Cb 0.20 -2.04 0.00 0.00 -1.02 0.00 0.00 32.46 29.60 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 -0.12 -8.69 -0.07 0.55 7.64 -1.26 -4.75 113.62 106.91 1x4b n SER 68 Ca 0.29 1.82 -0.22 0.00 1.01 0.00 0.00 58.87 61.77 1x4b n SER 68 Cb 0.52 -5.19 -0.12 0.00 -1.01 0.00 0.00 64.21 58.41 1x4b n SER 68 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1x4b n ARG 69 N -2.36 0.64 0.00 1.43 1.74 -0.19 -3.45 116.66 114.48 1x4b n ARG 69 Ca 0.00 0.40 0.00 0.00 -0.77 0.00 0.00 57.85 57.48 1x4b n ARG 69 Cb 0.42 -1.69 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 1x4b n ARG 69 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1x4b n GLY 70 N 1.67 1.54 3.43 -0.13 0.00 -1.26 -4.81 105.19 105.64 1x4b n GLY 70 Ca -0.36 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.51 0.00 1.61 -0.12 -1.26 0.14 117.98 115.84 1x4b s PHE 71 Ca 0.00 0.55 0.00 0.00 -0.05 0.00 0.00 56.93 57.43 1x4b s PHE 71 Cb 0.00 0.43 0.00 0.00 -0.63 0.00 0.00 43.02 42.82 1x4b s PHE 71 CO 0.00 -0.71 0.00 0.41 -0.05 0.00 0.00 175.22 174.87 1x4b n GLY 72 N 0.23 2.40 3.32 1.99 0.00 -0.67 -0.58 105.19 111.88 1x4b n GLY 72 Ca -0.18 -0.74 -0.24 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 -3.08 1.89 -0.10 1.61 0.40 0.15 -0.21 117.98 118.65 1x4b s PHE 73 Ca 0.00 -0.42 -0.01 0.00 -0.60 0.00 0.00 56.93 55.90 1x4b s PHE 73 Cb 0.00 -1.00 0.03 0.00 0.51 0.00 0.00 43.02 42.56 1x4b s PHE 73 CO 0.00 0.27 -0.03 0.14 0.70 0.00 0.00 175.22 176.30 1x4b s VAL 74 N -1.42 0.69 -0.33 -0.44 -7.23 0.83 -1.29 120.40 111.21 1x4b s VAL 74 Ca 0.11 -0.11 -0.05 0.00 -1.81 0.00 0.00 61.98 60.12 1x4b s VAL 74 Cb -0.09 -0.80 0.05 0.00 0.56 0.00 0.00 36.38 36.10 1x4b s VAL 74 CO 0.05 0.28 0.08 -0.89 -0.31 0.00 0.00 175.10 174.32 1x4b s THR 75 N 1.84 3.52 0.96 5.32 2.01 0.15 -0.89 115.64 128.56 1x4b s THR 75 Ca 0.05 -1.26 -0.16 0.00 0.31 0.00 0.00 61.69 60.62 1x4b s THR 75 Cb -0.13 -3.03 0.23 0.00 0.01 0.00 0.00 72.50 69.59 1x4b s THR 75 CO -0.07 -0.19 0.98 0.49 -0.69 0.00 0.00 174.62 175.15 1x4b n PHE 76 N 4.75 -3.83 -0.03 4.92 3.72 -1.17 0.67 117.46 126.49 1x4b n PHE 76 Ca -0.12 -0.88 -0.21 0.00 -0.05 0.00 0.00 57.45 56.18 1x4b n PHE 76 Cb 0.44 -0.92 -0.13 0.00 -0.94 0.00 0.00 39.48 37.92 1x4b n PHE 76 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1x4b h SER 77 N -2.13 0.28 -0.70 4.37 0.87 -1.81 -3.37 113.55 111.05 1x4b h SER 77 Ca -0.35 -0.79 -0.65 0.00 -1.23 0.00 0.00 61.79 58.77 1x4b h SER 77 Cb 1.03 -0.09 -0.12 0.00 -0.44 0.00 0.00 62.40 62.78 1x4b h SER 77 CO 0.23 1.65 -0.51 -0.55 -0.53 0.00 0.00 176.83 177.13 1x4b s SER 78 N -6.98 4.16 0.04 6.23 0.15 -1.26 -5.05 113.70 110.98 1x4b s SER 78 Ca -0.23 -1.52 0.09 0.00 0.70 0.00 0.00 55.95 54.99 1x4b s SER 78 Cb 0.05 0.28 -0.22 0.00 -1.71 0.00 0.00 66.02 64.42 1x4b s SER 78 CO 0.72 -0.79 0.97 -0.03 1.20 0.00 0.00 173.24 175.31 1x4b h MET 79 N 1.37 0.01 0.75 5.44 4.05 -1.97 -3.30 114.93 121.29 1x4b h MET 79 Ca -0.43 -0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 58.94 1x4b h MET 79 Cb 1.30 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 32.11 1x4b h MET 79 CO 0.73 0.76 -0.36 0.00 0.23 0.00 0.00 176.91 178.27 1x4b h ALA 80 N 0.98 -1.24 -0.57 0.39 0.00 -1.98 -0.09 119.26 116.76 1x4b h ALA 80 Ca -0.15 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.59 1x4b h ALA 80 Cb 1.90 0.39 -0.08 0.00 0.00 0.00 0.00 17.79 20.00 1x4b h ALA 80 CO 0.11 -1.17 -0.47 0.93 0.00 0.00 0.00 179.25 178.65 1x4b h GLU 81 N -1.04 -0.16 -0.97 0.00 3.07 -1.79 1.28 114.58 114.96 1x4b h GLU 81 Ca -0.10 0.01 0.26 0.00 -0.50 0.00 0.00 59.36 59.03 1x4b h GLU 81 Cb 0.78 0.04 -0.06 0.00 -0.84 0.00 0.00 28.75 28.67 1x4b h GLU 81 CO 0.17 -0.11 0.67 -0.24 -1.40 0.00 0.00 179.01 178.10 1x4b h VAL 82 N -0.17 0.56 -0.33 3.13 3.04 -1.62 1.21 116.25 122.07 1x4b h VAL 82 Ca 0.09 -0.07 -0.08 0.00 -1.01 0.00 0.00 66.70 65.64 1x4b h VAL 82 Cb 0.42 0.35 -0.02 0.00 -2.01 0.00 0.00 31.29 30.03 1x4b h VAL 82 CO -0.62 0.04 -0.12 -0.78 -1.01 0.00 0.00 177.57 175.07 1x4b h ASP 83 N 0.19 0.55 -0.21 3.17 3.58 0.35 -0.59 116.42 123.46 1x4b h ASP 83 Ca 0.49 -0.15 -0.06 0.00 0.42 0.00 0.00 57.03 57.74 1x4b h ASP 83 Cb 1.60 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 42.50 1x4b h ASP 83 CO -0.11 0.70 -0.09 0.00 -2.88 0.00 0.00 179.24 176.86 1x4b h ALA 84 N 1.35 0.29 -0.27 -0.78 0.00 0.38 -2.78 119.26 117.46 1x4b h ALA 84 Ca 0.09 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.74 1x4b h ALA 84 Cb 0.52 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1x4b h ALA 84 CO 0.03 0.11 0.11 0.00 0.00 0.00 0.00 179.25 179.51 1x4b h ALA 85 N 0.71 0.31 -1.00 0.00 0.00 -0.95 -1.43 119.26 116.90 1x4b h ALA 85 Ca 0.05 0.02 0.22 0.00 0.00 0.00 0.00 54.91 55.20 1x4b h ALA 85 Cb 0.57 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.24 1x4b h ALA 85 CO 0.03 -0.29 0.62 0.52 0.00 0.00 0.00 179.25 180.13 1x4b h MET 86 N 0.24 0.59 -1.65 0.00 2.07 -1.03 0.73 114.93 115.88 1x4b h MET 86 Ca 0.12 -0.04 -0.68 0.00 -2.07 0.00 0.00 59.70 57.03 1x4b h MET 86 Cb 0.06 -0.13 -0.34 0.00 -1.87 0.00 0.00 31.60 29.32 1x4b h MET 86 CO -0.10 0.39 0.22 0.00 1.07 0.00 0.00 176.91 178.49 1x4b n ALA 87 N -2.37 5.84 -2.66 6.32 0.00 -0.60 -4.58 120.51 122.46 1x4b n ALA 87 Ca 0.24 -4.13 -0.09 0.00 0.00 0.00 0.00 53.44 49.46 1x4b n ALA 87 Cb 0.69 -1.30 0.03 0.00 0.00 0.00 0.00 19.45 18.88 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 -0.56 3.44 -2.76 0.00 0.00 0.25 -4.94 120.51 115.95 1x4b n ALA 88 Ca 0.48 -3.19 -0.22 0.00 0.00 0.00 0.00 53.44 50.52 1x4b n ALA 88 Cb 0.48 -0.84 -0.04 0.00 0.00 0.00 0.00 19.45 19.05 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 -3.40 2.86 0.55 0.00 0.52 -1.26 -4.44 118.95 113.78 1x4b s ARG 89 Ca 0.31 -1.11 -0.09 0.00 -0.52 0.00 0.00 55.73 54.31 1x4b s ARG 89 Cb 0.41 -2.53 0.13 0.00 0.52 0.00 0.00 34.95 33.48 1x4b s ARG 89 CO -0.01 0.35 0.61 -0.35 0.02 0.00 0.00 175.30 175.92 1x4b n PRO 90 N -1.20 -1.36 -4.43 3.54 -0.04 -1.26 -5.16 135.00 125.10 1x4b n PRO 90 Ca -0.07 -0.95 -0.27 0.00 -0.04 0.00 0.00 63.50 62.17 1x4b n PRO 90 Cb 0.58 -0.75 -0.17 0.00 -0.04 0.00 0.00 33.50 33.12 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 -2.23 1.71 -0.26 0.54 3.76 -1.26 -5.07 115.29 112.48 1x4b s HIS 91 Ca 0.37 -0.75 -0.01 0.00 -0.15 0.00 0.00 55.06 54.51 1x4b s HIS 91 Cb -0.02 -1.27 0.04 0.00 1.11 0.00 0.00 32.58 32.44 1x4b s HIS 91 CO 0.27 -0.41 -0.05 -1.54 -0.85 0.00 0.00 174.74 172.16 1x4b s SER 92 N 0.97 4.48 0.04 1.40 1.04 -1.26 0.27 113.70 120.64 1x4b s SER 92 Ca -0.08 -1.07 0.02 0.00 0.48 0.00 0.00 55.95 55.29 1x4b s SER 92 Cb -0.15 -1.66 -0.02 0.00 0.10 0.00 0.00 66.02 64.29 1x4b s SER 92 CO -0.01 -0.18 -0.06 -0.63 0.98 0.00 0.00 173.24 173.34 1x4b s ILE 93 N 1.27 0.42 -0.44 -1.02 1.01 0.43 -4.75 121.20 118.11 1x4b s ILE 93 Ca -0.03 -1.03 0.00 0.00 0.00 0.00 0.00 60.65 59.59 1x4b s ILE 93 Cb -0.18 -0.51 0.00 0.00 0.01 0.00 0.00 42.46 41.78 1x4b s ILE 93 CO -0.04 -0.41 0.00 -0.67 0.00 0.00 0.00 174.94 173.82 1x4b n ASP 94 N 1.50 -5.23 0.00 3.58 -0.08 -1.26 -0.52 116.55 114.55 1x4b n ASP 94 Ca -0.23 0.10 0.00 0.00 -1.51 0.00 0.00 54.79 53.15 1x4b n ASP 94 Cb 0.55 -3.10 0.00 0.00 2.34 0.00 0.00 41.12 40.91 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 -0.18 0.84 3.61 0.27 0.00 -1.26 -5.02 105.19 103.45 1x4b n GLY 95 Ca -0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.26 2.08 -0.51 1.61 1.70 0.32 -5.09 118.95 118.81 1x4b s ARG 96 Ca 0.00 -1.64 -0.23 0.00 -0.47 0.00 0.00 55.73 53.39 1x4b s ARG 96 Cb 0.00 -1.98 0.04 0.00 -0.57 0.00 0.00 34.95 32.44 1x4b s ARG 96 CO 0.00 0.24 0.84 0.08 -1.08 0.00 0.00 175.30 175.38 1x4b s VAL 97 N -2.45 4.56 0.04 4.99 1.01 -1.26 -0.43 120.40 126.86 1x4b s VAL 97 Ca 0.33 0.21 -0.00 0.00 0.00 0.00 0.00 61.98 62.51 1x4b s VAL 97 Cb -0.03 -4.42 0.01 0.00 0.00 0.00 0.00 36.38 31.93 1x4b s VAL 97 CO 0.19 -0.93 0.06 1.33 0.00 0.00 0.00 175.10 175.75 1x4b n VAL 98 N 6.08 0.00 -3.19 2.92 0.24 0.14 -4.97 118.33 119.55 1x4b n VAL 98 Ca 0.01 -0.07 0.01 0.00 -2.04 0.00 0.00 64.34 62.25 1x4b n VAL 98 Cb 0.47 -1.57 -0.02 0.00 -1.47 0.00 0.00 33.84 31.25 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 -2.75 0.53 0.47 7.34 -1.05 0.88 -4.26 118.70 119.85 1x4b s GLU 99 Ca 0.04 0.89 -0.21 0.00 -0.15 0.00 0.00 54.97 55.54 1x4b s GLU 99 Cb -0.00 0.34 -0.09 0.00 -0.44 0.00 0.00 34.13 33.94 1x4b s GLU 99 CO 0.03 -0.65 1.04 -1.25 0.95 0.00 0.00 175.26 175.38 1x4b s PRO 100 N 2.80 3.86 0.22 -4.83 0.04 -1.26 -1.26 135.00 134.57 1x4b s PRO 100 Ca 0.19 1.39 -0.00 0.00 0.04 0.00 0.00 61.00 62.62 1x4b s PRO 100 Cb -0.15 -2.17 -0.04 0.00 0.04 0.00 0.00 34.50 32.18 1x4b s PRO 100 CO -0.20 -0.38 0.12 0.15 0.04 0.00 0.00 177.00 176.72 1x4b s LYS 101 N -3.11 1.29 -0.09 4.56 -0.14 0.19 -4.86 119.74 117.58 1x4b s LYS 101 Ca 0.66 -1.69 -0.04 0.00 -1.36 0.00 0.00 55.97 53.54 1x4b s LYS 101 Cb -0.17 0.04 -0.04 0.00 -1.68 0.00 0.00 37.83 35.98 1x4b s LYS 101 CO 0.21 -0.35 0.09 1.03 -0.76 0.00 0.00 175.35 175.58 1x4b s ARG 102 N -4.11 3.25 -0.39 1.68 0.52 -1.26 0.30 118.95 118.94 1x4b s ARG 102 Ca 0.38 -0.28 -0.02 0.00 -0.52 0.00 0.00 55.73 55.30 1x4b s ARG 102 Cb 0.07 -3.02 0.23 0.00 0.52 0.00 0.00 34.95 32.75 1x4b s ARG 102 CO 0.13 0.73 2.13 0.00 0.02 0.00 0.00 175.30 178.30 1x4b n ALA 103 N 1.85 5.48 -2.33 2.13 0.00 -1.12 -4.46 120.51 122.07 1x4b n ALA 103 Ca -0.18 -2.12 -0.08 0.00 0.00 0.00 0.00 53.44 51.06 1x4b n ALA 103 Cb 0.54 -1.54 -0.09 0.00 0.00 0.00 0.00 19.45 18.36 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 -2.67 0.18 -0.09 0.00 1.01 -1.26 -4.74 120.40 112.84 1x4b s VAL 104 Ca 0.40 -1.50 -0.05 0.00 0.00 0.00 0.00 61.98 60.82 1x4b s VAL 104 Cb 0.30 -1.38 0.02 0.00 0.00 0.00 0.00 36.38 35.32 1x4b s VAL 104 CO -0.04 -0.83 0.10 0.00 0.00 0.00 0.00 175.10 174.33 1x4b n ALA 105 N 0.13 -3.32 -3.71 5.51 0.00 -1.26 -5.05 120.51 112.81 1x4b n ALA 105 Ca -0.15 1.01 -0.23 0.00 0.00 0.00 0.00 53.44 54.07 1x4b n ALA 105 Cb 0.61 -1.97 -0.17 0.00 0.00 0.00 0.00 19.45 17.93 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 -0.84 1.07 0.89 0.00 3.52 -1.26 -4.94 118.95 117.39 1x4b s ARG 106 Ca -0.12 -0.13 -0.11 0.00 -0.13 0.00 0.00 55.73 55.24 1x4b s ARG 106 Cb 0.01 -1.15 0.12 0.00 -1.56 0.00 0.00 34.95 32.37 1x4b s ARG 106 CO 0.36 -0.17 1.09 -1.83 -0.81 0.00 0.00 175.30 173.93 1x4b s GLU 107 N 1.37 1.31 0.28 5.12 1.03 -1.26 -4.38 118.70 122.18 1x4b s GLU 107 Ca -0.03 0.93 -0.11 0.00 0.03 0.00 0.00 54.97 55.80 1x4b s GLU 107 Cb -0.13 -1.81 -0.07 0.00 -0.80 0.00 0.00 34.13 31.32 1x4b s GLU 107 CO -0.03 -2.23 0.63 -2.00 -1.33 0.00 0.00 175.26 170.29 1x4b s GLU 108 N -4.89 3.83 -0.19 -4.83 -6.30 -1.26 -5.02 118.70 100.04 1x4b s GLU 108 Ca 0.63 0.37 -0.17 0.00 -2.50 0.00 0.00 54.97 53.31 1x4b s GLU 108 Cb -0.18 -2.56 -0.07 0.00 0.00 0.00 0.00 34.13 31.32 1x4b s GLU 108 CO 0.57 0.22 -0.34 0.45 0.02 0.00 0.00 175.26 176.17 1x4b n SER 109 N -0.44 1.92 0.00 -1.70 2.88 -1.26 -5.13 113.62 109.89 1x4b n SER 109 Ca 0.01 0.33 0.00 0.00 -1.33 0.00 0.00 58.87 57.88 1x4b n SER 109 Cb 0.53 -0.75 0.00 0.00 -0.75 0.00 0.00 64.21 63.24 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 1.46 3.03 3.42 0.46 0.00 -1.26 -5.13 105.19 107.16 1x4b n GLY 110 Ca -0.21 -1.28 -0.27 0.00 0.00 0.00 0.00 46.02 44.25 1x4b n GLY 110 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4b s SER 111 N 0.00 3.42 -0.29 1.61 0.01 -1.26 -5.12 113.70 112.08 1x4b s SER 111 Ca 0.00 -0.83 0.06 0.00 1.31 0.00 0.00 55.95 56.49 1x4b s SER 111 Cb 0.00 -0.26 0.20 0.00 0.21 0.00 0.00 66.02 66.17 1x4b s SER 111 CO 0.00 0.14 0.58 -0.83 0.41 0.00 0.00 173.24 173.54 1x4b s GLY 112 N -2.52 -1.23 -0.29 3.44 0.00 -1.26 -5.12 107.32 100.34 1x4b s GLY 112 Ca 0.19 1.02 -0.29 0.00 0.00 0.00 0.00 44.72 45.64 1x4b s GLY 112 CO 0.09 3.65 1.35 2.56 0.00 0.00 0.00 173.10 180.74 1x4b s PRO 113 N 2.81 3.89 0.33 2.90 0.04 -1.26 -5.01 135.00 138.70 1x4b s PRO 113 Ca 0.10 1.29 0.07 0.00 0.04 0.00 0.00 61.00 62.51 1x4b s PRO 113 Cb -0.10 -3.90 -0.02 0.00 0.04 0.00 0.00 34.50 30.51 1x4b s PRO 113 CO -0.26 -1.15 0.32 0.45 0.04 0.00 0.00 177.00 176.39 1x4b s SER 114 N 3.01 5.44 -0.24 6.66 0.15 -1.26 -5.13 113.70 122.33 1x4b s SER 114 Ca 0.58 -0.41 -0.30 0.00 0.70 0.00 0.00 55.95 56.52 1x4b s SER 114 Cb -0.18 -1.07 0.17 0.00 -1.71 0.00 0.00 66.02 63.24 1x4b s SER 114 CO 0.24 -0.34 1.24 -0.44 1.20 0.00 0.00 173.24 175.15 1x4b s SER 115 N -4.01 -0.14 0.00 5.45 0.01 -1.26 -5.36 113.70 108.39 1x4b s SER 115 Ca 0.41 0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.81 1x4b s SER 115 Cb -0.07 0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.28 1x4b s SER 115 CO 0.27 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.39