#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 -0.23 0.06 1.61 0.15 -1.26 -5.19 113.70 108.85 1x4b s SER 2 Ca 0.00 0.06 -0.27 0.00 0.70 0.00 0.00 55.95 56.44 1x4b s SER 2 Cb 0.00 0.22 0.09 0.00 -1.71 0.00 0.00 66.02 64.62 1x4b s SER 2 CO 0.00 -0.34 1.00 -0.94 1.20 0.00 0.00 173.24 174.16 1x4b s SER 3 N -2.00 -0.22 0.00 5.45 1.04 -1.26 -5.18 113.70 111.53 1x4b s SER 3 Ca 0.06 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.27 1x4b s SER 3 Cb -0.01 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.50 1x4b s SER 3 CO -0.05 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.08 1x4b n GLY 4 N -0.38 5.31 3.64 7.32 0.00 -1.26 -5.19 105.19 114.64 1x4b n GLY 4 Ca -0.07 -1.45 -0.02 0.00 0.00 0.00 0.00 46.02 44.48 1x4b n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4b s SER 5 N 1.00 -0.01 0.30 1.61 0.01 -1.26 -5.19 113.70 110.16 1x4b s SER 5 Ca 0.00 0.00 0.04 0.00 1.31 0.00 0.00 55.95 57.30 1x4b s SER 5 Cb 0.00 0.01 -0.06 0.00 0.21 0.00 0.00 66.02 66.18 1x4b s SER 5 CO 0.00 -0.02 0.03 -0.44 0.41 0.00 0.00 173.24 173.22 1x4b s SER 6 N -1.92 2.32 -0.17 2.44 0.01 -1.26 -5.15 113.70 109.96 1x4b s SER 6 Ca 0.12 -1.32 -0.06 0.00 1.31 0.00 0.00 55.95 55.99 1x4b s SER 6 Cb -0.01 -0.08 0.08 0.00 0.21 0.00 0.00 66.02 66.22 1x4b s SER 6 CO -0.03 -0.55 0.37 -0.83 0.41 0.00 0.00 173.24 172.62 1x4b s GLY 7 N -3.44 -0.29 -0.16 3.44 0.00 -1.26 -5.15 107.32 100.46 1x4b s GLY 7 Ca 0.34 1.34 -0.33 0.00 0.00 0.00 0.00 44.72 46.06 1x4b s GLY 7 CO 0.14 2.21 1.14 -3.16 0.00 0.00 0.00 173.10 173.42 1x4b s MET 8 N 2.44 0.41 0.00 2.90 0.00 -1.26 -5.06 119.30 118.73 1x4b s MET 8 Ca -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 55.69 55.55 1x4b s MET 8 Cb -0.12 0.19 0.00 0.00 0.00 0.00 0.00 34.83 34.90 1x4b s MET 8 CO -0.11 -0.17 0.00 -0.85 0.00 0.00 0.00 175.02 173.88 1x4b n GLU 9 N -0.03 0.00 -1.39 3.16 0.28 -1.26 -5.15 120.64 116.24 1x4b n GLU 9 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.98 1x4b n GLU 9 Cb 0.59 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.46 1x4b n GLU 9 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1x4b n LYS 10 N 0.00 -3.92 -3.17 3.44 4.01 -1.26 -4.94 118.16 112.31 1x4b n LYS 10 Ca 0.00 2.95 -0.20 0.00 -0.51 0.00 0.00 58.31 60.55 1x4b n LYS 10 Cb 0.00 -3.40 -0.04 0.00 -0.51 0.00 0.00 35.03 31.08 1x4b n LYS 10 CO 0.00 0.00 0.00 -2.37 -1.11 0.00 0.00 177.40 173.92 1x4b n THR 11 N -1.26 -0.34 -3.66 -0.18 5.66 -1.26 -5.07 114.28 108.17 1x4b n THR 11 Ca 0.00 -4.27 -0.08 0.00 -3.05 0.00 0.00 64.05 56.65 1x4b n THR 11 Cb 0.09 -0.75 -0.08 0.00 -1.55 0.00 0.00 70.33 68.04 1x4b n THR 11 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1x4b s LEU 12 N -1.99 -0.65 0.03 1.09 1.43 -1.26 -5.08 118.68 112.25 1x4b s LEU 12 Ca 0.38 1.29 -0.01 0.00 -1.03 0.00 0.00 54.13 54.76 1x4b s LEU 12 Cb 0.29 1.99 -0.00 0.00 0.03 0.00 0.00 46.19 48.49 1x4b s LEU 12 CO -0.09 -0.22 -0.01 -0.62 0.23 0.00 0.00 176.35 175.63 1x4b n GLU 13 N 4.40 0.02 -2.48 1.70 1.02 -1.26 -5.12 120.64 118.91 1x4b n GLU 13 Ca -0.20 0.01 -0.04 0.00 -0.02 0.00 0.00 57.16 56.91 1x4b n GLU 13 Cb 0.57 -0.27 -0.03 0.00 -0.02 0.00 0.00 31.44 31.69 1x4b n GLU 13 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1x4b n THR 14 N -2.95-13.11 -1.44 2.62 -1.04 -1.26 -4.83 114.28 92.27 1x4b n THR 14 Ca -0.01 2.94 -0.45 0.00 -2.04 0.00 0.00 64.05 64.50 1x4b n THR 14 Cb 0.02 -6.37 -0.01 0.00 -1.82 0.00 0.00 70.33 62.15 1x4b n THR 14 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 1x4b n VAL 15 N 1.75 1.74 -1.55 12.58 0.24 -1.26 -4.92 118.33 126.90 1x4b n VAL 15 Ca -0.26 -0.50 -0.30 0.00 -2.04 0.00 0.00 64.34 61.24 1x4b n VAL 15 Cb 0.40 -0.34 0.09 0.00 -1.47 0.00 0.00 33.84 32.52 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 -1.26 2.05 0.05 7.34 0.04 -1.26 -5.09 135.00 136.87 1x4b s PRO 16 Ca 0.62 0.62 -0.01 0.00 0.04 0.00 0.00 61.00 62.27 1x4b s PRO 16 Cb -0.76 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 31.83 1x4b s PRO 16 CO 0.58 -1.64 -0.02 -0.51 0.04 0.00 0.00 177.00 175.45 1x4b s LEU 17 N -5.79 2.43 0.23 -3.56 1.43 -1.26 -5.17 118.68 106.99 1x4b s LEU 17 Ca 0.61 -0.96 -0.14 0.00 -1.03 0.00 0.00 54.13 52.62 1x4b s LEU 17 Cb -0.14 0.23 0.00 0.00 0.03 0.00 0.00 46.19 46.31 1x4b s LEU 17 CO 0.54 -0.59 0.47 -0.70 0.23 0.00 0.00 176.35 176.30 1x4b s GLU 18 N -3.79 1.48 -0.30 1.70 -6.30 -1.26 -5.13 118.70 105.09 1x4b s GLU 18 Ca 0.06 -1.16 -0.13 0.00 -2.50 0.00 0.00 54.97 51.24 1x4b s GLU 18 Cb 0.07 0.47 0.20 0.00 0.00 0.00 0.00 34.13 34.87 1x4b s GLU 18 CO -0.10 -0.61 1.16 1.03 0.02 0.00 0.00 175.26 176.76 1x4b s ARG 19 N -3.98 0.01 0.32 4.30 0.52 -1.26 -5.15 118.95 113.70 1x4b s ARG 19 Ca 0.19 -0.00 0.03 0.00 -0.52 0.00 0.00 55.73 55.42 1x4b s ARG 19 Cb -0.00 0.00 -0.05 0.00 0.52 0.00 0.00 34.95 35.41 1x4b s ARG 19 CO 0.06 -0.01 0.08 0.15 0.02 0.00 0.00 175.30 175.59 1x4b s LYS 20 N 1.77 1.62 0.10 3.54 1.02 -1.26 -5.08 119.74 121.44 1x4b s LYS 20 Ca 0.16 -1.90 0.00 0.00 0.02 0.00 0.00 55.97 54.24 1x4b s LYS 20 Cb 0.07 -0.65 0.00 0.00 -0.52 0.00 0.00 37.83 36.73 1x4b s LYS 20 CO -0.16 -0.26 0.00 1.17 -0.92 0.00 0.00 175.35 175.18 1x4b n LYS 21 N -0.65 0.00 -1.37 1.68 4.81 -1.26 -4.99 118.16 116.38 1x4b n LYS 21 Ca -0.02 0.00 -0.48 0.00 -0.87 0.00 0.00 58.31 56.94 1x4b n LYS 21 Cb 0.66 -0.31 -0.14 0.00 0.02 0.00 0.00 35.03 35.26 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 -3.20 0.00 0.00 1.64 3.00 -1.26 -4.71 116.66 112.13 1x4b n ARG 22 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.85 57.97 1x4b n ARG 22 Cb 0.14 -1.47 0.17 0.00 0.00 0.00 0.00 32.46 31.29 1x4b n ARG 22 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 1x4b n GLU 23 N 7.94 0.75 0.14 -0.14 0.00 -1.26 -3.71 120.64 124.36 1x4b n GLU 23 Ca 0.60 -0.54 0.06 0.00 0.00 0.00 0.00 57.16 57.29 1x4b n GLU 23 Cb 0.00 -1.49 0.05 0.00 0.00 0.00 0.00 31.44 30.00 1x4b n GLU 23 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 1x4b h LYS 24 N 1.31 0.00 0.00 3.44 3.11 -2.03 -3.33 116.57 119.07 1x4b h LYS 24 Ca 0.00 0.00 -0.06 0.00 -2.81 0.00 0.00 60.65 57.78 1x4b h LYS 24 Cb 0.59 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.81 1x4b h LYS 24 CO 0.00 0.24 -0.44 0.93 -2.81 0.00 0.00 179.45 177.37 1x4b h GLU 25 N 0.00 0.00 -1.79 1.90 5.08 -1.95 -3.33 114.58 114.49 1x4b h GLU 25 Ca -0.03 0.00 0.52 0.00 -1.00 0.00 0.00 59.36 58.85 1x4b h GLU 25 Cb 1.24 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.42 1x4b h GLU 25 CO 0.03 0.48 1.32 0.94 -1.00 0.00 0.00 179.01 180.79 1x4b n GLN 26 N -4.61 0.00 -0.01 2.33 7.27 -1.24 0.22 117.38 121.33 1x4b n GLN 26 Ca -0.12 1.01 -0.09 0.00 0.07 0.00 0.00 57.00 57.86 1x4b n GLN 26 Cb 0.35 -2.35 -0.03 0.00 2.41 0.00 0.00 30.24 30.62 1x4b n GLN 26 CO 0.00 0.00 0.00 0.74 0.07 0.00 0.00 177.06 177.87 1x4b h PHE 27 N 0.00 -0.68 -0.08 3.69 -1.00 -1.67 -3.07 116.94 114.12 1x4b h PHE 27 Ca 0.85 0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.66 1x4b h PHE 27 Cb 3.49 0.33 0.00 0.00 3.61 0.00 0.00 35.95 43.37 1x4b h PHE 27 CO 0.00 -0.33 0.00 2.89 -1.61 0.00 0.00 178.31 179.26 1x4b n ARG 28 N -5.38 1.40 -3.03 1.51 1.85 0.24 -4.96 116.66 108.29 1x4b n ARG 28 Ca -0.02 -1.29 -0.42 0.00 -1.00 0.00 0.00 57.85 55.12 1x4b n ARG 28 Cb 0.29 -1.10 -0.06 0.00 -1.05 0.00 0.00 32.46 30.54 1x4b n ARG 28 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 1x4b s LYS 29 N -0.72 3.63 -0.09 2.89 2.20 0.58 -2.81 119.74 125.42 1x4b s LYS 29 Ca 0.08 0.08 -0.04 0.00 -0.36 0.00 0.00 55.97 55.73 1x4b s LYS 29 Cb 0.05 -3.84 -0.04 0.00 -1.51 0.00 0.00 37.83 32.49 1x4b s LYS 29 CO 0.06 -0.86 0.06 -0.51 -0.36 0.00 0.00 175.35 173.74 1x4b s LEU 30 N 2.95 3.93 -0.38 5.43 1.02 -0.39 -4.23 118.68 127.01 1x4b s LEU 30 Ca 0.28 0.27 -0.15 0.00 0.02 0.00 0.00 54.13 54.55 1x4b s LEU 30 Cb -0.14 -1.96 0.01 0.00 0.02 0.00 0.00 46.19 44.12 1x4b s LEU 30 CO 0.17 0.38 0.34 0.12 0.02 0.00 0.00 176.35 177.39 1x4b s PHE 31 N -0.97 3.21 0.08 0.29 2.19 0.16 0.12 117.98 123.07 1x4b s PHE 31 Ca 0.15 -0.32 -0.26 0.00 0.33 0.00 0.00 56.93 56.83 1x4b s PHE 31 Cb -0.12 -2.68 -0.06 0.00 -1.31 0.00 0.00 43.02 38.86 1x4b s PHE 31 CO 0.04 -0.54 0.79 0.42 1.83 0.00 0.00 175.22 177.76 1x4b s ILE 32 N 1.90 4.61 0.12 3.12 -1.09 0.46 0.65 121.20 130.97 1x4b s ILE 32 Ca 0.09 1.71 0.10 0.00 -2.23 0.00 0.00 60.65 60.31 1x4b s ILE 32 Cb -0.18 -4.15 -0.04 0.00 -1.58 0.00 0.00 42.46 36.52 1x4b s ILE 32 CO 0.12 0.40 -0.22 -0.83 -1.23 0.00 0.00 174.94 173.18 1x4b s GLY 33 N -0.33 1.65 -0.37 6.18 0.00 0.41 -1.33 107.32 113.52 1x4b s GLY 33 Ca 0.39 -1.40 -0.09 0.00 0.00 0.00 0.00 44.72 43.62 1x4b s GLY 33 CO 0.25 -1.38 0.35 0.61 0.00 0.00 0.00 173.10 172.93 1x4b n GLY 34 N 0.85 -2.54 0.79 0.20 0.00 0.30 -0.75 105.19 104.03 1x4b n GLY 34 Ca -0.17 0.92 0.09 0.00 0.00 0.00 0.00 46.02 46.87 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 0.11 2.67 0.00 0.99 4.77 0.12 -4.16 117.00 121.50 1x4b n LEU 35 Ca 0.07 -1.10 0.00 0.00 -0.03 0.00 0.00 56.01 54.95 1x4b n LEU 35 Cb 0.27 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1x4b n LEU 35 CO 0.46 0.49 0.00 -1.54 -1.33 0.00 0.00 177.39 175.47 1x4b n SER 36 N 1.08 -0.69 0.00 -1.43 3.41 -1.26 -1.76 113.62 112.97 1x4b n SER 36 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 1x4b n SER 36 Cb 0.48 -0.79 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 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 -2.13 0.00 -0.03 7.33 3.72 -1.26 -4.76 117.46 120.32 1x4b n PHE 37 Ca 0.00 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.34 1x4b n PHE 37 Cb 0.02 -0.31 -0.02 0.00 -0.94 0.00 0.00 39.48 38.24 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 0.32 -1.23 -1.08 1.02 -1.12 -4.67 120.64 111.88 1x4b n GLU 38 Ca 0.00 0.13 -0.34 0.00 -0.02 0.00 0.00 57.16 56.92 1x4b n GLU 38 Cb 0.00 -1.05 -0.12 0.00 -0.02 0.00 0.00 31.44 30.24 1x4b n GLU 38 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1x4b n THR 39 N -4.06 0.00 -0.51 2.62 -1.04 -0.72 -4.86 114.28 105.71 1x4b n THR 39 Ca -0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 1x4b n THR 39 Cb 0.32 -0.41 0.00 0.00 -1.82 0.00 0.00 70.33 68.42 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 6.14 0.00 0.06 12.58 -2.24 -1.26 -4.76 114.28 124.80 1x4b n THR 40 Ca 0.54 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 62.19 1x4b n THR 40 Cb 0.02 -1.81 -0.08 0.00 -2.10 0.00 0.00 70.33 66.37 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 -0.11 0.44 -0.78 5.08 -1.92 -2.25 114.58 115.04 1x4b h GLU 41 Ca 0.00 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1x4b h GLU 41 Cb 0.00 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1x4b h GLU 41 CO 0.00 0.10 -0.21 1.49 -1.00 0.00 0.00 179.01 179.39 1x4b h GLU 42 N -0.30 -0.57 -1.89 2.33 4.81 -1.95 0.73 114.58 117.74 1x4b h GLU 42 Ca -0.01 0.04 0.55 0.00 -0.13 0.00 0.00 59.36 59.81 1x4b h GLU 42 Cb 0.26 0.13 -0.08 0.00 0.63 0.00 0.00 28.75 29.69 1x4b h GLU 42 CO 0.02 -0.38 1.36 0.43 -0.73 0.00 0.00 179.01 179.71 1x4b n SER 43 N -3.93 0.00 -0.04 1.04 7.64 -1.25 0.13 113.62 117.22 1x4b n SER 43 Ca -0.07 0.95 -0.00 0.00 1.01 0.00 0.00 58.87 60.75 1x4b n SER 43 Cb 0.23 -0.47 -0.00 0.00 -1.01 0.00 0.00 64.21 62.96 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 -0.01 -0.88 -3.43 5.85 -1.10 -3.33 115.31 112.41 1x4b h LEU 44 Ca 0.90 0.00 0.18 0.00 0.84 0.00 0.00 57.88 59.80 1x4b h LEU 44 Cb 3.61 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 44.53 1x4b h LEU 44 CO -0.01 0.37 0.44 0.03 -0.34 0.00 0.00 178.44 178.93 1x4b h ARG 45 N -0.76 0.52 -1.28 1.25 3.08 0.23 0.68 114.38 118.10 1x4b h ARG 45 Ca -0.00 -0.03 0.37 0.00 0.07 0.00 0.00 59.98 60.39 1x4b h ARG 45 Cb 0.01 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 29.88 1x4b h ARG 45 CO 0.00 0.34 0.92 -0.97 -1.07 0.00 0.00 179.97 179.19 1x4b h ASN 46 N 0.54 0.02 0.06 7.04 -1.24 0.91 1.69 115.58 124.59 1x4b h ASN 46 Ca 0.52 0.00 -0.37 0.00 0.71 0.00 0.00 56.30 57.17 1x4b h ASN 46 Cb 0.86 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.88 1x4b h ASN 46 CO -0.44 0.00 -2.10 0.00 -1.29 0.00 0.00 177.43 173.60 1x4b n TYR 47 N -4.17 0.74 0.26 0.67 9.36 0.22 -4.16 117.16 120.07 1x4b n TYR 47 Ca 0.28 0.18 0.01 0.00 3.32 0.00 0.00 57.90 61.69 1x4b n TYR 47 Cb 1.33 -1.09 0.14 0.00 -0.63 0.00 0.00 39.34 39.09 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 -3.60 0.86 -0.10 2.98 4.01 0.32 -3.59 117.16 118.05 1x4b n TYR 48 Ca -0.38 -0.40 -0.11 0.00 -0.16 0.00 0.00 57.90 56.85 1x4b n TYR 48 Cb 0.97 -0.30 -0.15 0.00 -0.31 0.00 0.00 39.34 39.55 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 0.18 0.68 -0.03 -0.72 1.02 0.55 -3.49 120.64 118.83 1x4b n GLU 49 Ca 0.13 0.04 -0.01 0.00 -0.02 0.00 0.00 57.16 57.30 1x4b n GLU 49 Cb 0.67 -1.55 0.27 0.00 -0.02 0.00 0.00 31.44 30.82 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 0.59 0.04 3.49 3.07 -1.79 -2.78 115.11 117.73 1x4b h GLN 50 Ca -0.53 -0.12 -0.12 0.00 0.09 0.00 0.00 58.65 57.96 1x4b h GLN 50 Cb 2.19 -0.09 0.01 0.00 0.08 0.00 0.00 27.48 29.67 1x4b h GLN 50 CO 0.02 0.59 -0.51 -1.49 0.09 0.00 0.00 178.83 177.54 1x4b h TRP 51 N 0.56 0.44 -1.82 0.06 6.55 -1.78 -3.48 115.95 116.48 1x4b h TRP 51 Ca 0.12 -0.26 0.20 0.00 0.95 0.00 0.00 58.89 59.90 1x4b h TRP 51 Cb 0.32 -0.04 -0.17 0.00 -0.86 0.00 0.00 29.16 28.42 1x4b h TRP 51 CO 0.01 1.12 0.68 0.20 -1.05 0.00 0.00 178.44 179.40 1x4b s GLY 52 N -4.13 -0.36 -0.28 1.49 0.00 -1.05 -4.61 107.32 98.37 1x4b s GLY 52 Ca -0.15 1.27 -0.26 0.00 0.00 0.00 0.00 44.72 45.59 1x4b s GLY 52 CO 0.79 0.42 0.92 0.54 0.00 0.00 0.00 173.10 175.77 1x4b s LYS 53 N -2.72 4.09 -0.69 2.90 1.02 -1.26 -3.54 119.74 119.53 1x4b s LYS 53 Ca 0.08 0.93 -0.27 0.00 0.02 0.00 0.00 55.97 56.73 1x4b s LYS 53 Cb -0.01 -3.70 0.00 0.00 -0.52 0.00 0.00 37.83 33.61 1x4b s LYS 53 CO -0.06 -0.70 1.58 -0.51 -0.92 0.00 0.00 175.35 174.74 1x4b s LEU 54 N 3.17 3.23 0.59 3.17 1.43 -1.26 -2.35 118.68 126.67 1x4b s LEU 54 Ca 0.39 -0.12 0.31 0.00 -1.03 0.00 0.00 54.13 53.68 1x4b s LEU 54 Cb -0.14 -2.55 1.27 0.00 0.03 0.00 0.00 46.19 44.81 1x4b s LEU 54 CO 0.11 -2.12 1.60 0.71 0.23 0.00 0.00 176.35 176.89 1x4b h THR 55 N 6.51 0.18 -1.96 5.49 1.35 0.19 -3.38 112.91 121.28 1x4b h THR 55 Ca -0.24 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.63 1x4b h THR 55 Cb 1.10 0.28 -0.22 0.00 -1.73 0.00 0.00 68.15 67.58 1x4b h THR 55 CO 1.25 0.00 0.08 -0.62 -0.25 0.00 0.00 175.52 175.98 1x4b s ASP 56 N -4.32 -0.87 -0.06 5.36 2.15 -1.18 -5.02 116.67 112.74 1x4b s ASP 56 Ca -0.04 1.44 0.03 0.00 0.43 0.00 0.00 52.55 54.41 1x4b s ASP 56 Cb 0.17 1.38 0.01 0.00 -0.30 0.00 0.00 42.92 44.18 1x4b s ASP 56 CO 0.57 -0.23 -0.13 0.00 -0.17 0.00 0.00 175.17 175.21 1x4b s VAL 58 N 0.48 0.62 -0.22 0.00 1.01 -0.55 -4.95 120.40 116.78 1x4b s VAL 58 Ca -0.11 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.55 1x4b s VAL 58 Cb -0.14 -0.52 0.05 0.00 0.00 0.00 0.00 36.38 35.77 1x4b s VAL 58 CO 0.03 0.18 -0.10 0.54 0.00 0.00 0.00 175.10 175.75 1x4b s VAL 59 N -0.17 1.81 0.67 2.92 0.11 -1.26 0.31 120.40 124.79 1x4b s VAL 59 Ca 0.03 -1.24 -0.16 0.00 -2.93 0.00 0.00 61.98 57.67 1x4b s VAL 59 Cb -0.03 -1.92 0.01 0.00 -1.53 0.00 0.00 36.38 32.91 1x4b s VAL 59 CO -0.00 0.07 1.17 -0.04 -3.33 0.00 0.00 175.10 172.97 1x4b s MET 60 N 1.30 2.58 0.00 1.54 -1.94 -0.05 -4.94 119.30 117.79 1x4b s MET 60 Ca -0.04 1.64 -0.00 0.00 -1.71 0.00 0.00 55.69 55.58 1x4b s MET 60 Cb -0.18 -1.90 -0.00 0.00 2.01 0.00 0.00 34.83 34.76 1x4b s MET 60 CO -0.07 -1.47 -0.00 1.03 -0.01 0.00 0.00 175.02 174.50 1x4b s ARG 61 N -3.83 0.09 -0.23 2.03 0.52 -1.26 -1.88 118.95 114.39 1x4b s ARG 61 Ca 0.72 -0.15 -0.43 0.00 -0.52 0.00 0.00 55.73 55.35 1x4b s ARG 61 Cb -0.26 0.03 -0.20 0.00 0.52 0.00 0.00 34.95 35.04 1x4b s ARG 61 CO 0.41 -0.01 1.32 -3.47 0.02 0.00 0.00 175.30 173.57 1x4b n ASP 62 N 2.69 0.61 0.14 0.23 -0.08 -1.23 -4.64 116.55 114.26 1x4b n ASP 62 Ca -0.15 1.17 0.13 0.00 -1.51 0.00 0.00 54.79 54.43 1x4b n ASP 62 Cb 0.59 -0.91 0.45 0.00 2.34 0.00 0.00 41.12 43.58 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 4.00 0.00 0.00 -0.67 0.13 -1.97 1.25 132.00 134.74 1x4b h PRO 63 Ca -0.48 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.29 1x4b h PRO 63 Cb 1.40 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.47 1x4b h PRO 63 CO 0.81 0.00 -2.31 0.00 -0.23 0.00 0.00 178.00 176.27 1x4b n ALA 64 N -1.84 1.49 0.07 -0.56 0.00 -1.26 -4.51 120.51 113.90 1x4b n ALA 64 Ca 0.04 -0.96 -0.09 0.00 0.00 0.00 0.00 53.44 52.42 1x4b n ALA 64 Cb 0.35 0.05 -0.11 0.00 0.00 0.00 0.00 19.45 19.73 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 -0.29 0.10 -5.73 0.00 0.02 -1.93 -3.47 113.55 102.24 1x4b h SER 65 Ca -0.54 -0.10 -0.38 0.00 -0.84 0.00 0.00 61.79 59.93 1x4b h SER 65 Cb 1.70 -0.03 0.14 0.00 0.14 0.00 0.00 62.40 64.35 1x4b h SER 65 CO -0.18 1.07 -0.69 0.29 -1.14 0.00 0.00 176.83 176.18 1x4b n LYS 66 N -3.41 -7.58 0.00 3.45 4.76 0.43 -4.91 118.16 110.90 1x4b n LYS 66 Ca -0.02 0.82 0.00 0.00 -2.87 0.00 0.00 58.31 56.24 1x4b n LYS 66 Cb 0.95 -5.83 0.00 0.00 -1.84 0.00 0.00 35.03 28.31 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 -4.76 0.00 -3.60 1.97 1.74 -1.24 -4.91 116.66 105.87 1x4b n ARG 67 Ca -0.05 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.87 1x4b n ARG 67 Cb 0.58 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.95 1x4b n ARG 67 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1x4b s SER 68 N 0.56 -0.69 -0.18 0.55 1.04 -1.26 -4.60 113.70 109.12 1x4b s SER 68 Ca 0.00 1.12 -0.04 0.00 0.48 0.00 0.00 55.95 57.51 1x4b s SER 68 Cb 0.00 1.07 -0.22 0.00 0.10 0.00 0.00 66.02 66.97 1x4b s SER 68 CO 0.00 -0.39 0.11 0.54 0.98 0.00 0.00 173.24 174.49 1x4b n ARG 69 N 1.99 0.71 0.00 4.02 1.74 -0.79 -3.55 116.66 120.78 1x4b n ARG 69 Ca -0.16 0.22 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 1x4b n ARG 69 Cb 0.56 -1.63 0.00 0.00 -1.02 0.00 0.00 32.46 30.37 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 2.08 1.45 3.51 -0.13 0.00 -1.26 -4.83 105.19 106.01 1x4b n GLY 70 Ca -0.38 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.63 0.00 1.61 -0.12 -1.26 0.11 117.98 115.69 1x4b s PHE 71 Ca 0.00 1.00 0.00 0.00 -0.05 0.00 0.00 56.93 57.88 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 -0.63 0.00 0.41 -0.05 0.00 0.00 175.22 174.95 1x4b n GLY 72 N 0.72 3.53 3.17 1.99 0.00 -0.44 -0.87 105.19 113.29 1x4b n GLY 72 Ca -0.18 -0.87 -0.17 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.32 1.13 -0.15 1.61 0.08 0.15 -0.40 117.98 118.08 1x4b s PHE 73 Ca 0.00 -0.52 -0.04 0.00 0.12 0.00 0.00 56.93 56.49 1x4b s PHE 73 Cb 0.00 -0.63 0.06 0.00 -0.57 0.00 0.00 43.02 41.88 1x4b s PHE 73 CO 0.00 0.04 0.10 0.14 -0.10 0.00 0.00 175.22 175.40 1x4b s VAL 74 N -1.65 -0.12 -0.37 -0.44 -7.23 0.12 -1.48 120.40 109.23 1x4b s VAL 74 Ca -0.00 -0.05 -0.14 0.00 -1.81 0.00 0.00 61.98 59.98 1x4b s VAL 74 Cb -0.08 -0.51 0.00 0.00 0.56 0.00 0.00 36.38 36.35 1x4b s VAL 74 CO 0.02 -0.19 0.26 -0.89 -0.31 0.00 0.00 175.10 173.99 1x4b s THR 75 N 2.17 5.25 0.78 5.32 2.01 -0.38 -1.26 115.64 129.53 1x4b s THR 75 Ca 0.03 -0.43 -0.12 0.00 0.31 0.00 0.00 61.69 61.48 1x4b s THR 75 Cb -0.15 -3.80 0.06 0.00 0.01 0.00 0.00 72.50 68.62 1x4b s THR 75 CO -0.08 -0.15 1.13 -0.36 -0.69 0.00 0.00 174.62 174.47 1x4b s PHE 76 N 1.70 3.04 -0.03 4.92 0.08 -1.12 0.19 117.98 126.75 1x4b s PHE 76 Ca 0.05 0.93 -0.12 0.00 0.12 0.00 0.00 56.93 57.91 1x4b s PHE 76 Cb -0.18 -3.27 -0.32 0.00 -0.57 0.00 0.00 43.02 38.68 1x4b s PHE 76 CO 0.10 -1.61 0.73 1.03 -0.10 0.00 0.00 175.22 175.38 1x4b h SER 77 N -0.95 0.67 -2.70 1.36 0.87 -1.83 -3.41 113.55 107.56 1x4b h SER 77 Ca -0.46 -0.93 -0.61 0.00 -1.23 0.00 0.00 61.79 58.55 1x4b h SER 77 Cb 1.29 -0.22 -0.13 0.00 -0.44 0.00 0.00 62.40 62.90 1x4b h SER 77 CO 0.64 1.78 -0.72 -0.55 -0.53 0.00 0.00 176.83 177.45 1x4b s SER 78 N -7.36 4.13 0.05 6.23 0.15 -1.26 -5.02 113.70 110.63 1x4b s SER 78 Ca -0.15 -0.70 0.27 0.00 0.70 0.00 0.00 55.95 56.08 1x4b s SER 78 Cb 0.05 -0.63 0.92 0.00 -1.71 0.00 0.00 66.02 64.65 1x4b s SER 78 CO 0.87 0.07 1.74 0.80 1.20 0.00 0.00 173.24 177.92 1x4b n MET 79 N -0.27 0.08 0.02 5.44 1.56 -1.26 -3.24 117.12 119.44 1x4b n MET 79 Ca -0.09 0.05 -0.18 0.00 -0.27 0.00 0.00 57.70 57.21 1x4b n MET 79 Cb 0.57 -1.58 -0.14 0.00 2.15 0.00 0.00 33.22 34.22 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 2.86 -0.06 0.25 -5.12 0.00 -1.98 -2.73 119.26 112.47 1x4b h ALA 80 Ca 0.00 -0.66 -0.01 0.00 0.00 0.00 0.00 54.91 54.24 1x4b h ALA 80 Cb 0.57 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1x4b h ALA 80 CO 0.00 0.29 -0.12 0.93 0.00 0.00 0.00 179.25 180.35 1x4b h GLU 81 N -0.54 -0.32 -0.21 0.00 5.08 -1.81 -1.68 114.58 115.09 1x4b h GLU 81 Ca -0.11 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.33 1x4b h GLU 81 Cb 1.48 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 30.74 1x4b h GLU 81 CO 0.11 -0.20 -0.15 -0.24 -1.00 0.00 0.00 179.01 177.53 1x4b h VAL 82 N -0.36 0.57 -0.92 3.13 3.04 -1.69 0.27 116.25 120.30 1x4b h VAL 82 Ca -0.03 0.00 0.25 0.00 -1.01 0.00 0.00 66.70 65.90 1x4b h VAL 82 Cb 0.27 0.57 -0.05 0.00 -2.01 0.00 0.00 31.29 30.07 1x4b h VAL 82 CO 0.06 0.00 0.64 -0.78 -1.01 0.00 0.00 177.57 176.48 1x4b h ASP 83 N -0.15 0.17 0.39 3.17 3.58 -1.27 -1.00 116.42 121.32 1x4b h ASP 83 Ca 0.12 0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.58 1x4b h ASP 83 Cb 0.33 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.38 1x4b h ASP 83 CO -0.30 0.06 -0.19 0.00 -2.88 0.00 0.00 179.24 175.93 1x4b h ALA 84 N 1.57 -0.91 -0.93 -0.78 0.00 0.48 -2.38 119.26 116.32 1x4b h ALA 84 Ca 0.46 -0.12 0.23 0.00 0.00 0.00 0.00 54.91 55.49 1x4b h ALA 84 Cb 1.54 0.20 -0.17 0.00 0.00 0.00 0.00 17.79 19.37 1x4b h ALA 84 CO -0.09 -0.87 -0.04 0.00 0.00 0.00 0.00 179.25 178.24 1x4b h ALA 85 N -1.64 0.95 -0.29 0.00 0.00 -0.51 0.42 119.26 118.18 1x4b h ALA 85 Ca -0.05 0.33 0.07 0.00 0.00 0.00 0.00 54.91 55.25 1x4b h ALA 85 Cb 0.40 0.59 -0.08 0.00 0.00 0.00 0.00 17.79 18.70 1x4b h ALA 85 CO 0.09 -0.49 -0.31 0.52 0.00 0.00 0.00 179.25 179.06 1x4b h MET 86 N 0.03 -0.28 -2.03 0.00 2.07 -1.16 -0.89 114.93 112.67 1x4b h MET 86 Ca 0.52 0.02 -0.58 0.00 -2.07 0.00 0.00 59.70 57.59 1x4b h MET 86 Cb 0.98 0.06 -0.20 0.00 -1.87 0.00 0.00 31.60 30.58 1x4b h MET 86 CO -0.88 -0.19 0.64 0.00 1.07 0.00 0.00 176.91 177.55 1x4b n ALA 87 N -2.92 6.49 -2.70 6.32 0.00 0.14 -4.12 120.51 123.72 1x4b n ALA 87 Ca -0.01 -3.37 0.00 0.00 0.00 0.00 0.00 53.44 50.07 1x4b n ALA 87 Cb 0.33 -2.14 0.05 0.00 0.00 0.00 0.00 19.45 17.68 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 0.57 2.65 -2.40 0.00 0.00 -0.34 -4.94 120.51 116.05 1x4b n ALA 88 Ca 0.51 -2.29 -0.26 0.00 0.00 0.00 0.00 53.44 51.40 1x4b n ALA 88 Cb 0.46 -0.81 -0.00 0.00 0.00 0.00 0.00 19.45 19.09 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 -2.24 3.44 0.80 0.00 0.52 -1.26 -4.47 118.95 115.74 1x4b s ARG 89 Ca 0.24 -0.06 -0.14 0.00 -0.52 0.00 0.00 55.73 55.26 1x4b s ARG 89 Cb 0.34 -2.48 0.19 0.00 0.52 0.00 0.00 34.95 33.51 1x4b s ARG 89 CO -0.08 -0.12 0.88 -0.35 0.02 0.00 0.00 175.30 175.66 1x4b n PRO 90 N -2.10 -1.74 -4.03 3.54 -0.04 -1.26 -5.13 135.00 124.23 1x4b n PRO 90 Ca -0.01 -1.39 -0.32 0.00 -0.04 0.00 0.00 63.50 61.75 1x4b n PRO 90 Cb 0.56 -1.09 -0.15 0.00 -0.04 0.00 0.00 33.50 32.77 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 -2.79 3.02 -0.22 0.54 3.76 -1.25 -5.08 115.29 113.28 1x4b s HIS 91 Ca 0.53 -2.16 -0.09 0.00 -0.15 0.00 0.00 55.06 53.19 1x4b s HIS 91 Cb -0.03 -1.83 -0.05 0.00 1.11 0.00 0.00 32.58 31.78 1x4b s HIS 91 CO 0.39 -0.85 0.12 -1.54 -0.85 0.00 0.00 174.74 172.01 1x4b s SER 92 N 1.18 5.90 -0.09 1.40 1.04 -1.25 -0.44 113.70 121.43 1x4b s SER 92 Ca -0.08 0.08 -0.01 0.00 0.48 0.00 0.00 55.95 56.43 1x4b s SER 92 Cb -0.20 -2.05 0.03 0.00 0.10 0.00 0.00 66.02 63.90 1x4b s SER 92 CO -0.05 0.09 -0.05 -0.63 0.98 0.00 0.00 173.24 173.58 1x4b s ILE 93 N 0.88 0.77 -1.12 -1.02 -1.09 0.50 -4.71 121.20 115.41 1x4b s ILE 93 Ca 0.06 -0.14 0.00 0.00 -2.23 0.00 0.00 60.65 58.35 1x4b s ILE 93 Cb -0.13 -0.84 0.00 0.00 -1.58 0.00 0.00 42.46 39.91 1x4b s ILE 93 CO 0.03 0.32 0.00 -0.67 -1.23 0.00 0.00 174.94 173.39 1x4b n ASP 94 N 4.95 -5.68 0.00 3.58 2.03 -1.26 0.36 116.55 120.53 1x4b n ASP 94 Ca -0.11 0.26 0.00 0.00 0.52 0.00 0.00 54.79 55.46 1x4b n ASP 94 Cb 0.50 -4.11 0.00 0.00 -0.72 0.00 0.00 41.12 36.80 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 0.19 0.83 3.71 0.27 0.00 -1.26 -5.07 105.19 103.85 1x4b n GLY 95 Ca -0.11 -0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 1x4b n GLY 95 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x4b s ARG 96 N -0.66 3.06 -1.30 1.61 1.81 0.16 -5.03 118.95 118.61 1x4b s ARG 96 Ca 0.00 -0.37 -0.15 0.00 -1.72 0.00 0.00 55.73 53.49 1x4b s ARG 96 Cb 0.00 -2.85 0.11 0.00 -0.45 0.00 0.00 34.95 31.76 1x4b s ARG 96 CO 0.00 0.70 1.75 0.28 -0.68 0.00 0.00 175.30 177.35 1x4b n VAL 97 N 2.15 4.03 -1.35 3.52 0.31 -1.26 -0.37 118.33 125.36 1x4b n VAL 97 Ca -0.19 -4.17 -0.30 0.00 -0.01 0.00 0.00 64.34 59.67 1x4b n VAL 97 Cb 0.54 -2.43 0.12 0.00 -0.91 0.00 0.00 33.84 31.15 1x4b n VAL 97 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1x4b s VAL 98 N 2.57 2.81 -0.22 2.52 -7.23 0.41 -4.95 120.40 116.32 1x4b s VAL 98 Ca 0.47 0.26 -0.03 0.00 -1.81 0.00 0.00 61.98 60.88 1x4b s VAL 98 Cb 0.04 -2.85 0.07 0.00 0.56 0.00 0.00 36.38 34.20 1x4b s VAL 98 CO 0.01 -0.34 0.05 -1.83 -0.31 0.00 0.00 175.10 172.68 1x4b s GLU 99 N -5.03 0.65 0.64 4.82 -1.05 0.07 -3.81 118.70 115.00 1x4b s GLU 99 Ca 0.62 -0.53 -0.13 0.00 -0.15 0.00 0.00 54.97 54.79 1x4b s GLU 99 Cb -0.16 -2.06 -0.02 0.00 -0.44 0.00 0.00 34.13 31.45 1x4b s GLU 99 CO 0.56 -0.71 1.05 -1.25 0.95 0.00 0.00 175.26 175.86 1x4b s PRO 100 N 1.83 3.15 0.05 -4.83 0.04 -1.26 -0.45 135.00 133.53 1x4b s PRO 100 Ca 0.01 1.05 -0.05 0.00 0.04 0.00 0.00 61.00 62.05 1x4b s PRO 100 Cb -0.17 -2.02 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 1x4b s PRO 100 CO -0.12 -0.93 0.09 0.15 0.04 0.00 0.00 177.00 176.23 1x4b s LYS 101 N -4.60 0.64 0.26 4.56 1.02 0.21 -4.85 119.74 116.98 1x4b s LYS 101 Ca 0.60 -0.89 0.02 0.00 0.02 0.00 0.00 55.97 55.72 1x4b s LYS 101 Cb -0.15 0.25 0.35 0.00 -0.52 0.00 0.00 37.83 37.76 1x4b s LYS 101 CO 0.46 -0.16 1.66 -0.09 -0.92 0.00 0.00 175.35 176.31 1x4b h ARG 102 N 3.38 0.43 0.00 1.68 2.43 -1.88 0.47 114.38 120.89 1x4b h ARG 102 Ca -0.33 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 1x4b h ARG 102 Cb 1.18 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 1x4b h ARG 102 CO 0.55 0.74 0.00 0.00 -1.51 0.00 0.00 179.97 179.74 1x4b n ALA 103 N -2.49 0.00 -2.90 2.80 0.00 -1.26 -3.83 120.51 112.83 1x4b n ALA 103 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.31 1x4b n ALA 103 Cb 0.47 -0.40 0.04 0.00 0.00 0.00 0.00 19.45 19.56 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 -3.06 0.00 -1.80 0.00 0.24 -1.26 -4.85 118.33 107.60 1x4b n VAL 104 Ca 0.00 -0.92 0.00 0.00 -2.04 0.00 0.00 64.34 61.38 1x4b n VAL 104 Cb 0.18 -0.84 0.00 0.00 -1.47 0.00 0.00 33.84 31.71 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 -2.73 -2.40 0.03 2.33 0.00 -1.26 -5.06 120.51 111.43 1x4b n ALA 105 Ca -0.07 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1x4b n ALA 105 Cb 0.29 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.82 1x4b n ALA 105 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1x4b n ARG 106 N 1.13 0.00 -1.44 0.00 0.00 -1.26 -5.08 116.66 110.01 1x4b n ARG 106 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1x4b n ARG 106 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1x4b n ARG 106 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1x4b n GLU 107 N -2.64 -4.07 -3.41 -0.14 -0.58 -1.26 -5.01 120.64 103.53 1x4b n GLU 107 Ca 0.00 2.96 -0.19 0.00 -0.42 0.00 0.00 57.16 59.51 1x4b n GLU 107 Cb 0.00 -3.28 -0.10 0.00 -0.57 0.00 0.00 31.44 27.49 1x4b n GLU 107 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1x4b s GLU 108 N -3.01 0.37 0.64 3.49 2.56 -1.26 -5.07 118.70 116.41 1x4b s GLU 108 Ca 0.00 -0.33 -0.08 0.00 0.00 0.00 0.00 54.97 54.56 1x4b s GLU 108 Cb 0.00 -0.74 0.01 0.00 2.00 0.00 0.00 34.13 35.40 1x4b s GLU 108 CO 0.00 -1.06 0.97 0.45 -0.56 0.00 0.00 175.26 175.06 1x4b s SER 109 N 2.15 5.48 0.00 -1.70 0.15 -1.26 -5.10 113.70 113.42 1x4b s SER 109 Ca 0.11 0.83 0.00 0.00 0.70 0.00 0.00 55.95 57.58 1x4b s SER 109 Cb -0.15 -1.73 0.00 0.00 -1.71 0.00 0.00 66.02 62.43 1x4b s SER 109 CO -0.28 -1.19 0.00 0.61 1.20 0.00 0.00 173.24 173.58 1x4b n GLY 110 N -2.74 5.92 3.12 9.45 0.00 -1.26 -5.18 105.19 114.50 1x4b n GLY 110 Ca 0.05 -1.59 -0.13 0.00 0.00 0.00 0.00 46.02 44.36 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 1.00 -0.22 0.00 1.61 1.04 -1.26 -5.15 113.70 110.73 1x4b s SER 111 Ca 0.00 0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.82 1x4b s SER 111 Cb 0.00 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.56 1x4b s SER 111 CO 0.00 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.70 1x4b n GLY 112 N 2.72 4.26 3.79 7.32 0.00 -1.26 -5.14 105.19 116.88 1x4b n GLY 112 Ca -0.14 -1.31 -0.29 0.00 0.00 0.00 0.00 46.02 44.28 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 -3.03 1.23 0.38 1.61 0.04 -1.26 -4.97 135.00 129.00 1x4b s PRO 113 Ca 0.00 0.32 0.00 0.00 0.04 0.00 0.00 61.00 61.36 1x4b s PRO 113 Cb 0.00 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.69 1x4b s PRO 113 CO 0.00 -2.14 0.00 0.45 0.04 0.00 0.00 177.00 175.35 1x4b n SER 114 N -3.73 -3.42 -3.65 6.66 2.88 -1.26 -5.17 113.62 105.93 1x4b n SER 114 Ca 0.07 0.81 -0.02 0.00 -1.33 0.00 0.00 58.87 58.39 1x4b n SER 114 Cb 0.59 3.27 -0.02 0.00 -0.75 0.00 0.00 64.21 67.29 1x4b n SER 114 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x4b s SER 115 N -2.00 -0.01 0.00 -3.46 0.15 -1.26 -5.37 113.70 101.75 1x4b s SER 115 Ca 0.00 0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.65 1x4b s SER 115 Cb 0.00 0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.32 1x4b s SER 115 CO 0.00 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.03