#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x53 s SER 2 N 0.00 4.65 0.29 1.61 0.01 -1.26 -5.09 113.70 113.91 1x53 s SER 2 Ca 0.00 -2.75 -0.25 0.00 1.31 0.00 0.00 55.95 54.26 1x53 s SER 2 Cb 0.00 -1.69 -0.16 0.00 0.21 0.00 0.00 66.02 64.38 1x53 s SER 2 CO 0.00 -0.31 0.42 -1.20 0.41 0.00 0.00 173.24 172.56 1x53 n SER 3 N 3.51 -1.55 0.00 2.44 7.64 -1.26 -4.44 113.62 119.95 1x53 n SER 3 Ca 0.05 1.02 0.00 0.00 1.01 0.00 0.00 58.87 60.95 1x53 n SER 3 Cb 0.36 -0.96 0.00 0.00 -1.01 0.00 0.00 64.21 62.59 1x53 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x53 n GLY 4 N 2.04 0.42 3.51 0.23 0.00 -1.26 -5.06 105.19 105.05 1x53 n GLY 4 Ca 0.15 0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 1x53 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x53 s SER 5 N 0.00 6.51 0.04 1.61 0.01 -1.26 -4.98 113.70 115.63 1x53 s SER 5 Ca 0.00 -1.61 -0.38 0.00 1.31 0.00 0.00 55.95 55.27 1x53 s SER 5 Cb 0.00 -2.49 -0.19 0.00 0.21 0.00 0.00 66.02 63.56 1x53 s SER 5 CO 0.00 -1.33 1.12 -1.54 0.41 0.00 0.00 173.24 171.90 1x53 n SER 6 N 7.84 0.45 0.00 2.44 3.41 -1.26 -4.66 113.62 121.84 1x53 n SER 6 Ca 0.25 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 60.00 1x53 n SER 6 Cb 0.50 -1.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.44 1x53 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x53 n GLY 7 N 1.83 0.69 3.82 5.00 0.00 -1.26 -5.01 105.19 110.26 1x53 n GLY 7 Ca 0.19 -2.19 -0.37 0.00 0.00 0.00 0.00 46.02 43.66 1x53 n GLY 7 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x53 s ILE 8 N -1.08 5.31 0.40 -0.61 1.01 -1.26 -5.08 121.20 119.88 1x53 s ILE 8 Ca 0.00 0.48 -0.23 0.00 0.00 0.00 0.00 60.65 60.90 1x53 s ILE 8 Cb 0.00 -3.55 -0.11 0.00 0.01 0.00 0.00 42.46 38.81 1x53 s ILE 8 CO 0.00 0.54 0.95 -2.16 0.00 0.00 0.00 174.94 174.28 1x53 s PRO 9 N -0.61 4.33 0.30 2.79 0.04 -1.26 -4.98 135.00 135.61 1x53 s PRO 9 Ca 0.17 1.19 0.05 0.00 0.04 0.00 0.00 61.00 62.46 1x53 s PRO 9 Cb -0.14 -2.37 -0.03 0.00 0.04 0.00 0.00 34.50 32.00 1x53 s PRO 9 CO 0.06 0.05 0.24 0.95 0.04 0.00 0.00 177.00 178.35 1x53 s THR 10 N -2.00 0.02 0.25 1.26 -4.23 -1.26 -0.11 115.64 109.56 1x53 s THR 10 Ca 0.59 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.93 1x53 s THR 10 Cb -0.12 -2.50 0.01 0.00 1.34 0.00 0.00 72.50 71.23 1x53 s THR 10 CO 0.17 0.00 0.57 0.00 -0.54 0.00 0.00 174.62 174.82 1x53 s LYS 12 N -3.96 3.58 -0.67 0.00 2.20 -1.26 -1.85 119.74 117.79 1x53 s LYS 12 Ca 0.16 -0.02 0.03 0.00 -0.36 0.00 0.00 55.97 55.78 1x53 s LYS 12 Cb -0.03 -3.15 0.16 0.00 -1.51 0.00 0.00 37.83 33.31 1x53 s LYS 12 CO 0.06 0.71 0.46 0.42 -0.36 0.00 0.00 175.35 176.64 1x53 s ILE 13 N -1.16 3.11 -0.37 5.43 -1.09 0.98 -4.96 121.20 123.14 1x53 s ILE 13 Ca 0.22 -3.79 -0.20 0.00 -2.23 0.00 0.00 60.65 54.65 1x53 s ILE 13 Cb -0.13 -3.05 0.01 0.00 -1.58 0.00 0.00 42.46 37.71 1x53 s ILE 13 CO 0.11 -0.94 0.60 -0.89 -1.23 0.00 0.00 174.94 172.59 1x53 s THR 14 N -0.94 4.92 -0.06 2.92 2.01 -1.26 -2.70 115.64 120.52 1x53 s THR 14 Ca 0.22 0.38 0.05 0.00 0.31 0.00 0.00 61.69 62.65 1x53 s THR 14 Cb -0.13 -4.07 -0.01 0.00 0.01 0.00 0.00 72.50 68.30 1x53 s THR 14 CO -0.09 -0.35 -0.23 -0.76 -0.69 0.00 0.00 174.62 172.50 1x53 s LEU 15 N 2.63 2.02 -0.30 4.42 1.43 -0.65 -4.97 118.68 123.25 1x53 s LEU 15 Ca 0.22 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 52.85 1x53 s LEU 15 Cb -0.15 -1.26 0.09 0.00 0.03 0.00 0.00 46.19 44.90 1x53 s LEU 15 CO 0.15 0.20 0.05 -0.54 0.23 0.00 0.00 176.35 176.44 1x53 s LYS 16 N 0.00 1.11 0.07 1.70 1.02 -1.26 0.36 119.74 122.74 1x53 s LYS 16 Ca -0.07 -1.26 0.09 0.00 0.02 0.00 0.00 55.97 54.76 1x53 s LYS 16 Cb -0.14 -2.46 -0.03 0.00 -0.52 0.00 0.00 37.83 34.67 1x53 s LYS 16 CO 0.04 -0.88 -0.26 -2.00 -0.92 0.00 0.00 175.35 171.34 1x53 s GLU 17 N 1.38 1.73 -0.21 1.68 2.56 -1.11 -4.98 118.70 119.75 1x53 s GLU 17 Ca 0.06 -1.16 -0.12 0.00 0.00 0.00 0.00 54.97 53.75 1x53 s GLU 17 Cb -0.18 -1.98 -0.05 0.00 2.00 0.00 0.00 34.13 33.92 1x53 s GLU 17 CO -0.16 0.50 0.24 0.99 -0.56 0.00 0.00 175.26 176.28 1x53 s THR 18 N -0.88 5.31 -0.12 -1.70 2.01 -1.26 -1.41 115.64 117.60 1x53 s THR 18 Ca 0.13 0.39 -0.04 0.00 0.31 0.00 0.00 61.69 62.47 1x53 s THR 18 Cb -0.10 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 68.79 1x53 s THR 18 CO 0.03 0.34 0.05 -0.36 -0.69 0.00 0.00 174.62 174.00 1x53 s PHE 19 N 0.90 3.29 -0.02 4.92 0.40 0.88 -4.76 117.98 123.58 1x53 s PHE 19 Ca 0.12 0.24 -0.00 0.00 -0.60 0.00 0.00 56.93 56.69 1x53 s PHE 19 Cb -0.13 -1.90 0.02 0.00 0.51 0.00 0.00 43.02 41.52 1x53 s PHE 19 CO 0.04 0.45 1.88 1.28 0.70 0.00 0.00 175.22 179.58 1x53 n LEU 20 N 2.46 5.15 -4.02 -0.37 7.99 0.95 -0.00 117.00 129.16 1x53 n LEU 20 Ca -0.18 -2.37 -0.09 0.00 -0.01 0.00 0.00 56.01 53.35 1x53 n LEU 20 Cb 0.54 -1.05 -0.08 0.00 -0.11 0.00 0.00 43.42 42.72 1x53 n LEU 20 CO 0.31 0.96 -0.15 0.28 -1.51 0.00 0.00 177.39 177.28 1x53 s THR 21 N -0.18 0.10 0.48 -5.08 -1.32 -1.23 -4.84 115.64 103.57 1x53 s THR 21 Ca 0.02 -1.56 -0.20 0.00 -1.21 0.00 0.00 61.69 58.74 1x53 s THR 21 Cb 0.02 -1.80 -0.09 0.00 -1.51 0.00 0.00 72.50 69.12 1x53 s THR 21 CO 0.00 -0.47 1.00 -0.94 -2.21 0.00 0.00 174.62 172.00 1x53 s SER 22 N -2.97 6.55 0.09 8.08 1.04 -1.26 -1.83 113.70 123.40 1x53 s SER 22 Ca 0.16 1.79 -0.26 0.00 0.48 0.00 0.00 55.95 58.12 1x53 s SER 22 Cb 0.05 -2.54 -0.10 0.00 0.10 0.00 0.00 66.02 63.53 1x53 s SER 22 CO -0.02 -0.64 1.43 -0.65 0.98 0.00 0.00 173.24 174.34 1x53 h PRO 23 N 1.52 -0.41 -1.00 4.02 0.11 -1.86 -0.80 132.00 133.58 1x53 h PRO 23 Ca -0.49 0.03 0.42 0.00 0.11 0.00 0.00 66.00 66.07 1x53 h PRO 23 Cb 1.20 0.09 -0.18 0.00 0.11 0.00 0.00 31.00 32.22 1x53 h PRO 23 CO 0.60 -0.27 0.54 1.05 -0.21 0.00 0.00 178.00 179.71 1x53 h GLU 24 N -0.42 0.00 0.17 1.05 4.11 -1.94 0.48 114.58 118.04 1x53 h GLU 24 Ca 0.03 -0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.45 1x53 h GLU 24 Cb 0.51 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1x53 h GLU 24 CO -0.36 0.00 -0.08 1.49 0.07 0.00 0.00 179.01 180.12 1x53 h GLU 25 N 0.00 -0.23 -0.17 1.06 4.57 -1.53 -2.94 114.58 115.34 1x53 h GLU 25 Ca 0.85 0.02 0.05 0.00 -1.18 0.00 0.00 59.36 59.10 1x53 h GLU 25 Cb 2.25 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 30.88 1x53 h GLU 25 CO -0.77 -0.15 0.24 1.25 -1.18 0.00 0.00 179.01 178.40 1x53 h LEU 26 N -0.25 0.00 -2.86 1.64 5.85 -0.86 0.81 115.31 119.65 1x53 h LEU 26 Ca -0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1x53 h LEU 26 Cb 0.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.21 1x53 h LEU 26 CO 0.04 0.00 0.00 0.22 -0.34 0.00 0.00 178.44 178.36 1x53 h TYR 27 N 0.00 0.00 0.00 1.25 3.20 0.08 -2.85 116.97 118.65 1x53 h TYR 27 Ca 0.08 0.00 -0.25 0.00 3.14 0.00 0.00 58.73 61.70 1x53 h TYR 27 Cb 0.56 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.79 1x53 h TYR 27 CO 0.00 0.00 -1.50 0.54 -1.64 0.00 0.00 178.16 175.56 1x53 n ARG 28 N -3.03 0.55 0.18 1.82 1.74 0.27 -3.07 116.66 115.13 1x53 n ARG 28 Ca -0.03 0.46 0.12 0.00 -0.77 0.00 0.00 57.85 57.64 1x53 n ARG 28 Cb 0.08 -1.65 0.37 0.00 -1.02 0.00 0.00 32.46 30.24 1x53 n ARG 28 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1x53 h VAL 29 N -1.00 0.04 0.00 1.55 2.07 -1.50 1.85 116.25 119.26 1x53 h VAL 29 Ca -0.38 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.03 1x53 h VAL 29 Cb 1.26 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1x53 h VAL 29 CO -0.23 0.00 -1.95 0.49 0.02 0.00 0.00 177.57 175.90 1x53 n PHE 30 N -2.90 0.00 -1.32 1.57 3.72 -1.14 -4.14 117.46 113.26 1x53 n PHE 30 Ca 0.06 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.48 1x53 n PHE 30 Cb 0.94 -0.56 0.21 0.00 -0.94 0.00 0.00 39.48 39.12 1x53 n PHE 30 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1x53 n THR 31 N -2.30 2.35 -3.58 4.37 -2.24 0.53 -4.91 114.28 108.50 1x53 n THR 31 Ca -0.12 -2.56 -0.27 0.00 -2.27 0.00 0.00 64.05 58.83 1x53 n THR 31 Cb 0.68 -0.28 -0.16 0.00 -2.10 0.00 0.00 70.33 68.46 1x53 n THR 31 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1x53 s THR 32 N -3.10 -0.09 0.21 4.28 2.01 0.40 -4.35 115.64 115.00 1x53 s THR 32 Ca 0.41 -0.38 -0.15 0.00 0.31 0.00 0.00 61.69 61.88 1x53 s THR 32 Cb 0.37 -0.72 0.22 0.00 0.01 0.00 0.00 72.50 72.37 1x53 s THR 32 CO 0.01 -0.44 1.61 -0.61 -0.69 0.00 0.00 174.62 174.50 1x53 h GLN 33 N 8.41 -0.05 0.11 4.92 4.15 -1.86 -0.91 115.11 129.88 1x53 h GLN 33 Ca -0.17 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.26 1x53 h GLN 33 Cb 1.10 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.77 1x53 h GLN 33 CO 0.34 -0.04 -0.39 1.49 -1.93 0.00 0.00 178.83 178.31 1x53 h GLU 34 N -0.06 -0.55 -1.11 1.69 4.81 -1.90 0.14 114.58 117.59 1x53 h GLU 34 Ca 0.30 0.04 0.31 0.00 -0.13 0.00 0.00 59.36 59.88 1x53 h GLU 34 Cb 0.52 0.13 -0.06 0.00 0.63 0.00 0.00 28.75 29.96 1x53 h GLU 34 CO -0.69 -0.37 0.78 -0.07 -0.73 0.00 0.00 179.01 177.92 1x53 h LEU 35 N -0.57 0.13 -0.03 1.64 3.38 -1.71 0.60 115.31 118.75 1x53 h LEU 35 Ca -0.01 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1x53 h LEU 35 Cb 0.57 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 1x53 h LEU 35 CO -0.20 0.02 -0.03 0.58 0.09 0.00 0.00 178.44 178.90 1x53 h VAL 36 N 0.11 1.39 0.00 1.22 2.07 0.27 -2.81 116.25 118.49 1x53 h VAL 36 Ca 0.56 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1x53 h VAL 36 Cb 1.99 2.14 0.00 0.00 -1.52 0.00 0.00 31.29 33.90 1x53 h VAL 36 CO -0.09 0.32 0.00 0.00 0.02 0.00 0.00 177.57 177.82 1x53 n GLN 37 N -4.79 0.14 -0.09 1.57 6.02 0.16 -1.53 117.38 118.85 1x53 n GLN 37 Ca -0.08 0.14 -0.21 0.00 -0.01 0.00 0.00 57.00 56.84 1x53 n GLN 37 Cb 0.28 -1.50 -0.12 0.00 1.02 0.00 0.00 30.24 29.92 1x53 n GLN 37 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1x53 h ALA 38 N 2.35 0.25 -0.39 -1.58 0.00 -1.17 -2.70 119.26 116.02 1x53 h ALA 38 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 54.91 53.75 1x53 h ALA 38 Cb 0.04 0.67 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1x53 h ALA 38 CO 0.00 0.69 0.00 1.97 0.00 0.00 0.00 179.25 181.91 1x53 n PHE 39 N -4.37 0.51 0.00 0.00 1.16 -0.98 -3.86 117.46 109.92 1x53 n PHE 39 Ca -0.30 -0.26 0.00 0.00 -1.87 0.00 0.00 57.45 55.02 1x53 n PHE 39 Cb 0.70 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.57 1x53 n PHE 39 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 1x53 n THR 40 N 0.73 0.00 -4.35 1.97 -2.24 -0.58 -4.65 114.28 105.15 1x53 n THR 40 Ca 0.15 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.57 1x53 n THR 40 Cb 0.37 0.34 -0.07 0.00 -2.10 0.00 0.00 70.33 68.87 1x53 n THR 40 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1x53 n HIS 41 N -1.31 -1.35 -3.60 4.78 8.25 -1.02 -4.79 115.22 116.18 1x53 n HIS 41 Ca 0.00 0.69 -0.16 0.00 -0.26 0.00 0.00 57.72 57.99 1x53 n HIS 41 Cb 0.03 -2.58 -0.07 0.00 1.12 0.00 0.00 29.99 28.49 1x53 n HIS 41 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1x53 s ALA 42 N -3.71 -1.45 -0.88 -1.41 0.00 -1.26 -4.94 121.76 108.10 1x53 s ALA 42 Ca 0.45 0.97 -0.19 0.00 0.00 0.00 0.00 51.96 53.19 1x53 s ALA 42 Cb -0.26 0.05 -0.23 0.00 0.00 0.00 0.00 23.12 22.68 1x53 s ALA 42 CO 0.99 -0.35 2.35 -2.30 0.00 0.00 0.00 175.76 176.45 1x53 n PRO 43 N 0.98 0.28 -4.77 0.00 -0.02 -1.26 -4.57 135.00 125.64 1x53 n PRO 43 Ca -0.20 -0.25 -0.33 0.00 -2.02 0.00 0.00 63.50 60.70 1x53 n PRO 43 Cb 0.57 -2.14 -0.13 0.00 -0.02 0.00 0.00 33.50 31.78 1x53 n PRO 43 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1x53 s ALA 44 N 7.19 2.78 -0.34 3.55 0.00 -1.26 -3.74 121.76 129.93 1x53 s ALA 44 Ca 1.18 -0.93 0.03 0.00 0.00 0.00 0.00 51.96 52.23 1x53 s ALA 44 Cb -0.64 -1.11 0.10 0.00 0.00 0.00 0.00 23.12 21.48 1x53 s ALA 44 CO 0.38 0.51 0.08 0.99 0.00 0.00 0.00 175.76 177.71 1x53 s THR 45 N -0.57 1.93 -0.07 0.00 2.01 0.33 -4.84 115.64 114.44 1x53 s THR 45 Ca 0.08 -2.17 0.02 0.00 0.31 0.00 0.00 61.69 59.93 1x53 s THR 45 Cb -0.12 -2.43 -0.03 0.00 0.01 0.00 0.00 72.50 69.94 1x53 s THR 45 CO 0.02 -0.64 -0.10 -0.22 -0.69 0.00 0.00 174.62 172.99 1x53 s LEU 46 N 1.00 2.98 -0.32 4.42 0.20 -1.26 0.09 118.68 125.80 1x53 s LEU 46 Ca 0.11 -0.11 -0.01 0.00 0.69 0.00 0.00 54.13 54.81 1x53 s LEU 46 Cb -0.19 -1.64 0.10 0.00 -0.43 0.00 0.00 46.19 44.04 1x53 s LEU 46 CO -0.12 0.34 0.11 -1.61 -0.29 0.00 0.00 176.35 174.78 1x53 s GLU 47 N -0.66 0.74 -0.66 1.98 0.41 -0.98 -4.06 118.70 115.47 1x53 s GLU 47 Ca 0.10 -1.14 -0.26 0.00 -0.41 0.00 0.00 54.97 53.27 1x53 s GLU 47 Cb -0.11 -1.99 -0.07 0.00 -1.78 0.00 0.00 34.13 30.18 1x53 s GLU 47 CO 0.01 -1.00 2.19 0.00 -0.49 0.00 0.00 175.26 175.97 1x53 s ALA 48 N 1.53 1.56 -0.25 5.21 0.00 -1.26 -4.31 121.76 124.24 1x53 s ALA 48 Ca 0.10 -0.60 -0.29 0.00 0.00 0.00 0.00 51.96 51.18 1x53 s ALA 48 Cb -0.18 -4.42 0.17 0.00 0.00 0.00 0.00 23.12 18.69 1x53 s ALA 48 CO -0.23 -4.71 1.25 0.34 0.00 0.00 0.00 175.76 172.41 1x53 s ASP 49 N 10.13 -0.16 -0.49 0.00 2.15 -1.26 -5.01 116.67 122.02 1x53 s ASP 49 Ca 0.84 0.21 -0.26 0.00 0.43 0.00 0.00 52.55 53.76 1x53 s ASP 49 Cb -0.13 0.17 -0.07 0.00 -0.30 0.00 0.00 42.92 42.59 1x53 s ASP 49 CO 0.16 -0.13 2.42 0.54 -0.17 0.00 0.00 175.17 177.99 1x53 n ARG 50 N 0.85 1.06 0.00 4.34 1.74 -1.26 -0.13 116.66 123.25 1x53 n ARG 50 Ca -0.05 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 1x53 n ARG 50 Cb 0.58 -3.37 0.00 0.00 -1.02 0.00 0.00 32.46 28.65 1x53 n ARG 50 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1x53 n GLY 51 N 6.02 0.61 3.46 -0.13 0.00 0.56 -4.97 105.19 110.74 1x53 n GLY 51 Ca 0.38 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.11 1x53 n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x53 s GLY 52 N -1.29 1.52 -0.06 -0.02 0.00 0.81 -4.35 107.32 103.93 1x53 s GLY 52 Ca 0.00 -0.24 0.03 0.00 0.00 0.00 0.00 44.72 44.52 1x53 s GLY 52 CO 0.00 0.53 -0.15 0.54 0.00 0.00 0.00 173.10 174.01 1x53 s LYS 53 N -4.51 2.62 -0.13 2.90 3.01 -1.26 -0.92 119.74 121.44 1x53 s LYS 53 Ca 0.69 -0.72 0.01 0.00 -1.01 0.00 0.00 55.97 54.94 1x53 s LYS 53 Cb -0.24 -2.39 0.02 0.00 -1.01 0.00 0.00 37.83 34.21 1x53 s LYS 53 CO 0.64 0.55 -0.14 -0.59 0.51 0.00 0.00 175.35 176.32 1x53 s PHE 54 N -0.53 2.07 -0.04 3.18 -0.12 -1.17 -2.31 117.98 119.06 1x53 s PHE 54 Ca 0.07 -1.10 0.03 0.00 -0.05 0.00 0.00 56.93 55.89 1x53 s PHE 54 Cb -0.12 -1.52 0.00 0.00 -0.63 0.00 0.00 43.02 40.75 1x53 s PHE 54 CO 0.01 -0.60 -0.14 -1.58 -0.05 0.00 0.00 175.22 172.86 1x53 s HIS 55 N 1.35 1.46 0.22 3.49 2.46 0.11 -2.36 115.29 122.03 1x53 s HIS 55 Ca 0.01 -0.42 -0.10 0.00 0.47 0.00 0.00 55.06 55.02 1x53 s HIS 55 Cb -0.13 -1.01 -0.01 0.00 -0.13 0.00 0.00 32.58 31.30 1x53 s HIS 55 CO -0.08 -0.16 0.38 0.00 -2.47 0.00 0.00 174.74 172.41 1x53 s MET 56 N 0.17 1.41 -0.38 2.88 0.23 -0.71 0.12 119.30 123.03 1x53 s MET 56 Ca -0.05 -1.30 -0.01 0.00 -1.03 0.00 0.00 55.69 53.30 1x53 s MET 56 Cb -0.11 0.42 -0.01 0.00 -1.53 0.00 0.00 34.83 33.60 1x53 s MET 56 CO 0.02 -0.56 0.32 0.28 -2.03 0.00 0.00 175.02 173.05 1x53 n VAL 57 N -0.33 -2.85 -2.99 5.16 0.31 -1.26 -2.12 118.33 114.26 1x53 n VAL 57 Ca -0.02 -0.31 -0.19 0.00 -0.01 0.00 0.00 64.34 63.81 1x53 n VAL 57 Cb 0.63 -3.74 0.00 0.00 -0.91 0.00 0.00 33.84 29.81 1x53 n VAL 57 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1x53 n ASP 58 N -1.89 -4.03 -2.00 4.52 8.00 -1.26 -2.02 116.55 117.87 1x53 n ASP 58 Ca -0.06 -0.16 -0.05 0.00 0.71 0.00 0.00 54.79 55.22 1x53 n ASP 58 Cb 0.55 -3.36 0.03 0.00 -0.02 0.00 0.00 41.12 38.32 1x53 n ASP 58 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x53 n GLY 59 N -1.08 0.18 0.00 0.44 0.00 -1.22 -4.94 105.19 98.58 1x53 n GLY 59 Ca -0.07 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1x53 n GLY 59 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x53 n ASN 60 N -1.95 4.36 -3.90 1.61 5.03 -0.86 -4.81 115.26 114.74 1x53 n ASN 60 Ca -0.06 0.00 -0.28 0.00 0.87 0.00 0.00 54.58 55.11 1x53 n ASN 60 Cb 0.55 0.73 -0.17 0.00 -1.02 0.00 0.00 39.78 39.87 1x53 n ASN 60 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1x53 s VAL 61 N -1.79 1.12 0.42 2.41 1.01 -0.90 0.16 120.40 122.82 1x53 s VAL 61 Ca 0.00 -0.56 0.05 0.00 0.00 0.00 0.00 61.98 61.47 1x53 s VAL 61 Cb 0.00 -1.25 -0.06 0.00 0.00 0.00 0.00 36.38 35.08 1x53 s VAL 61 CO 0.00 0.20 0.03 -0.94 0.00 0.00 0.00 175.10 174.39 1x53 s SER 62 N 1.64 3.54 0.00 3.32 1.04 -1.11 -1.74 113.70 120.38 1x53 s SER 62 Ca 0.02 -1.46 0.00 0.00 0.48 0.00 0.00 55.95 54.99 1x53 s SER 62 Cb -0.15 -0.05 0.00 0.00 0.10 0.00 0.00 66.02 65.93 1x53 s SER 62 CO -0.08 -0.61 0.00 0.61 0.98 0.00 0.00 173.24 174.14 1x53 n GLY 63 N -0.97 -1.21 3.10 7.32 0.00 -0.99 -2.96 105.19 109.48 1x53 n GLY 63 Ca -0.08 -0.80 -0.13 0.00 0.00 0.00 0.00 46.02 45.01 1x53 n GLY 63 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1x53 s GLU 64 N -0.07 0.26 -0.10 1.61 -1.05 -1.23 -3.02 118.70 115.10 1x53 s GLU 64 Ca 0.00 0.35 -0.30 0.00 -0.15 0.00 0.00 54.97 54.88 1x53 s GLU 64 Cb 0.00 0.09 -0.02 0.00 -0.44 0.00 0.00 34.13 33.77 1x53 s GLU 64 CO 0.00 -0.05 1.05 -0.06 0.95 0.00 0.00 175.26 177.15 1x53 s PHE 65 N 0.29 3.43 -0.17 4.83 0.40 -0.10 -1.08 117.98 125.59 1x53 s PHE 65 Ca -0.01 1.50 0.05 0.00 -0.60 0.00 0.00 56.93 57.86 1x53 s PHE 65 Cb -0.03 -3.25 -0.13 0.00 0.51 0.00 0.00 43.02 40.12 1x53 s PHE 65 CO -0.01 -0.49 -0.10 0.25 0.70 0.00 0.00 175.22 175.57 1x53 n THR 66 N 4.61 1.02 -3.90 0.64 -2.24 0.12 0.21 114.28 114.73 1x53 n THR 66 Ca 0.09 -0.46 -0.11 0.00 -2.27 0.00 0.00 64.05 61.31 1x53 n THR 66 Cb 0.48 -0.99 -0.13 0.00 -2.10 0.00 0.00 70.33 67.59 1x53 n THR 66 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1x53 s ASP 67 N -5.46 0.06 -0.20 3.42 -1.08 -0.41 -4.76 116.67 108.25 1x53 s ASP 67 Ca -0.19 -0.14 -0.04 0.00 -0.52 0.00 0.00 52.55 51.66 1x53 s ASP 67 Cb 0.06 0.03 0.09 0.00 -1.46 0.00 0.00 42.92 41.63 1x53 s ASP 67 CO 0.47 -0.09 0.19 -0.76 0.52 0.00 0.00 175.17 175.50 1x53 s LEU 68 N -0.41 0.01 -0.07 -1.34 1.43 -1.26 -1.52 118.68 115.51 1x53 s LEU 68 Ca -0.05 -0.32 0.01 0.00 -1.03 0.00 0.00 54.13 52.74 1x53 s LEU 68 Cb -0.03 0.23 -0.03 0.00 0.03 0.00 0.00 46.19 46.39 1x53 s LEU 68 CO -0.00 -0.33 -0.09 -0.69 0.23 0.00 0.00 176.35 175.46 1x53 s VAL 69 N 2.28 3.50 -0.37 -1.59 1.01 -0.86 -5.04 120.40 119.33 1x53 s VAL 69 Ca 0.06 -0.55 -0.38 0.00 0.00 0.00 0.00 61.98 61.11 1x53 s VAL 69 Cb -0.16 -2.42 -0.14 0.00 0.00 0.00 0.00 36.38 33.66 1x53 s VAL 69 CO -0.11 0.59 2.10 -2.65 0.00 0.00 0.00 175.10 175.02 1x53 n PRO 70 N 2.36 0.86 -3.40 2.72 -0.02 -1.26 -2.19 135.00 134.06 1x53 n PRO 70 Ca -0.18 0.25 -0.17 0.00 -2.02 0.00 0.00 63.50 61.39 1x53 n PRO 70 Cb 0.53 -2.19 -0.05 0.00 -0.02 0.00 0.00 33.50 31.77 1x53 n PRO 70 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1x53 n GLU 71 N 7.54 -0.96 0.07 -0.52 1.02 -1.26 -4.67 120.64 121.86 1x53 n GLU 71 Ca 0.42 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.60 1x53 n GLU 71 Cb 0.15 -1.91 0.00 0.00 -0.02 0.00 0.00 31.44 29.66 1x53 n GLU 71 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1x53 n LYS 72 N -2.80 0.00 -3.57 3.49 5.02 -0.93 -4.82 118.16 114.55 1x53 n LYS 72 Ca -0.15 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.06 1x53 n LYS 72 Cb 0.35 -0.33 -0.02 0.00 -0.02 0.00 0.00 35.03 35.01 1x53 n LYS 72 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 1x53 s HIS 73 N -2.00 -0.34 -0.04 2.13 -3.43 -1.24 -2.14 115.29 108.24 1x53 s HIS 73 Ca 0.00 0.12 -0.01 0.00 -0.80 0.00 0.00 55.06 54.37 1x53 s HIS 73 Cb 0.00 0.58 0.03 0.00 -1.43 0.00 0.00 32.58 31.76 1x53 s HIS 73 CO 0.00 -0.75 0.03 0.42 -2.00 0.00 0.00 174.74 172.45 1x53 s ILE 74 N -3.40 0.01 -0.20 -5.38 1.01 0.48 -2.04 121.20 111.68 1x53 s ILE 74 Ca 0.06 0.27 -0.02 0.00 0.00 0.00 0.00 60.65 60.96 1x53 s ILE 74 Cb -0.02 -0.19 0.00 0.00 0.01 0.00 0.00 42.46 42.26 1x53 s ILE 74 CO -0.06 0.16 -0.10 -0.69 0.00 0.00 0.00 174.94 174.24 1x53 s VAL 75 N 1.63 2.89 0.25 2.92 1.01 -0.58 0.50 120.40 129.02 1x53 s VAL 75 Ca -0.02 -0.66 -0.12 0.00 0.00 0.00 0.00 61.98 61.19 1x53 s VAL 75 Cb -0.13 -2.28 -0.01 0.00 0.00 0.00 0.00 36.38 33.96 1x53 s VAL 75 CO -0.03 0.47 0.46 0.00 0.00 0.00 0.00 175.10 176.00 1x53 s MET 76 N 1.39 1.55 0.21 2.72 0.23 0.55 0.11 119.30 126.06 1x53 s MET 76 Ca 0.05 -1.29 -0.09 0.00 -1.03 0.00 0.00 55.69 53.33 1x53 s MET 76 Cb -0.14 0.46 -0.07 0.00 -1.53 0.00 0.00 34.83 33.55 1x53 s MET 76 CO -0.07 -0.64 0.52 0.15 -2.03 0.00 0.00 175.02 172.95 1x53 s LYS 77 N -3.98 3.78 0.01 3.16 1.02 -0.24 -0.13 119.74 123.36 1x53 s LYS 77 Ca 0.23 0.23 0.02 0.00 0.02 0.00 0.00 55.97 56.47 1x53 s LYS 77 Cb -0.00 -2.70 -0.01 0.00 -0.52 0.00 0.00 37.83 34.60 1x53 s LYS 77 CO 0.10 0.35 -0.07 -0.46 -0.92 0.00 0.00 175.35 174.35 1x53 s TRP 78 N -1.77 0.62 -0.11 3.18 -0.00 0.55 -3.57 118.94 117.84 1x53 s TRP 78 Ca 0.46 -0.22 -0.32 0.00 -0.00 0.00 0.00 56.10 56.01 1x53 s TRP 78 Cb -0.12 -0.39 0.12 0.00 -0.00 0.00 0.00 33.47 33.09 1x53 s TRP 78 CO 0.22 -0.03 1.07 -0.98 -0.00 0.00 0.00 176.95 177.23 1x53 s ARG 79 N -0.58 0.53 0.37 5.86 1.70 -1.15 -0.08 118.95 125.60 1x53 s ARG 79 Ca -0.01 -0.19 -0.01 0.00 -0.47 0.00 0.00 55.73 55.05 1x53 s ARG 79 Cb -0.05 0.25 -0.03 0.00 -0.57 0.00 0.00 34.95 34.54 1x53 s ARG 79 CO 0.00 -0.23 0.60 -0.06 -1.08 0.00 0.00 175.30 174.53 1x53 s PHE 80 N -2.68 3.51 -1.46 5.89 0.08 -1.26 -2.77 117.98 119.30 1x53 s PHE 80 Ca 0.07 0.48 0.15 0.00 0.12 0.00 0.00 56.93 57.75 1x53 s PHE 80 Cb -0.01 -2.00 0.77 0.00 -0.57 0.00 0.00 43.02 41.21 1x53 s PHE 80 CO -0.06 0.03 1.42 1.17 -0.10 0.00 0.00 175.22 177.68 1x53 n LYS 81 N -1.83 0.23 -0.00 0.44 0.00 0.41 -2.03 118.16 115.37 1x53 n LYS 81 Ca -0.03 0.14 0.04 0.00 0.00 0.00 0.00 58.31 58.45 1x53 n LYS 81 Cb 0.56 -1.50 -0.05 0.00 0.00 0.00 0.00 35.03 34.03 1x53 n LYS 81 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1x53 n SER 82 N -1.27 1.59 -4.59 3.14 2.88 -1.26 -5.04 113.62 109.07 1x53 n SER 82 Ca 0.07 -0.38 -0.35 0.00 -1.33 0.00 0.00 58.87 56.88 1x53 n SER 82 Cb 0.12 1.16 0.10 0.00 -0.75 0.00 0.00 64.21 64.84 1x53 n SER 82 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 1x53 n TRP 83 N -1.45 0.40 -1.09 0.66 7.02 -0.86 -4.92 117.44 117.20 1x53 n TRP 83 Ca 0.00 0.37 -0.35 0.00 -1.02 0.00 0.00 57.50 56.51 1x53 n TRP 83 Cb 0.16 -2.03 0.09 0.00 -2.42 0.00 0.00 31.31 27.11 1x53 n TRP 83 CO 0.00 0.00 0.00 -2.30 -2.02 0.00 0.00 177.69 173.37 1x53 n PRO 84 N -2.18 0.09 -2.08 -0.99 -0.02 -1.26 -4.91 135.00 123.65 1x53 n PRO 84 Ca 0.12 0.08 -0.40 0.00 -2.02 0.00 0.00 63.50 61.28 1x53 n PRO 84 Cb 0.50 -1.89 -0.01 0.00 -0.02 0.00 0.00 33.50 32.07 1x53 n PRO 84 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1x53 s GLU 85 N -3.19 4.19 -1.46 -0.52 -6.30 -1.26 -2.86 118.70 107.31 1x53 s GLU 85 Ca 0.63 2.21 -0.10 0.00 -2.50 0.00 0.00 54.97 55.21 1x53 s GLU 85 Cb -0.29 -2.94 0.05 0.00 0.00 0.00 0.00 34.13 30.94 1x53 s GLU 85 CO 0.61 -0.32 0.86 0.41 0.02 0.00 0.00 175.26 176.83 1x53 n GLY 86 N 0.72 -0.51 2.82 -1.50 0.00 -1.26 -4.96 105.19 100.50 1x53 n GLY 86 Ca 0.01 0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 1x53 n GLY 86 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1x53 s HIS 87 N -3.21 2.23 0.33 1.61 2.46 -1.13 -5.12 115.29 112.46 1x53 s HIS 87 Ca 0.52 -1.98 0.06 0.00 0.47 0.00 0.00 55.06 54.12 1x53 s HIS 87 Cb -0.25 -1.94 -0.07 0.00 -0.13 0.00 0.00 32.58 30.19 1x53 s HIS 87 CO 0.64 -0.87 0.00 -0.06 -2.47 0.00 0.00 174.74 171.99 1x53 s PHE 88 N 1.44 2.13 -0.07 3.88 0.40 -1.26 -4.75 117.98 119.75 1x53 s PHE 88 Ca 0.08 -0.78 0.05 0.00 -0.60 0.00 0.00 56.93 55.68 1x53 s PHE 88 Cb -0.18 -1.36 -0.00 0.00 0.51 0.00 0.00 43.02 41.98 1x53 s PHE 88 CO -0.18 0.24 -0.23 0.00 0.70 0.00 0.00 175.22 175.75 1x53 s ALA 89 N -3.02 2.02 -0.48 5.36 0.00 0.88 -4.81 121.76 121.71 1x53 s ALA 89 Ca 0.34 -0.93 -0.29 0.00 0.00 0.00 0.00 51.96 51.08 1x53 s ALA 89 Cb 0.07 -0.69 0.02 0.00 0.00 0.00 0.00 23.12 22.52 1x53 s ALA 89 CO 0.15 0.33 1.35 0.99 0.00 0.00 0.00 175.76 178.59 1x53 s THR 90 N 0.09 3.93 -0.15 0.00 2.01 -0.86 -0.33 115.64 120.34 1x53 s THR 90 Ca -0.10 0.90 -0.03 0.00 0.31 0.00 0.00 61.69 62.78 1x53 s THR 90 Cb -0.15 -4.37 -0.03 0.00 0.01 0.00 0.00 72.50 67.96 1x53 s THR 90 CO 0.05 -0.95 -0.05 -0.63 -0.69 0.00 0.00 174.62 172.35 1x53 s ILE 91 N 5.42 3.76 -0.31 1.82 1.09 0.81 -0.99 121.20 132.79 1x53 s ILE 91 Ca 0.55 -0.41 0.01 0.00 -1.10 0.00 0.00 60.65 59.71 1x53 s ILE 91 Cb -0.11 -2.63 0.10 0.00 -1.06 0.00 0.00 42.46 38.75 1x53 s ILE 91 CO 0.30 0.50 0.07 -0.89 -0.10 0.00 0.00 174.94 174.82 1x53 s THR 92 N 0.29 1.39 0.46 2.92 2.01 -0.00 -0.33 115.64 122.39 1x53 s THR 92 Ca -0.04 -1.68 -0.10 0.00 0.31 0.00 0.00 61.69 60.17 1x53 s THR 92 Cb -0.14 -2.01 -0.06 0.00 0.01 0.00 0.00 72.50 70.30 1x53 s THR 92 CO 0.03 -0.59 0.84 -0.76 -0.69 0.00 0.00 174.62 173.45 1x53 s LEU 93 N 1.36 3.68 -0.06 4.42 1.43 0.18 -2.58 118.68 127.12 1x53 s LEU 93 Ca 0.09 1.19 -0.04 0.00 -1.03 0.00 0.00 54.13 54.35 1x53 s LEU 93 Cb -0.18 -4.12 0.03 0.00 0.03 0.00 0.00 46.19 41.95 1x53 s LEU 93 CO -0.18 -0.52 0.15 -0.89 0.23 0.00 0.00 176.35 175.14 1x53 s THR 94 N -2.58 -0.03 -0.21 5.49 2.01 -1.18 -0.39 115.64 118.75 1x53 s THR 94 Ca 0.52 0.12 -0.07 0.00 0.31 0.00 0.00 61.69 62.58 1x53 s THR 94 Cb -0.10 -0.24 -0.03 0.00 0.01 0.00 0.00 72.50 72.14 1x53 s THR 94 CO 0.37 0.05 0.05 -0.36 -0.69 0.00 0.00 174.62 174.04 1x53 s PHE 95 N 0.84 3.14 0.13 4.92 0.40 -0.91 -2.05 117.98 124.44 1x53 s PHE 95 Ca -0.06 -0.20 0.09 0.00 -0.60 0.00 0.00 56.93 56.15 1x53 s PHE 95 Cb -0.08 -2.14 -0.04 0.00 0.51 0.00 0.00 43.02 41.27 1x53 s PHE 95 CO -0.04 -0.11 -0.16 0.42 0.70 0.00 0.00 175.22 176.03 1x53 s ILE 96 N 0.95 2.95 -0.19 0.64 1.01 -1.17 -4.72 121.20 120.67 1x53 s ILE 96 Ca 0.03 -1.51 -0.10 0.00 0.00 0.00 0.00 60.65 59.07 1x53 s ILE 96 Cb -0.14 -2.37 -0.05 0.00 0.01 0.00 0.00 42.46 39.91 1x53 s ILE 96 CO 0.03 0.07 0.15 -0.62 0.00 0.00 0.00 174.94 174.56 1x53 s ASP 97 N -2.26 6.25 -0.03 3.58 2.15 -1.26 -2.92 116.67 122.18 1x53 s ASP 97 Ca 0.19 0.28 0.05 0.00 0.43 0.00 0.00 52.55 53.50 1x53 s ASP 97 Cb -0.10 -2.10 0.07 0.00 -0.30 0.00 0.00 42.92 40.49 1x53 s ASP 97 CO 0.11 0.19 0.95 0.29 -0.17 0.00 0.00 175.17 176.54 1x53 n LYS 98 N 3.37 1.79 -2.44 4.34 4.76 -0.87 -4.99 118.16 124.13 1x53 n LYS 98 Ca -0.16 -1.53 -0.05 0.00 -2.87 0.00 0.00 58.31 53.69 1x53 n LYS 98 Cb 0.52 -0.99 0.03 0.00 -1.84 0.00 0.00 35.03 32.75 1x53 n LYS 98 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1x53 n ASN 99 N -0.59 -2.07 0.00 4.39 5.15 -1.26 -4.47 115.26 116.41 1x53 n ASN 99 Ca 0.04 -0.20 0.00 0.00 -0.60 0.00 0.00 54.58 53.82 1x53 n ASN 99 Cb 0.43 -1.97 0.00 0.00 -0.53 0.00 0.00 39.78 37.71 1x53 n ASN 99 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1x53 n GLY 100 N -1.06 2.40 3.51 8.20 0.00 -1.26 -5.12 105.19 111.86 1x53 n GLY 100 Ca -0.09 -0.23 -0.24 0.00 0.00 0.00 0.00 46.02 45.46 1x53 n GLY 100 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x53 s GLU 101 N 0.00 1.75 -0.09 1.61 2.02 -1.26 -3.57 118.70 119.17 1x53 s GLU 101 Ca 0.00 -1.95 -0.00 0.00 0.02 0.00 0.00 54.97 53.04 1x53 s GLU 101 Cb 0.00 -1.28 0.02 0.00 0.10 0.00 0.00 34.13 32.97 1x53 s GLU 101 CO 0.00 -0.05 -0.06 0.99 0.02 0.00 0.00 175.26 176.16 1x53 s THR 102 N -2.96 0.80 -0.54 3.63 2.01 1.00 -2.04 115.64 117.54 1x53 s THR 102 Ca 0.34 -0.18 -0.21 0.00 0.31 0.00 0.00 61.69 61.95 1x53 s THR 102 Cb 0.07 -0.84 0.06 0.00 0.01 0.00 0.00 72.50 71.80 1x53 s THR 102 CO 0.16 0.32 0.75 -0.70 -0.69 0.00 0.00 174.62 174.45 1x53 s GLU 103 N 1.51 3.18 -0.56 4.92 2.56 -1.15 -0.09 118.70 129.08 1x53 s GLU 103 Ca -0.00 -0.73 -0.24 0.00 0.00 0.00 0.00 54.97 54.00 1x53 s GLU 103 Cb -0.13 -4.11 0.04 0.00 2.00 0.00 0.00 34.13 31.93 1x53 s GLU 103 CO -0.05 -1.37 0.96 -1.17 -0.56 0.00 0.00 175.26 173.07 1x53 s LEU 104 N 3.13 4.08 -0.75 2.70 2.96 -0.50 -3.04 118.68 127.25 1x53 s LEU 104 Ca 0.20 -0.36 -0.17 0.00 -0.22 0.00 0.00 54.13 53.57 1x53 s LEU 104 Cb -0.17 -2.82 0.15 0.00 0.50 0.00 0.00 46.19 43.84 1x53 s LEU 104 CO 0.14 -1.25 0.83 0.00 -1.32 0.00 0.00 176.35 174.74 1x53 s MET 106 N 1.87 4.66 -0.32 0.00 1.75 0.16 -3.09 119.30 124.33 1x53 s MET 106 Ca 0.19 1.53 -0.01 0.00 -1.25 0.00 0.00 55.69 56.15 1x53 s MET 106 Cb -0.15 -3.35 0.11 0.00 2.84 0.00 0.00 34.83 34.28 1x53 s MET 106 CO -0.03 0.16 0.14 -2.00 -0.65 0.00 0.00 175.02 172.64 1x53 s GLU 107 N -0.06 0.61 -0.11 4.11 2.12 -1.06 -1.64 118.70 122.66 1x53 s GLU 107 Ca 0.48 -1.05 -0.01 0.00 0.36 0.00 0.00 54.97 54.75 1x53 s GLU 107 Cb -0.25 -1.71 -0.03 0.00 0.26 0.00 0.00 34.13 32.40 1x53 s GLU 107 CO 0.31 -1.04 -0.06 0.20 -0.54 0.00 0.00 175.26 174.13 1x53 s GLY 108 N 1.55 1.69 -0.09 -1.50 0.00 -1.10 -0.82 107.32 107.05 1x53 s GLY 108 Ca 0.11 -0.86 -0.01 0.00 0.00 0.00 0.00 44.72 43.96 1x53 s GLY 108 CO -0.23 -0.38 -0.02 1.09 0.00 0.00 0.00 173.10 173.57 1x53 s ARG 109 N -0.22 0.84 0.00 2.90 1.70 -0.17 -0.01 118.95 123.99 1x53 s ARG 109 Ca 0.03 -0.01 0.00 0.00 -0.47 0.00 0.00 55.73 55.28 1x53 s ARG 109 Cb -0.13 -1.18 0.00 0.00 -0.57 0.00 0.00 34.95 33.07 1x53 s ARG 109 CO 0.03 -0.31 0.00 0.41 -1.08 0.00 0.00 175.30 174.35 1x53 n GLY 110 N 5.09 0.85 3.66 3.88 0.00 -1.16 -2.03 105.19 115.48 1x53 n GLY 110 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 1x53 n GLY 110 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x53 s ILE 111 N -1.50 4.30 -0.12 -0.61 1.09 -0.77 -4.57 121.20 119.03 1x53 s ILE 111 Ca 0.00 1.57 -0.39 0.00 -1.10 0.00 0.00 60.65 60.74 1x53 s ILE 111 Cb 0.00 -4.02 -0.16 0.00 -1.06 0.00 0.00 42.46 37.22 1x53 s ILE 111 CO 0.00 -0.13 1.56 -2.65 -0.10 0.00 0.00 174.94 173.62 1x53 n PRO 112 N 6.52 1.14 -0.20 2.79 -0.02 -1.26 0.12 135.00 144.09 1x53 n PRO 112 Ca 0.14 0.41 -0.01 0.00 -2.02 0.00 0.00 63.50 62.02 1x53 n PRO 112 Cb 0.45 -2.08 0.07 0.00 -0.02 0.00 0.00 33.50 31.92 1x53 n PRO 112 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1x53 h ALA 113 N 6.00 0.46 -0.58 3.55 0.00 -0.75 0.71 119.26 128.65 1x53 h ALA 113 Ca -0.47 0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.69 1x53 h ALA 113 Cb 1.33 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 19.51 1x53 h ALA 113 CO 0.88 -0.42 0.39 -1.35 0.00 0.00 0.00 179.25 178.74 1x53 h PRO 114 N 0.03 0.70 -0.51 0.00 0.11 -1.89 -1.48 132.00 128.96 1x53 h PRO 114 Ca 0.30 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.37 1x53 h PRO 114 Cb 0.47 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.42 1x53 h PRO 114 CO -0.59 0.46 0.00 0.39 -0.21 0.00 0.00 178.00 178.05 1x53 n GLU 115 N -4.46 3.95 0.07 1.05 1.02 0.11 -4.64 120.64 117.74 1x53 n GLU 115 Ca 0.07 -2.94 -0.03 0.00 -0.02 0.00 0.00 57.16 54.24 1x53 n GLU 115 Cb 0.11 -1.99 -0.01 0.00 -0.02 0.00 0.00 31.44 29.52 1x53 n GLU 115 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1x53 h GLU 116 N 3.38 -0.18 -0.66 3.49 4.81 0.14 -2.37 114.58 123.21 1x53 h GLU 116 Ca 0.00 0.01 0.14 0.00 -0.13 0.00 0.00 59.36 59.38 1x53 h GLU 116 Cb 1.61 0.04 -0.12 0.00 0.63 0.00 0.00 28.75 30.92 1x53 h GLU 116 CO 0.32 -0.12 -0.06 1.49 -0.73 0.00 0.00 179.01 179.91 1x53 h GLU 117 N -0.25 0.06 -0.33 1.92 4.81 -1.82 -0.92 114.58 118.05 1x53 h GLU 117 Ca -0.02 -0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.28 1x53 h GLU 117 Cb 0.14 -0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.42 1x53 h GLU 117 CO 0.03 0.04 -0.24 -0.09 -0.73 0.00 0.00 179.01 178.02 1x53 h ARG 118 N 0.07 -0.20 0.00 1.92 2.43 -1.85 0.26 114.38 117.01 1x53 h ARG 118 Ca 0.34 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.52 1x53 h ARG 118 Cb 0.55 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1x53 h ARG 118 CO -0.61 -0.13 0.00 2.41 -1.51 0.00 0.00 179.97 180.12 1x53 n THR 119 N -5.39 0.00 -0.28 0.20 -1.04 -0.38 -0.51 114.28 106.89 1x53 n THR 119 Ca 0.01 1.47 0.23 0.00 -2.04 0.00 0.00 64.05 63.71 1x53 n THR 119 Cb 0.30 -2.21 0.55 0.00 -1.82 0.00 0.00 70.33 67.15 1x53 n THR 119 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 1x53 h ARG 120 N 0.00 0.33 0.00 -2.82 2.43 -1.36 1.27 114.38 114.22 1x53 h ARG 120 Ca 0.00 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.10 1x53 h ARG 120 Cb 0.00 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1x53 h ARG 120 CO 0.00 0.22 -0.26 1.96 -1.51 0.00 0.00 179.97 180.37 1x53 h GLN 121 N 0.34 0.00 0.00 0.20 1.08 0.53 -3.02 115.11 114.24 1x53 h GLN 121 Ca 0.53 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.73 1x53 h GLN 121 Cb 1.44 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.87 1x53 h GLN 121 CO -0.20 0.26 -0.06 0.41 -0.95 0.00 0.00 178.83 178.30 1x53 n GLY 122 N -0.73 4.31 0.02 3.46 0.00 0.20 -4.58 105.19 107.88 1x53 n GLY 122 Ca -0.02 -0.98 -0.02 0.00 0.00 0.00 0.00 46.02 45.00 1x53 n GLY 122 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1x53 n TRP 123 N -1.25 0.23 0.10 1.61 -0.00 0.38 -4.44 117.44 114.06 1x53 n TRP 123 Ca 0.14 0.10 -0.00 0.00 -0.00 0.00 0.00 57.50 57.73 1x53 n TRP 123 Cb 0.64 -0.36 0.29 0.00 -0.00 0.00 0.00 31.31 31.88 1x53 n TRP 123 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 177.69 179.65 1x53 h GLN 124 N -0.30 0.26 -0.24 5.87 7.50 -1.82 0.17 115.11 126.56 1x53 h GLN 124 Ca 0.00 -0.09 0.07 0.00 0.50 0.00 0.00 58.65 59.13 1x53 h GLN 124 Cb 0.18 -0.02 -0.01 0.00 0.05 0.00 0.00 27.48 27.68 1x53 h GLN 124 CO 0.00 0.52 0.59 0.00 -1.50 0.00 0.00 178.83 178.45 1x53 h ARG 125 N 0.24 0.00 0.00 1.46 2.47 -1.81 0.34 114.38 117.07 1x53 h ARG 125 Ca 0.04 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 1x53 h ARG 125 Cb 0.61 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.93 1x53 h ARG 125 CO 0.04 0.00 -0.90 0.66 0.56 0.00 0.00 179.97 180.33 1x53 n TYR 126 N -3.09 0.00 0.14 3.04 4.01 -1.01 -3.62 117.16 116.64 1x53 n TYR 126 Ca 0.04 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.72 1x53 n TYR 126 Cb 0.70 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.70 1x53 n TYR 126 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 1x53 h TYR 127 N 0.00 -0.34 0.00 -0.72 -1.99 -0.23 -3.28 116.97 110.41 1x53 h TYR 127 Ca 0.00 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1x53 h TYR 127 Cb 0.90 0.11 0.00 0.00 2.00 0.00 0.00 36.73 39.75 1x53 h TYR 127 CO 0.00 -0.21 -0.12 1.19 -0.00 0.00 0.00 178.16 179.02 1x53 n PHE 128 N -3.14 0.11 -0.40 4.88 3.72 -0.61 -3.55 117.46 118.47 1x53 n PHE 128 Ca -0.05 0.05 0.32 0.00 -0.05 0.00 0.00 57.45 57.73 1x53 n PHE 128 Cb 0.14 -0.26 0.52 0.00 -0.94 0.00 0.00 39.48 38.94 1x53 n PHE 128 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1x53 n GLU 129 N -2.74 -0.01 0.01 -1.08 -0.58 0.11 -0.11 120.64 116.23 1x53 n GLU 129 Ca -0.02 0.83 -0.01 0.00 -0.42 0.00 0.00 57.16 57.54 1x53 n GLU 129 Cb 0.06 -1.74 -0.00 0.00 -0.57 0.00 0.00 31.44 29.19 1x53 n GLU 129 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1x53 h GLY 130 N 0.00 -0.05 0.07 0.62 0.00 -1.62 -3.26 103.07 98.83 1x53 h GLY 130 Ca 0.63 0.02 0.19 0.00 0.00 0.00 0.00 47.33 48.18 1x53 h GLY 130 CO -0.19 -0.02 0.54 -2.22 0.00 0.00 0.00 176.54 174.66 1x53 h ILE 131 N -0.32 0.66 -0.11 2.60 2.04 -0.95 0.61 117.51 122.03 1x53 h ILE 131 Ca -0.00 -0.23 0.03 0.00 1.00 0.00 0.00 64.86 65.66 1x53 h ILE 131 Cb 0.04 -0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.05 1x53 h ILE 131 CO 0.01 0.12 0.18 0.11 0.00 0.00 0.00 178.15 178.56 1x53 h LYS 132 N 0.66 0.00 0.00 2.37 1.57 -0.66 0.64 116.57 121.15 1x53 h LYS 132 Ca 0.56 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 59.16 1x53 h LYS 132 Cb 0.91 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.20 1x53 h LYS 132 CO -0.41 0.00 -1.61 1.04 -0.57 0.00 0.00 179.45 177.90 1x53 n GLN 133 N -3.54 0.55 0.25 3.15 1.13 0.18 -2.21 117.38 116.90 1x53 n GLN 133 Ca -0.00 0.23 -0.17 0.00 -1.94 0.00 0.00 57.00 55.12 1x53 n GLN 133 Cb 0.28 -1.46 -0.09 0.00 0.11 0.00 0.00 30.24 29.08 1x53 n GLN 133 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 1x53 h THR 134 N -1.00 0.06 0.00 5.09 2.02 -0.47 -2.96 112.91 115.65 1x53 h THR 134 Ca -0.28 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 66.78 1x53 h THR 134 Cb 1.24 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 1x53 h THR 134 CO -0.17 0.00 -0.73 -0.26 0.37 0.00 0.00 175.52 174.73 1x53 h PHE 135 N -0.91 0.00 -1.25 3.16 -1.00 -1.12 -3.48 116.94 112.33 1x53 h PHE 135 Ca -0.04 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.74 1x53 h PHE 135 Cb 0.82 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.38 1x53 h PHE 135 CO -0.28 0.49 0.00 0.41 -1.61 0.00 0.00 178.31 177.32 1x53 n GLY 136 N 1.26 0.74 1.83 -1.45 0.00 -0.64 -4.98 105.19 101.96 1x53 n GLY 136 Ca -0.01 -0.52 -0.05 0.00 0.00 0.00 0.00 46.02 45.45 1x53 n GLY 136 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1x53 n TYR 137 N -1.61 2.22 -3.97 1.61 4.01 -0.94 -4.83 117.16 113.66 1x53 n TYR 137 Ca 0.00 -1.22 -0.25 0.00 -0.16 0.00 0.00 57.90 56.26 1x53 n TYR 137 Cb 0.44 -0.65 -0.04 0.00 -0.31 0.00 0.00 39.34 38.78 1x53 n TYR 137 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1x53 s GLY 138 N -1.26 2.37 0.35 2.72 0.00 -1.10 -0.03 107.32 110.37 1x53 s GLY 138 Ca 0.53 -1.58 0.08 0.00 0.00 0.00 0.00 44.72 43.76 1x53 s GLY 138 CO 0.12 -1.91 -0.06 0.00 0.00 0.00 0.00 173.10 171.25 1x53 s ALA 139 N -2.67 2.90 -0.24 3.20 0.00 -1.26 -4.69 121.76 119.00 1x53 s ALA 139 Ca 0.37 -2.12 -0.29 0.00 0.00 0.00 0.00 51.96 49.92 1x53 s ALA 139 Cb -0.00 0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.17 1x53 s ALA 139 CO 0.21 -0.01 1.48 0.45 0.00 0.00 0.00 175.76 177.90 1x53 s SER 140 N -3.61 6.53 0.00 0.00 0.15 -1.26 -4.95 113.70 110.57 1x53 s SER 140 Ca 0.33 1.51 0.00 0.00 0.70 0.00 0.00 55.95 58.49 1x53 s SER 140 Cb 0.05 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 1x53 s SER 140 CO 0.16 -1.15 0.00 0.61 1.20 0.00 0.00 173.24 174.06 1x53 n GLY 141 N 4.44 3.55 3.81 9.45 0.00 -1.26 -5.16 105.19 120.02 1x53 n GLY 141 Ca 0.17 -1.33 -0.33 0.00 0.00 0.00 0.00 46.02 44.53 1x53 n GLY 141 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x53 s PRO 142 N -1.11 4.00 -0.09 1.61 0.04 -1.26 -5.07 135.00 133.12 1x53 s PRO 142 Ca 0.00 1.22 0.03 0.00 0.04 0.00 0.00 61.00 62.29 1x53 s PRO 142 Cb 0.00 -2.14 -0.01 0.00 0.04 0.00 0.00 34.50 32.39 1x53 s PRO 142 CO 0.00 -0.24 -0.18 -1.12 0.04 0.00 0.00 177.00 175.50 1x53 s SER 143 N -2.16 3.67 0.08 6.66 0.01 -1.26 -5.08 113.70 115.63 1x53 s SER 143 Ca 0.64 -0.37 -0.37 0.00 1.31 0.00 0.00 55.95 57.16 1x53 s SER 143 Cb -0.12 -1.22 -0.17 0.00 0.21 0.00 0.00 66.02 64.71 1x53 s SER 143 CO 0.18 0.23 1.23 -1.54 0.41 0.00 0.00 173.24 173.74 1x53 n SER 144 N 3.10 1.13 0.00 2.44 3.41 -1.26 -5.37 113.62 117.07 1x53 n SER 144 Ca -0.18 1.13 0.00 0.00 -0.26 0.00 0.00 58.87 59.56 1x53 n SER 144 Cb 0.52 -1.12 0.00 0.00 -0.26 0.00 0.00 64.21 63.35 1x53 n SER 144 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49