#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x53 h SER 2 N 0.00 0.04 -4.15 1.61 0.87 -2.10 -3.46 113.55 106.36 1x53 h SER 2 Ca 0.00 -0.90 -0.49 0.00 -1.23 0.00 0.00 61.79 59.17 1x53 h SER 2 Cb 0.00 -0.01 0.14 0.00 -0.44 0.00 0.00 62.40 62.09 1x53 h SER 2 CO 0.00 0.94 0.27 -0.94 -0.53 0.00 0.00 176.83 176.57 1x53 s SER 3 N -6.19 3.78 0.70 6.23 1.04 -1.26 -5.06 113.70 112.95 1x53 s SER 3 Ca -0.18 1.56 -0.01 0.00 0.48 0.00 0.00 55.95 57.79 1x53 s SER 3 Cb -0.02 -2.25 0.03 0.00 0.10 0.00 0.00 66.02 63.89 1x53 s SER 3 CO 0.70 -2.45 0.19 0.61 0.98 0.00 0.00 173.24 173.27 1x53 n GLY 4 N -1.20 -0.15 2.33 7.32 0.00 -1.26 -5.01 105.19 107.22 1x53 n GLY 4 Ca 0.07 -1.83 -0.31 0.00 0.00 0.00 0.00 46.02 43.95 1x53 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x53 n SER 5 N -3.06 6.23 -3.77 1.61 7.64 -1.26 -4.84 113.62 116.18 1x53 n SER 5 Ca 0.03 -3.77 -0.28 0.00 1.01 0.00 0.00 58.87 55.86 1x53 n SER 5 Cb 0.10 -0.68 -0.11 0.00 -1.01 0.00 0.00 64.21 62.50 1x53 n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x53 n SER 6 N -0.72 2.95 0.00 6.43 2.88 -1.26 -5.06 113.62 118.84 1x53 n SER 6 Ca 0.51 -3.21 0.00 0.00 -1.33 0.00 0.00 58.87 54.84 1x53 n SER 6 Cb 0.70 -0.73 0.00 0.00 -0.75 0.00 0.00 64.21 63.44 1x53 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x53 n GLY 7 N 1.77 -3.56 3.66 0.46 0.00 -1.26 -4.98 105.19 101.27 1x53 n GLY 7 Ca 0.23 -2.04 -0.35 0.00 0.00 0.00 0.00 46.02 43.86 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 -0.75 4.31 0.39 -0.61 1.01 -1.26 -5.03 121.20 119.26 1x53 s ILE 8 Ca 0.00 -0.24 -0.23 0.00 0.00 0.00 0.00 60.65 60.18 1x53 s ILE 8 Cb 0.00 -2.83 -0.10 0.00 0.01 0.00 0.00 42.46 39.54 1x53 s ILE 8 CO 0.00 0.58 0.98 -2.16 0.00 0.00 0.00 174.94 174.34 1x53 s PRO 9 N -0.61 4.30 0.32 2.79 0.04 -1.26 -4.97 135.00 135.60 1x53 s PRO 9 Ca 0.10 1.32 0.06 0.00 0.04 0.00 0.00 61.00 62.52 1x53 s PRO 9 Cb -0.12 -2.48 -0.03 0.00 0.04 0.00 0.00 34.50 31.91 1x53 s PRO 9 CO 0.02 0.01 0.25 0.95 0.04 0.00 0.00 177.00 178.28 1x53 s THR 10 N -1.83 0.02 0.29 1.26 -4.23 -1.26 -0.09 115.64 109.80 1x53 s THR 10 Ca 0.57 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 59.07 1x53 s THR 10 Cb -0.16 -2.49 0.01 0.00 1.34 0.00 0.00 72.50 71.19 1x53 s THR 10 CO 0.21 0.00 0.41 0.00 -0.54 0.00 0.00 174.62 174.70 1x53 s LYS 12 N -2.67 3.02 -0.41 0.00 2.20 -1.26 -2.06 119.74 118.56 1x53 s LYS 12 Ca 0.24 -0.57 0.03 0.00 -0.36 0.00 0.00 55.97 55.32 1x53 s LYS 12 Cb -0.01 -2.65 0.11 0.00 -1.51 0.00 0.00 37.83 33.77 1x53 s LYS 12 CO 0.17 0.51 0.13 0.42 -0.36 0.00 0.00 175.35 176.23 1x53 s ILE 13 N -0.40 2.47 -0.31 5.43 -1.09 0.76 -4.97 121.20 123.08 1x53 s ILE 13 Ca 0.06 -2.65 -0.06 0.00 -2.23 0.00 0.00 60.65 55.76 1x53 s ILE 13 Cb -0.12 -2.78 0.02 0.00 -1.58 0.00 0.00 42.46 38.00 1x53 s ILE 13 CO 0.02 -0.67 0.08 -0.89 -1.23 0.00 0.00 174.94 172.25 1x53 s THR 14 N 0.52 3.84 -0.16 2.92 2.01 -1.26 -0.86 115.64 122.64 1x53 s THR 14 Ca 0.13 -0.89 0.02 0.00 0.31 0.00 0.00 61.69 61.26 1x53 s THR 14 Cb -0.21 -3.06 0.02 0.00 0.01 0.00 0.00 72.50 69.25 1x53 s THR 14 CO -0.05 -0.02 -0.20 -0.76 -0.69 0.00 0.00 174.62 172.89 1x53 s LEU 15 N 1.45 2.09 -0.29 4.42 1.43 -0.64 -4.96 118.68 122.18 1x53 s LEU 15 Ca 0.01 -0.62 0.02 0.00 -1.03 0.00 0.00 54.13 52.51 1x53 s LEU 15 Cb -0.18 -1.44 0.06 0.00 0.03 0.00 0.00 46.19 44.66 1x53 s LEU 15 CO 0.02 0.03 -0.05 -0.54 0.23 0.00 0.00 176.35 176.04 1x53 s LYS 16 N 1.09 2.18 0.10 1.70 1.02 -1.26 0.10 119.74 124.67 1x53 s LYS 16 Ca -0.00 -1.41 0.04 0.00 0.02 0.00 0.00 55.97 54.62 1x53 s LYS 16 Cb -0.14 -3.03 -0.03 0.00 -0.52 0.00 0.00 37.83 34.10 1x53 s LYS 16 CO -0.08 -0.65 -0.12 -2.00 -0.92 0.00 0.00 175.35 171.58 1x53 s GLU 17 N 1.11 0.89 0.08 1.68 2.12 -0.99 -4.98 118.70 118.61 1x53 s GLU 17 Ca -0.05 -1.14 -0.01 0.00 0.36 0.00 0.00 54.97 54.13 1x53 s GLU 17 Cb -0.20 -0.68 -0.04 0.00 0.26 0.00 0.00 34.13 33.47 1x53 s GLU 17 CO -0.04 0.12 0.25 0.99 -0.54 0.00 0.00 175.26 176.04 1x53 s THR 18 N -2.15 5.33 0.01 -1.70 2.01 -1.26 -0.11 115.64 117.77 1x53 s THR 18 Ca 0.05 -0.28 0.07 0.00 0.31 0.00 0.00 61.69 61.84 1x53 s THR 18 Cb -0.05 -3.63 -0.02 0.00 0.01 0.00 0.00 72.50 68.81 1x53 s THR 18 CO 0.01 0.11 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.47 1x53 s PHE 19 N -1.55 2.01 -0.01 4.92 0.40 0.31 -4.83 117.98 119.23 1x53 s PHE 19 Ca 0.37 -0.38 -0.00 0.00 -0.60 0.00 0.00 56.93 56.31 1x53 s PHE 19 Cb -0.13 -1.25 0.01 0.00 0.51 0.00 0.00 43.02 42.16 1x53 s PHE 19 CO 0.27 0.03 1.96 1.28 0.70 0.00 0.00 175.22 179.46 1x53 n LEU 20 N 2.19 5.29 -4.06 -0.37 7.99 -0.40 0.27 117.00 127.91 1x53 n LEU 20 Ca -0.16 -2.40 -0.10 0.00 -0.01 0.00 0.00 56.01 53.34 1x53 n LEU 20 Cb 0.52 -1.10 -0.07 0.00 -0.11 0.00 0.00 43.42 42.66 1x53 n LEU 20 CO 0.23 1.00 -0.03 0.28 -1.51 0.00 0.00 177.39 177.36 1x53 s THR 21 N -0.07 0.02 0.45 -5.08 -1.32 -1.21 -4.81 115.64 103.61 1x53 s THR 21 Ca 0.01 -1.63 -0.16 0.00 -1.21 0.00 0.00 61.69 58.70 1x53 s THR 21 Cb 0.01 -2.21 -0.08 0.00 -1.51 0.00 0.00 72.50 68.71 1x53 s THR 21 CO -0.00 -0.09 0.90 -0.44 -2.21 0.00 0.00 174.62 172.77 1x53 s SER 22 N -3.06 6.69 0.12 8.08 0.01 -1.26 -2.02 113.70 122.26 1x53 s SER 22 Ca 0.27 1.46 -0.33 0.00 1.31 0.00 0.00 55.95 58.66 1x53 s SER 22 Cb 0.03 -2.46 -0.12 0.00 0.21 0.00 0.00 66.02 63.68 1x53 s SER 22 CO 0.08 -0.45 1.53 -0.65 0.41 0.00 0.00 173.24 174.16 1x53 h PRO 23 N 1.39 -0.51 -1.02 12.44 0.11 -1.85 -0.56 132.00 141.99 1x53 h PRO 23 Ca -0.47 0.03 0.32 0.00 0.11 0.00 0.00 66.00 65.99 1x53 h PRO 23 Cb 1.18 0.12 -0.15 0.00 0.11 0.00 0.00 31.00 32.26 1x53 h PRO 23 CO 0.62 -0.34 0.59 1.05 -0.21 0.00 0.00 178.00 179.71 1x53 h GLU 24 N -0.53 0.31 0.12 1.05 4.11 -1.94 0.42 114.58 118.13 1x53 h GLU 24 Ca 0.04 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.44 1x53 h GLU 24 Cb 0.64 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1x53 h GLU 24 CO -0.46 0.21 -0.06 1.49 0.07 0.00 0.00 179.01 180.26 1x53 h GLU 25 N 0.32 -0.16 -0.04 1.06 4.57 -1.49 -2.80 114.58 116.04 1x53 h GLU 25 Ca 0.73 0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.93 1x53 h GLU 25 Cb 1.71 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 30.33 1x53 h GLU 25 CO -0.58 -0.11 0.14 1.25 -1.18 0.00 0.00 179.01 178.53 1x53 h LEU 26 N -0.16 0.00 -2.53 1.64 5.85 -0.96 0.29 115.31 119.44 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 0.13 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 1x53 h LEU 26 CO 0.03 0.00 -0.01 0.22 -0.34 0.00 0.00 178.44 178.34 1x53 h TYR 27 N 0.00 0.00 0.00 1.25 3.20 0.09 -3.00 116.97 118.52 1x53 h TYR 27 Ca 0.02 0.00 -0.27 0.00 3.14 0.00 0.00 58.73 61.62 1x53 h TYR 27 Cb 0.29 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.52 1x53 h TYR 27 CO 0.00 0.01 -1.53 0.54 -1.64 0.00 0.00 178.16 175.54 1x53 n ARG 28 N -3.17 0.56 0.09 1.82 1.74 0.09 -3.01 116.66 114.78 1x53 n ARG 28 Ca -0.02 0.49 0.16 0.00 -0.77 0.00 0.00 57.85 57.71 1x53 n ARG 28 Cb 0.14 -1.67 0.42 0.00 -1.02 0.00 0.00 32.46 30.33 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 0.06 0.00 1.55 2.07 -1.52 1.93 116.25 119.35 1x53 h VAL 29 Ca -0.41 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.06 1x53 h VAL 29 Cb 1.32 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1x53 h VAL 29 CO -0.25 0.00 -1.87 0.49 0.02 0.00 0.00 177.57 175.96 1x53 n PHE 30 N -3.04 0.00 -1.16 1.57 3.01 -1.16 -4.12 117.46 112.55 1x53 n PHE 30 Ca 0.09 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.61 1x53 n PHE 30 Cb 1.03 -0.48 0.22 0.00 -0.01 0.00 0.00 39.48 40.24 1x53 n PHE 30 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1x53 n THR 31 N -2.21 2.28 -3.65 4.37 -2.24 0.55 -4.91 114.28 108.48 1x53 n THR 31 Ca -0.08 -2.26 -0.27 0.00 -2.27 0.00 0.00 64.05 59.18 1x53 n THR 31 Cb 0.57 -0.27 -0.16 0.00 -2.10 0.00 0.00 70.33 68.36 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 -2.98 0.16 0.15 4.28 2.01 0.45 -4.40 115.64 115.33 1x53 s THR 32 Ca 0.41 -0.45 -0.28 0.00 0.31 0.00 0.00 61.69 61.67 1x53 s THR 32 Cb 0.35 -0.84 -0.02 0.00 0.01 0.00 0.00 72.50 72.00 1x53 s THR 32 CO 0.04 -0.35 1.57 -0.61 -0.69 0.00 0.00 174.62 174.58 1x53 h GLN 33 N 8.34 -0.30 -0.11 4.92 4.15 -1.86 -1.37 115.11 128.88 1x53 h GLN 33 Ca -0.16 0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.30 1x53 h GLN 33 Cb 1.11 0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.84 1x53 h GLN 33 CO 0.34 -0.20 -0.20 1.49 -1.93 0.00 0.00 178.83 178.33 1x53 h GLU 34 N -0.31 -0.16 -1.22 1.69 4.57 -1.90 0.97 114.58 118.21 1x53 h GLU 34 Ca 0.14 0.01 0.41 0.00 -1.18 0.00 0.00 59.36 58.74 1x53 h GLU 34 Cb 0.58 0.04 -0.14 0.00 -0.16 0.00 0.00 28.75 29.07 1x53 h GLU 34 CO -0.62 -0.11 0.76 -0.07 -1.18 0.00 0.00 179.01 177.79 1x53 h LEU 35 N -0.17 0.30 -0.20 1.64 3.38 -1.80 0.63 115.31 119.10 1x53 h LEU 35 Ca 0.02 0.16 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 1x53 h LEU 35 Cb 0.23 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1x53 h LEU 35 CO -0.19 -0.20 -0.05 0.58 0.09 0.00 0.00 178.44 178.66 1x53 h VAL 36 N 0.12 1.29 0.00 1.22 2.07 0.23 -2.48 116.25 118.70 1x53 h VAL 36 Ca 0.80 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1x53 h VAL 36 Cb 2.35 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 33.68 1x53 h VAL 36 CO -0.49 0.32 0.00 0.00 0.02 0.00 0.00 177.57 177.42 1x53 n GLN 37 N -4.62 0.17 -0.07 1.57 6.02 0.22 -0.69 117.38 119.98 1x53 n GLN 37 Ca -0.05 0.13 -0.22 0.00 -0.01 0.00 0.00 57.00 56.85 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 n ALA 38 N -1.17 0.87 1.08 -1.58 0.00 -0.89 -2.75 120.51 116.07 1x53 n ALA 38 Ca 0.05 -0.59 0.12 0.00 0.00 0.00 0.00 53.44 53.02 1x53 n ALA 38 Cb 0.05 -0.54 0.28 0.00 0.00 0.00 0.00 19.45 19.24 1x53 n ALA 38 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1x53 n PHE 39 N -4.06 0.00 -0.02 0.00 1.16 -0.96 -3.88 117.46 109.70 1x53 n PHE 39 Ca -0.34 0.00 0.07 0.00 -1.87 0.00 0.00 57.45 55.30 1x53 n PHE 39 Cb 0.83 -0.20 -0.14 0.00 -1.61 0.00 0.00 39.48 38.36 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 -1.23 0.16 -4.13 1.97 -2.24 0.13 -4.72 114.28 104.22 1x53 n THR 40 Ca 0.08 -0.45 -0.30 0.00 -2.27 0.00 0.00 64.05 61.11 1x53 n THR 40 Cb 0.34 -0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.52 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 -2.19 -1.53 -3.55 4.78 8.25 -1.11 -4.75 115.22 115.12 1x53 n HIS 41 Ca -0.07 0.71 -0.14 0.00 -0.26 0.00 0.00 57.72 57.97 1x53 n HIS 41 Cb 0.55 -3.26 -0.06 0.00 1.12 0.00 0.00 29.99 28.34 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 -3.94 -1.85 -0.87 -1.41 0.00 -1.26 -4.92 121.76 107.52 1x53 s ALA 42 Ca 0.16 1.44 -0.20 0.00 0.00 0.00 0.00 51.96 53.36 1x53 s ALA 42 Cb -0.09 -0.33 -0.22 0.00 0.00 0.00 0.00 23.12 22.47 1x53 s ALA 42 CO 0.93 -0.35 2.38 -2.30 0.00 0.00 0.00 175.76 176.42 1x53 n PRO 43 N 0.80 0.29 -4.76 0.00 -0.02 -1.26 -4.55 135.00 125.50 1x53 n PRO 43 Ca -0.15 -0.22 -0.33 0.00 -2.02 0.00 0.00 63.50 60.78 1x53 n PRO 43 Cb 0.58 -2.15 -0.13 0.00 -0.02 0.00 0.00 33.50 31.77 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 7.51 2.76 -0.36 3.55 0.00 -1.26 -3.79 121.76 130.18 1x53 s ALA 44 Ca 1.18 -0.92 0.04 0.00 0.00 0.00 0.00 51.96 52.25 1x53 s ALA 44 Cb -0.66 -1.13 0.10 0.00 0.00 0.00 0.00 23.12 21.43 1x53 s ALA 44 CO 0.38 0.47 0.08 0.99 0.00 0.00 0.00 175.76 177.68 1x53 s THR 45 N -0.44 2.24 -0.10 0.00 2.01 0.39 -4.83 115.64 114.91 1x53 s THR 45 Ca 0.06 -2.41 -0.01 0.00 0.31 0.00 0.00 61.69 59.64 1x53 s THR 45 Cb -0.12 -2.65 -0.03 0.00 0.01 0.00 0.00 72.50 69.71 1x53 s THR 45 CO 0.02 -0.63 -0.06 -0.22 -0.69 0.00 0.00 174.62 173.05 1x53 s LEU 46 N 0.81 3.20 -0.35 4.42 0.20 -1.26 0.18 118.68 125.88 1x53 s LEU 46 Ca 0.12 -0.05 0.01 0.00 0.69 0.00 0.00 54.13 54.90 1x53 s LEU 46 Cb -0.20 -1.72 0.11 0.00 -0.43 0.00 0.00 46.19 43.95 1x53 s LEU 46 CO -0.08 0.30 0.12 -1.61 -0.29 0.00 0.00 176.35 174.79 1x53 s GLU 47 N -0.43 1.08 -0.66 1.98 0.41 -0.78 -4.08 118.70 116.24 1x53 s GLU 47 Ca 0.06 -1.54 -0.26 0.00 -0.41 0.00 0.00 54.97 52.82 1x53 s GLU 47 Cb -0.12 -2.44 -0.07 0.00 -1.78 0.00 0.00 34.13 29.72 1x53 s GLU 47 CO 0.02 -1.02 2.20 0.00 -0.49 0.00 0.00 175.26 175.98 1x53 s ALA 48 N 1.09 1.55 -0.25 5.21 0.00 -1.26 -4.32 121.76 123.77 1x53 s ALA 48 Ca 0.12 -0.58 -0.28 0.00 0.00 0.00 0.00 51.96 51.21 1x53 s ALA 48 Cb -0.20 -4.42 0.17 0.00 0.00 0.00 0.00 23.12 18.67 1x53 s ALA 48 CO -0.14 -4.73 1.25 -0.51 0.00 0.00 0.00 175.76 171.63 1x53 s ASP 49 N 10.22 -0.16 -0.59 0.00 1.01 -1.26 -5.01 116.67 120.88 1x53 s ASP 49 Ca 0.84 0.21 -0.26 0.00 0.71 0.00 0.00 52.55 54.06 1x53 s ASP 49 Cb -0.13 0.18 -0.09 0.00 1.01 0.00 0.00 42.92 43.88 1x53 s ASP 49 CO 0.16 -0.12 2.42 0.54 0.21 0.00 0.00 175.17 178.38 1x53 n ARG 50 N 0.88 0.88 0.00 8.23 1.74 -1.26 -0.17 116.66 126.96 1x53 n ARG 50 Ca -0.05 -0.25 0.00 0.00 -0.77 0.00 0.00 57.85 56.77 1x53 n ARG 50 Cb 0.58 -3.49 0.00 0.00 -1.02 0.00 0.00 32.46 28.53 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 6.25 0.88 3.62 -0.13 0.00 0.41 -4.96 105.19 111.25 1x53 n GLY 51 Ca 0.40 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.61 1.62 0.01 -0.02 0.00 0.76 -4.30 107.32 103.78 1x53 s GLY 52 Ca 0.00 0.15 0.01 0.00 0.00 0.00 0.00 44.72 44.88 1x53 s GLY 52 CO 0.00 0.70 0.02 0.54 0.00 0.00 0.00 173.10 174.36 1x53 s LYS 53 N -4.66 2.83 -0.15 2.90 3.01 -1.26 -0.16 119.74 122.25 1x53 s LYS 53 Ca 0.66 -0.61 -0.01 0.00 -1.01 0.00 0.00 55.97 55.01 1x53 s LYS 53 Cb -0.22 -2.70 0.04 0.00 -1.01 0.00 0.00 37.83 33.93 1x53 s LYS 53 CO 0.60 0.62 -0.05 -0.59 0.51 0.00 0.00 175.35 176.44 1x53 s PHE 54 N -1.15 1.56 -0.08 3.18 -0.12 -1.18 -1.87 117.98 118.33 1x53 s PHE 54 Ca 0.21 -0.93 0.05 0.00 -0.05 0.00 0.00 56.93 56.21 1x53 s PHE 54 Cb -0.12 -1.26 -0.00 0.00 -0.63 0.00 0.00 43.02 41.01 1x53 s PHE 54 CO 0.13 -0.57 -0.24 -1.58 -0.05 0.00 0.00 175.22 172.91 1x53 s HIS 55 N 1.68 2.43 0.20 3.49 2.46 0.13 -2.62 115.29 123.05 1x53 s HIS 55 Ca 0.02 -0.86 -0.10 0.00 0.47 0.00 0.00 55.06 54.59 1x53 s HIS 55 Cb -0.14 -1.61 -0.01 0.00 -0.13 0.00 0.00 32.58 30.69 1x53 s HIS 55 CO -0.08 -0.32 0.34 0.00 -2.47 0.00 0.00 174.74 172.22 1x53 s MET 56 N 0.12 1.31 -0.38 2.88 0.23 -0.64 0.15 119.30 122.97 1x53 s MET 56 Ca -0.11 -1.24 -0.01 0.00 -1.03 0.00 0.00 55.69 53.30 1x53 s MET 56 Cb -0.16 0.40 -0.01 0.00 -1.53 0.00 0.00 34.83 33.54 1x53 s MET 56 CO 0.06 -0.50 0.32 0.28 -2.03 0.00 0.00 175.02 173.14 1x53 n VAL 57 N -0.29 -2.44 -3.44 5.16 0.31 -1.26 -1.98 118.33 114.39 1x53 n VAL 57 Ca -0.04 -0.24 -0.25 0.00 -0.01 0.00 0.00 64.34 63.80 1x53 n VAL 57 Cb 0.63 -3.55 0.02 0.00 -0.91 0.00 0.00 33.84 30.02 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 -1.80 -4.68 -2.31 4.52 8.00 -1.26 -2.03 116.55 116.99 1x53 n ASP 58 Ca -0.07 -0.48 -0.09 0.00 0.71 0.00 0.00 54.79 54.86 1x53 n ASP 58 Cb 0.55 -3.80 0.05 0.00 -0.02 0.00 0.00 41.12 37.90 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 -1.42 -0.02 0.00 0.44 0.00 -1.23 -4.95 105.19 98.01 1x53 n GLY 59 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.18 4.71 -3.87 1.61 3.02 -0.86 -4.79 115.26 112.89 1x53 n ASN 60 Ca -0.13 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.14 1x53 n ASN 60 Cb 0.59 0.91 -0.17 0.00 -0.61 0.00 0.00 39.78 40.50 1x53 n ASN 60 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1x53 s VAL 61 N -2.07 0.99 0.41 2.41 1.01 -0.84 0.15 120.40 122.45 1x53 s VAL 61 Ca -0.00 -0.47 0.05 0.00 0.00 0.00 0.00 61.98 61.55 1x53 s VAL 61 Cb 0.01 -1.14 -0.06 0.00 0.00 0.00 0.00 36.38 35.19 1x53 s VAL 61 CO 0.05 0.18 0.03 -0.94 0.00 0.00 0.00 175.10 174.43 1x53 s SER 62 N 1.70 3.42 0.00 3.32 1.04 -1.14 -1.63 113.70 120.40 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 -0.14 -0.03 0.00 0.00 0.10 0.00 0.00 66.02 65.95 1x53 s SER 62 CO -0.08 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 174.13 1x53 n GLY 63 N -0.95 0.50 3.15 7.32 0.00 -1.08 -3.05 105.19 111.08 1x53 n GLY 63 Ca -0.07 -0.74 -0.12 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.16 0.31 -0.00 1.61 -1.05 -1.25 -3.08 118.70 114.07 1x53 s GLU 64 Ca 0.00 0.50 -0.30 0.00 -0.15 0.00 0.00 54.97 55.02 1x53 s GLU 64 Cb 0.00 0.05 -0.04 0.00 -0.44 0.00 0.00 34.13 33.70 1x53 s GLU 64 CO 0.00 -0.10 1.17 -0.06 0.95 0.00 0.00 175.26 177.23 1x53 s PHE 65 N 0.69 3.34 -0.15 4.83 0.40 0.77 -1.49 117.98 126.37 1x53 s PHE 65 Ca -0.04 1.31 0.04 0.00 -0.60 0.00 0.00 56.93 57.63 1x53 s PHE 65 Cb -0.06 -3.38 -0.12 0.00 0.51 0.00 0.00 43.02 39.97 1x53 s PHE 65 CO -0.04 -1.14 -0.09 0.25 0.70 0.00 0.00 175.22 174.90 1x53 n THR 66 N 4.26 0.88 -3.89 0.64 -2.24 0.12 0.15 114.28 114.20 1x53 n THR 66 Ca 0.10 -0.39 -0.11 0.00 -2.27 0.00 0.00 64.05 61.37 1x53 n THR 66 Cb 0.47 -0.95 -0.13 0.00 -2.10 0.00 0.00 70.33 67.62 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 -5.23 0.04 -0.20 3.42 -1.08 -0.60 -4.76 116.67 108.26 1x53 s ASP 67 Ca -0.17 -0.09 -0.04 0.00 -0.52 0.00 0.00 52.55 51.73 1x53 s ASP 67 Cb 0.05 0.08 0.08 0.00 -1.46 0.00 0.00 42.92 41.67 1x53 s ASP 67 CO 0.40 -0.10 0.18 -0.76 0.52 0.00 0.00 175.17 175.42 1x53 s LEU 68 N -0.41 0.02 -0.07 -1.34 1.43 -1.26 -1.61 118.68 115.44 1x53 s LEU 68 Ca -0.05 -0.35 0.01 0.00 -1.03 0.00 0.00 54.13 52.71 1x53 s LEU 68 Cb -0.03 0.20 -0.03 0.00 0.03 0.00 0.00 46.19 46.36 1x53 s LEU 68 CO -0.00 -0.34 -0.09 -0.69 0.23 0.00 0.00 176.35 175.46 1x53 s VAL 69 N 2.27 3.49 -0.36 -1.59 1.01 -0.83 -5.04 120.40 119.35 1x53 s VAL 69 Ca 0.06 -0.55 -0.38 0.00 0.00 0.00 0.00 61.98 61.10 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 -0.12 0.58 2.08 -2.65 0.00 0.00 0.00 175.10 175.00 1x53 n PRO 70 N 2.43 0.87 -3.37 2.72 -0.02 -1.26 -2.17 135.00 134.20 1x53 n PRO 70 Ca -0.18 0.26 -0.17 0.00 -2.02 0.00 0.00 63.50 61.39 1x53 n PRO 70 Cb 0.53 -2.18 -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 7.45 -0.95 0.07 -0.52 1.02 -1.26 -4.67 120.64 121.78 1x53 n GLU 71 Ca 0.41 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.60 1x53 n GLU 71 Cb 0.15 -1.92 0.00 0.00 -0.02 0.00 0.00 31.44 29.65 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 -2.75 0.00 -3.57 3.49 5.02 -0.92 -4.81 118.16 114.62 1x53 n LYS 72 Ca -0.13 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.08 1x53 n LYS 72 Cb 0.34 -0.34 -0.02 0.00 -0.02 0.00 0.00 35.03 34.99 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 -0.31 -0.02 2.13 -3.43 -1.24 -2.23 115.29 108.19 1x53 s HIS 73 Ca 0.00 0.10 -0.00 0.00 -0.80 0.00 0.00 55.06 54.36 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 -0.69 0.04 0.42 -2.00 0.00 0.00 174.74 172.51 1x53 s ILE 74 N -3.28 -0.06 -0.18 -5.38 1.01 -0.91 -1.96 121.20 110.44 1x53 s ILE 74 Ca 0.07 0.22 0.01 0.00 0.00 0.00 0.00 60.65 60.94 1x53 s ILE 74 Cb -0.01 -0.09 0.02 0.00 0.01 0.00 0.00 42.46 42.39 1x53 s ILE 74 CO -0.06 0.09 -0.20 -0.69 0.00 0.00 0.00 174.94 174.08 1x53 s VAL 75 N 1.07 2.08 0.24 2.92 1.01 -0.63 0.25 120.40 127.34 1x53 s VAL 75 Ca -0.09 -0.94 -0.11 0.00 0.00 0.00 0.00 61.98 60.85 1x53 s VAL 75 Cb -0.13 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.37 1x53 s VAL 75 CO -0.03 0.53 0.42 0.00 0.00 0.00 0.00 175.10 176.02 1x53 s MET 76 N 1.29 1.50 0.26 2.72 0.23 0.01 0.12 119.30 125.44 1x53 s MET 76 Ca 0.05 -1.33 -0.09 0.00 -1.03 0.00 0.00 55.69 53.29 1x53 s MET 76 Cb -0.13 0.44 -0.07 0.00 -1.53 0.00 0.00 34.83 33.54 1x53 s MET 76 CO -0.13 -0.61 0.58 0.15 -2.03 0.00 0.00 175.02 172.98 1x53 s LYS 77 N -4.01 3.77 -0.00 3.16 1.02 -0.56 -0.22 119.74 122.90 1x53 s LYS 77 Ca 0.25 0.25 0.02 0.00 0.02 0.00 0.00 55.97 56.51 1x53 s LYS 77 Cb 0.01 -2.62 -0.01 0.00 -0.52 0.00 0.00 37.83 34.69 1x53 s LYS 77 CO 0.10 0.26 -0.05 -0.46 -0.92 0.00 0.00 175.35 174.27 1x53 s TRP 78 N -1.93 0.48 -0.04 3.18 -0.00 0.12 -3.81 118.94 116.95 1x53 s TRP 78 Ca 0.47 -0.11 -0.30 0.00 -0.00 0.00 0.00 56.10 56.16 1x53 s TRP 78 Cb -0.11 -0.30 0.11 0.00 -0.00 0.00 0.00 33.47 33.17 1x53 s TRP 78 CO 0.24 -0.01 1.03 -0.98 -0.00 0.00 0.00 176.95 177.23 1x53 s ARG 79 N -0.21 0.69 0.39 5.86 1.70 -1.17 0.24 118.95 126.44 1x53 s ARG 79 Ca 0.01 -0.29 0.03 0.00 -0.47 0.00 0.00 55.73 55.01 1x53 s ARG 79 Cb -0.02 0.29 -0.01 0.00 -0.57 0.00 0.00 34.95 34.63 1x53 s ARG 79 CO -0.00 -0.30 0.57 -0.06 -1.08 0.00 0.00 175.30 174.43 1x53 s PHE 80 N -2.87 3.23 -1.80 5.89 0.08 -1.26 -2.89 117.98 118.35 1x53 s PHE 80 Ca 0.08 0.09 0.25 0.00 0.12 0.00 0.00 56.93 57.47 1x53 s PHE 80 Cb -0.00 -2.12 1.40 0.00 -0.57 0.00 0.00 43.02 41.72 1x53 s PHE 80 CO -0.06 -0.15 1.84 1.17 -0.10 0.00 0.00 175.22 177.92 1x53 n LYS 81 N -1.87 0.63 -0.00 0.44 0.00 0.39 -2.68 118.16 115.08 1x53 n LYS 81 Ca -0.00 0.02 0.03 0.00 0.00 0.00 0.00 58.31 58.35 1x53 n LYS 81 Cb 0.58 -1.50 -0.04 0.00 0.00 0.00 0.00 35.03 34.07 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 -1.10 2.05 -4.50 3.14 2.88 -1.26 -5.05 113.62 109.79 1x53 n SER 82 Ca 0.16 -0.30 -0.33 0.00 -1.33 0.00 0.00 58.87 57.07 1x53 n SER 82 Cb 0.12 1.14 0.12 0.00 -0.75 0.00 0.00 64.21 64.85 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 -1.43 -0.67 -0.60 0.66 7.02 -1.09 -4.95 117.44 116.38 1x53 n TRP 83 Ca -0.00 0.30 -0.24 0.00 -1.02 0.00 0.00 57.50 56.54 1x53 n TRP 83 Cb 0.12 -1.87 0.15 0.00 -2.42 0.00 0.00 31.31 27.29 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 -2.24 -1.97 -2.85 -0.99 -0.02 -1.26 -4.90 135.00 120.78 1x53 n PRO 84 Ca 0.09 -0.58 -0.41 0.00 -2.02 0.00 0.00 63.50 60.58 1x53 n PRO 84 Cb 0.53 -1.52 -0.04 0.00 -0.02 0.00 0.00 33.50 32.45 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 -3.39 4.36 -0.91 -0.52 2.12 -1.26 -3.81 118.70 115.29 1x53 s GLU 85 Ca 0.43 1.12 -0.05 0.00 0.36 0.00 0.00 54.97 56.82 1x53 s GLU 85 Cb -0.07 -3.55 0.01 0.00 0.26 0.00 0.00 34.13 30.78 1x53 s GLU 85 CO 0.46 -0.27 0.79 0.41 -0.54 0.00 0.00 175.26 176.11 1x53 n GLY 86 N 3.30 -0.07 2.84 -1.50 0.00 -1.26 -5.01 105.19 103.49 1x53 n GLY 86 Ca 0.05 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.22 2.27 0.37 1.61 2.46 -1.25 -5.12 115.29 112.42 1x53 s HIS 87 Ca 0.35 -1.98 0.06 0.00 0.47 0.00 0.00 55.06 53.96 1x53 s HIS 87 Cb -0.15 -1.93 -0.07 0.00 -0.13 0.00 0.00 32.58 30.29 1x53 s HIS 87 CO 0.50 -0.86 0.01 -0.06 -2.47 0.00 0.00 174.74 171.86 1x53 s PHE 88 N 1.42 2.32 -0.08 3.88 0.40 -1.26 -4.77 117.98 119.90 1x53 s PHE 88 Ca 0.07 -0.73 0.04 0.00 -0.60 0.00 0.00 56.93 55.71 1x53 s PHE 88 Cb -0.18 -1.56 0.00 0.00 0.51 0.00 0.00 43.02 41.79 1x53 s PHE 88 CO -0.17 0.34 -0.22 0.00 0.70 0.00 0.00 175.22 175.88 1x53 s ALA 89 N -2.87 1.96 -0.43 5.36 0.00 0.14 -4.79 121.76 121.12 1x53 s ALA 89 Ca 0.35 -0.87 -0.29 0.00 0.00 0.00 0.00 51.96 51.15 1x53 s ALA 89 Cb 0.08 -0.72 0.02 0.00 0.00 0.00 0.00 23.12 22.50 1x53 s ALA 89 CO 0.17 0.28 1.28 0.99 0.00 0.00 0.00 175.76 178.48 1x53 s THR 90 N 0.29 4.06 -0.12 0.00 2.01 -0.93 0.14 115.64 121.09 1x53 s THR 90 Ca -0.15 1.09 -0.02 0.00 0.31 0.00 0.00 61.69 62.93 1x53 s THR 90 Cb -0.16 -4.37 -0.03 0.00 0.01 0.00 0.00 72.50 67.95 1x53 s THR 90 CO 0.07 -0.83 -0.06 -0.63 -0.69 0.00 0.00 174.62 172.47 1x53 s ILE 91 N 4.91 3.70 -0.32 1.82 1.09 0.69 -0.94 121.20 132.15 1x53 s ILE 91 Ca 0.55 -0.44 0.01 0.00 -1.10 0.00 0.00 60.65 59.67 1x53 s ILE 91 Cb -0.11 -2.58 0.10 0.00 -1.06 0.00 0.00 42.46 38.81 1x53 s ILE 91 CO 0.31 0.53 0.08 -0.89 -0.10 0.00 0.00 174.94 174.88 1x53 s THR 92 N -0.05 1.42 0.76 2.92 2.01 0.61 -0.81 115.64 122.50 1x53 s THR 92 Ca 0.00 -1.77 -0.09 0.00 0.31 0.00 0.00 61.69 60.14 1x53 s THR 92 Cb -0.13 -2.06 0.08 0.00 0.01 0.00 0.00 72.50 70.39 1x53 s THR 92 CO 0.03 -0.65 1.09 -0.76 -0.69 0.00 0.00 174.62 173.64 1x53 s LEU 93 N 1.33 2.70 -0.24 4.42 1.43 0.14 -2.46 118.68 125.99 1x53 s LEU 93 Ca 0.10 0.54 -0.19 0.00 -1.03 0.00 0.00 54.13 53.55 1x53 s LEU 93 Cb -0.18 -3.09 0.07 0.00 0.03 0.00 0.00 46.19 43.02 1x53 s LEU 93 CO -0.19 -1.79 0.63 -0.89 0.23 0.00 0.00 176.35 174.34 1x53 s THR 94 N -3.40 -0.00 -0.23 5.49 2.01 -1.18 -2.14 115.64 116.18 1x53 s THR 94 Ca 0.62 0.01 -0.07 0.00 0.31 0.00 0.00 61.69 62.56 1x53 s THR 94 Cb -0.10 -0.89 -0.03 0.00 0.01 0.00 0.00 72.50 71.49 1x53 s THR 94 CO 0.47 0.00 0.05 -0.36 -0.69 0.00 0.00 174.62 174.09 1x53 s PHE 95 N 0.85 3.08 0.17 4.92 0.40 -0.95 -2.30 117.98 124.15 1x53 s PHE 95 Ca -0.04 -0.42 0.08 0.00 -0.60 0.00 0.00 56.93 55.96 1x53 s PHE 95 Cb -0.05 -2.18 -0.04 0.00 0.51 0.00 0.00 43.02 41.26 1x53 s PHE 95 CO -0.07 -0.29 -0.07 0.42 0.70 0.00 0.00 175.22 175.91 1x53 s ILE 96 N 1.34 3.35 -0.18 0.64 1.01 -1.18 -4.73 121.20 121.45 1x53 s ILE 96 Ca 0.05 -1.57 -0.07 0.00 0.00 0.00 0.00 60.65 59.06 1x53 s ILE 96 Cb -0.15 -2.66 -0.04 0.00 0.01 0.00 0.00 42.46 39.62 1x53 s ILE 96 CO 0.03 -0.10 0.06 -0.62 0.00 0.00 0.00 174.94 174.30 1x53 s ASP 97 N -2.83 5.55 -0.05 3.58 2.15 -1.26 -3.18 116.67 120.64 1x53 s ASP 97 Ca 0.25 0.05 0.07 0.00 0.43 0.00 0.00 52.55 53.35 1x53 s ASP 97 Cb -0.09 -1.95 0.10 0.00 -0.30 0.00 0.00 42.92 40.68 1x53 s ASP 97 CO 0.16 0.16 0.99 0.29 -0.17 0.00 0.00 175.17 176.60 1x53 n LYS 98 N 3.62 1.68 -2.52 4.34 4.76 -0.92 -4.99 118.16 124.13 1x53 n LYS 98 Ca -0.17 -1.69 -0.06 0.00 -2.87 0.00 0.00 58.31 53.52 1x53 n LYS 98 Cb 0.52 -1.05 0.03 0.00 -1.84 0.00 0.00 35.03 32.69 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 -0.71 -2.04 0.00 4.39 5.15 -1.26 -4.43 115.26 116.37 1x53 n ASN 99 Ca 0.06 -0.22 0.00 0.00 -0.60 0.00 0.00 54.58 53.81 1x53 n ASN 99 Cb 0.47 -2.16 0.00 0.00 -0.53 0.00 0.00 39.78 37.56 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 -1.05 2.33 3.61 8.20 0.00 -1.26 -5.12 105.19 111.90 1x53 n GLY 100 Ca -0.10 -0.23 -0.28 0.00 0.00 0.00 0.00 46.02 45.41 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 1.94 -0.07 1.61 2.02 -1.26 -3.35 118.70 119.59 1x53 s GLU 101 Ca 0.00 -2.11 -0.00 0.00 0.02 0.00 0.00 54.97 52.87 1x53 s GLU 101 Cb 0.00 -1.52 0.03 0.00 0.10 0.00 0.00 34.13 32.74 1x53 s GLU 101 CO 0.00 -0.10 -0.03 0.99 0.02 0.00 0.00 175.26 176.14 1x53 s THR 102 N -2.81 0.54 -0.53 3.63 2.01 0.14 -2.16 115.64 116.47 1x53 s THR 102 Ca 0.33 -0.02 -0.21 0.00 0.31 0.00 0.00 61.69 62.10 1x53 s THR 102 Cb 0.09 -0.63 0.06 0.00 0.01 0.00 0.00 72.50 72.02 1x53 s THR 102 CO 0.16 0.27 0.73 -0.70 -0.69 0.00 0.00 174.62 174.39 1x53 s GLU 103 N 1.61 3.17 -0.45 4.92 2.12 -1.19 0.11 118.70 128.99 1x53 s GLU 103 Ca 0.00 -0.74 -0.25 0.00 0.36 0.00 0.00 54.97 54.34 1x53 s GLU 103 Cb -0.13 -4.10 0.03 0.00 0.26 0.00 0.00 34.13 30.19 1x53 s GLU 103 CO -0.04 -1.33 0.92 -1.17 -0.54 0.00 0.00 175.26 173.10 1x53 s LEU 104 N 3.04 4.01 -0.73 2.70 2.96 0.85 -3.11 118.68 128.40 1x53 s LEU 104 Ca 0.19 0.16 -0.17 0.00 -0.22 0.00 0.00 54.13 54.10 1x53 s LEU 104 Cb -0.18 -3.20 0.15 0.00 0.50 0.00 0.00 46.19 43.47 1x53 s LEU 104 CO 0.14 -1.03 0.78 0.00 -1.32 0.00 0.00 176.35 174.91 1x53 s MET 106 N 1.66 4.58 -0.32 0.00 1.75 0.11 -3.11 119.30 123.98 1x53 s MET 106 Ca 0.17 1.32 -0.01 0.00 -1.25 0.00 0.00 55.69 55.91 1x53 s MET 106 Cb -0.16 -3.42 0.11 0.00 2.84 0.00 0.00 34.83 34.20 1x53 s MET 106 CO -0.02 0.10 0.13 -2.00 -0.65 0.00 0.00 175.02 172.58 1x53 s GLU 107 N 0.48 0.58 -0.09 4.11 2.12 -1.03 -1.63 118.70 123.25 1x53 s GLU 107 Ca 0.47 -1.00 -0.00 0.00 0.36 0.00 0.00 54.97 54.79 1x53 s GLU 107 Cb -0.21 -1.69 -0.03 0.00 0.26 0.00 0.00 34.13 32.45 1x53 s GLU 107 CO 0.27 -1.03 -0.06 0.20 -0.54 0.00 0.00 175.26 174.10 1x53 s GLY 108 N 1.62 1.71 -0.10 -1.50 0.00 -0.04 -0.28 107.32 108.73 1x53 s GLY 108 Ca 0.11 -0.87 -0.03 0.00 0.00 0.00 0.00 44.72 43.93 1x53 s GLY 108 CO -0.25 -0.54 0.05 1.09 0.00 0.00 0.00 173.10 173.45 1x53 s ARG 109 N -0.59 0.20 0.00 2.90 1.70 -0.12 -0.17 118.95 122.87 1x53 s ARG 109 Ca 0.09 0.11 0.00 0.00 -0.47 0.00 0.00 55.73 55.46 1x53 s ARG 109 Cb -0.12 -1.12 0.00 0.00 -0.57 0.00 0.00 34.95 33.14 1x53 s ARG 109 CO 0.02 -0.44 0.00 0.41 -1.08 0.00 0.00 175.30 174.21 1x53 n GLY 110 N 5.23 0.77 3.66 3.88 0.00 -0.91 -2.19 105.19 115.64 1x53 n GLY 110 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.30 4.21 -0.24 -0.61 1.09 -0.87 -4.52 121.20 118.96 1x53 s ILE 111 Ca 0.00 1.46 -0.40 0.00 -1.10 0.00 0.00 60.65 60.61 1x53 s ILE 111 Cb 0.00 -3.94 -0.16 0.00 -1.06 0.00 0.00 42.46 37.30 1x53 s ILE 111 CO 0.00 -0.12 1.70 -2.65 -0.10 0.00 0.00 174.94 173.77 1x53 n PRO 112 N 6.62 1.16 -0.24 2.79 -0.02 -1.26 0.11 135.00 144.15 1x53 n PRO 112 Ca 0.14 0.42 0.04 0.00 -2.02 0.00 0.00 63.50 62.09 1x53 n PRO 112 Cb 0.45 -2.10 0.15 0.00 -0.02 0.00 0.00 33.50 31.97 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 6.92 0.78 -0.73 3.55 0.00 -0.74 0.46 119.26 129.50 1x53 h ALA 113 Ca -0.47 0.22 0.13 0.00 0.00 0.00 0.00 54.91 54.79 1x53 h ALA 113 Cb 1.32 0.37 -0.05 0.00 0.00 0.00 0.00 17.79 19.43 1x53 h ALA 113 CO 0.94 -0.41 0.49 -1.35 0.00 0.00 0.00 179.25 178.92 1x53 h PRO 114 N 0.13 0.46 -0.34 0.00 0.11 -1.89 -0.38 132.00 130.10 1x53 h PRO 114 Ca 0.40 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.48 1x53 h PRO 114 Cb 0.69 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.69 1x53 h PRO 114 CO -0.61 0.30 0.00 0.39 -0.21 0.00 0.00 178.00 177.87 1x53 n GLU 115 N -4.49 3.20 0.03 1.05 -0.58 0.58 -4.74 120.64 115.69 1x53 n GLU 115 Ca 0.13 -2.75 -0.06 0.00 -0.42 0.00 0.00 57.16 54.06 1x53 n GLU 115 Cb 0.46 -1.80 -0.04 0.00 -0.57 0.00 0.00 31.44 29.49 1x53 n GLU 115 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1x53 h GLU 116 N 2.24 -0.26 0.85 3.49 4.81 0.15 -1.06 114.58 124.80 1x53 h GLU 116 Ca 0.00 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 1x53 h GLU 116 Cb 1.39 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.83 1x53 h GLU 116 CO 0.22 -0.17 -0.45 1.49 -0.73 0.00 0.00 179.01 179.37 1x53 h GLU 117 N -0.27 -1.15 -0.80 1.92 4.81 -1.85 -2.72 114.58 114.53 1x53 h GLU 117 Ca 0.00 0.08 0.27 0.00 -0.13 0.00 0.00 59.36 59.57 1x53 h GLU 117 Cb 0.28 0.26 -0.15 0.00 0.63 0.00 0.00 28.75 29.77 1x53 h GLU 117 CO -0.12 -0.76 0.18 -2.13 -0.73 0.00 0.00 179.01 175.45 1x53 n ARG 118 N -5.61 -0.06 0.00 1.92 0.63 -1.20 0.12 116.66 112.46 1x53 n ARG 118 Ca -0.15 1.16 0.00 0.00 -0.92 0.00 0.00 57.85 57.93 1x53 n ARG 118 Cb 0.48 -1.93 0.00 0.00 0.45 0.00 0.00 32.46 31.46 1x53 n ARG 118 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 1x53 n THR 119 N -5.00 0.00 0.31 5.15 -1.04 -0.41 -1.78 114.28 111.52 1x53 n THR 119 Ca 0.23 1.31 0.12 0.00 -2.04 0.00 0.00 64.05 63.68 1x53 n THR 119 Cb 0.78 -2.31 0.62 0.00 -1.82 0.00 0.00 70.33 67.60 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 0.00 -0.01 -2.82 2.43 -0.91 0.36 114.38 113.43 1x53 h ARG 120 Ca 0.00 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.03 1x53 h ARG 120 Cb 0.00 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1x53 h ARG 120 CO 0.00 0.00 -0.53 1.96 -1.51 0.00 0.00 179.97 179.89 1x53 h GLN 121 N 0.00 0.38 -0.43 0.20 1.08 -0.12 -3.32 115.11 112.90 1x53 h GLN 121 Ca 0.02 -0.39 -0.10 0.00 -1.45 0.00 0.00 58.65 56.74 1x53 h GLN 121 Cb 1.05 0.11 -0.06 0.00 -0.05 0.00 0.00 27.48 28.53 1x53 h GLN 121 CO -0.00 1.06 0.06 0.41 -0.95 0.00 0.00 178.83 179.42 1x53 n GLY 122 N 1.02 4.05 0.02 3.46 0.00 0.85 -4.34 105.19 110.25 1x53 n GLY 122 Ca -0.10 -1.06 -0.01 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.47 0.19 0.05 1.61 -0.00 0.89 -4.45 117.44 115.25 1x53 n TRP 123 Ca 0.30 0.08 -0.03 0.00 -0.00 0.00 0.00 57.50 57.84 1x53 n TRP 123 Cb 1.08 -0.33 0.20 0.00 -0.00 0.00 0.00 31.31 32.26 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 -0.26 0.37 -1.00 5.87 4.20 -1.83 0.81 115.11 123.28 1x53 h GLN 124 Ca 0.00 -0.17 0.29 0.00 0.06 0.00 0.00 58.65 58.83 1x53 h GLN 124 Cb 0.16 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.89 1x53 h GLN 124 CO 0.00 0.68 0.91 0.00 -0.67 0.00 0.00 178.83 179.76 1x53 h ARG 125 N 0.32 0.00 0.00 1.46 3.08 -1.80 0.97 114.38 118.41 1x53 h ARG 125 Ca 0.04 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.03 1x53 h ARG 125 Cb 0.78 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 1x53 h ARG 125 CO 0.06 0.00 -1.22 0.66 -1.07 0.00 0.00 179.97 178.41 1x53 n TYR 126 N -3.71 0.00 0.13 3.04 4.01 -1.10 -2.92 117.16 116.61 1x53 n TYR 126 Ca 0.22 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.90 1x53 n TYR 126 Cb 1.24 -0.15 -0.02 0.00 -0.31 0.00 0.00 39.34 40.09 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 -0.31 0.00 -0.72 -1.99 -0.08 -3.30 116.97 110.57 1x53 h TYR 127 Ca -0.08 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.64 1x53 h TYR 127 Cb 1.16 0.10 0.00 0.00 2.00 0.00 0.00 36.73 39.99 1x53 h TYR 127 CO 0.00 -0.19 0.00 1.19 -0.00 0.00 0.00 178.16 179.16 1x53 n PHE 128 N -3.08 0.00 -0.21 4.88 3.72 -0.34 -3.72 117.46 118.70 1x53 n PHE 128 Ca -0.04 0.00 0.19 0.00 -0.05 0.00 0.00 57.45 57.55 1x53 n PHE 128 Cb 0.13 -0.15 0.35 0.00 -0.94 0.00 0.00 39.48 38.87 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 -2.27 -0.04 0.11 -1.08 -0.58 0.19 -0.14 120.64 116.83 1x53 n GLU 129 Ca 0.00 0.92 -0.05 0.00 -0.42 0.00 0.00 57.16 57.62 1x53 n GLU 129 Cb 0.00 -1.62 -0.02 0.00 -0.57 0.00 0.00 31.44 29.23 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 -0.31 0.11 0.62 0.00 -1.61 -3.13 103.07 98.76 1x53 h GLY 130 Ca 0.53 0.12 0.14 0.00 0.00 0.00 0.00 47.33 48.11 1x53 h GLY 130 CO -0.53 -0.11 0.21 -2.22 0.00 0.00 0.00 176.54 173.89 1x53 h ILE 131 N -0.42 0.62 -0.32 2.60 2.04 -0.90 0.39 117.51 121.52 1x53 h ILE 131 Ca -0.03 -0.12 0.09 0.00 1.00 0.00 0.00 64.86 65.81 1x53 h ILE 131 Cb 0.23 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 1x53 h ILE 131 CO 0.05 0.06 0.53 0.11 0.00 0.00 0.00 178.15 178.90 1x53 h LYS 132 N 0.34 0.00 0.00 2.37 1.57 -0.62 0.26 116.57 120.49 1x53 h LYS 132 Ca 0.38 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.83 1x53 h LYS 132 Cb 0.59 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.85 1x53 h LYS 132 CO -0.43 0.00 -2.09 1.04 -0.57 0.00 0.00 179.45 177.40 1x53 n GLN 133 N -3.32 0.57 0.31 3.15 1.13 0.11 -2.23 117.38 117.10 1x53 n GLN 133 Ca 0.06 0.25 -0.17 0.00 -1.94 0.00 0.00 57.00 55.19 1x53 n GLN 133 Cb 0.67 -1.47 -0.09 0.00 0.11 0.00 0.00 30.24 29.45 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 0.18 0.00 5.09 2.02 -0.27 -3.07 112.91 115.87 1x53 h THR 134 Ca -0.50 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 66.60 1x53 h THR 134 Cb 1.44 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 1x53 h THR 134 CO -0.30 0.00 -0.75 -0.26 0.37 0.00 0.00 175.52 174.57 1x53 h PHE 135 N -0.92 0.00 -0.52 3.16 -1.00 -0.74 -3.48 116.94 113.44 1x53 h PHE 135 Ca -0.06 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.72 1x53 h PHE 135 Cb 0.77 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.33 1x53 h PHE 135 CO -0.16 0.31 0.00 0.41 -1.61 0.00 0.00 178.31 177.26 1x53 n GLY 136 N 1.23 0.87 1.87 -1.45 0.00 -0.72 -4.97 105.19 102.03 1x53 n GLY 136 Ca -0.01 -0.60 -0.13 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.50 2.22 -3.99 1.61 4.01 -0.95 -4.77 117.16 112.80 1x53 n TYR 137 Ca 0.00 -1.33 -0.22 0.00 -0.16 0.00 0.00 57.90 56.19 1x53 n TYR 137 Cb 0.40 -0.71 -0.05 0.00 -0.31 0.00 0.00 39.34 38.67 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 -0.74 1.83 -0.02 2.72 0.00 -1.07 -1.27 107.32 108.77 1x53 s GLY 138 Ca 0.44 -1.72 0.08 0.00 0.00 0.00 0.00 44.72 43.51 1x53 s GLY 138 CO 0.09 -1.66 -0.25 0.00 0.00 0.00 0.00 173.10 171.28 1x53 s ALA 139 N -2.35 2.06 -0.19 3.20 0.00 -1.26 -4.69 121.76 118.53 1x53 s ALA 139 Ca 0.38 -1.08 -0.04 0.00 0.00 0.00 0.00 51.96 51.23 1x53 s ALA 139 Cb -0.04 -0.52 -0.06 0.00 0.00 0.00 0.00 23.12 22.50 1x53 s ALA 139 CO 0.24 0.51 2.88 -1.13 0.00 0.00 0.00 175.76 178.26 1x53 n SER 140 N 2.44 5.82 -4.27 0.00 3.41 -1.26 -4.91 113.62 114.85 1x53 n SER 140 Ca -0.16 -2.78 -0.22 0.00 -0.26 0.00 0.00 58.87 55.45 1x53 n SER 140 Cb 0.51 -1.27 0.12 0.00 -0.26 0.00 0.00 64.21 63.32 1x53 n SER 140 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x53 n GLY 141 N 1.53 0.45 3.57 5.00 0.00 -1.26 -5.01 105.19 109.46 1x53 n GLY 141 Ca 0.36 -1.99 -0.41 0.00 0.00 0.00 0.00 46.02 43.98 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 -4.95 3.24 0.34 1.61 0.04 -1.26 -4.88 135.00 129.13 1x53 s PRO 142 Ca 0.61 0.22 0.07 0.00 0.04 0.00 0.00 61.00 61.95 1x53 s PRO 142 Cb -0.03 -4.15 0.77 0.00 0.04 0.00 0.00 34.50 31.12 1x53 s PRO 142 CO 0.41 -2.04 1.87 0.66 0.04 0.00 0.00 177.00 177.93 1x53 h SER 143 N 10.87 0.71 -1.03 6.66 4.64 -1.95 -1.23 113.55 132.22 1x53 h SER 143 Ca -0.27 0.04 -0.53 0.00 -0.47 0.00 0.00 61.79 60.57 1x53 h SER 143 Cb 1.08 -0.10 -0.20 0.00 -0.31 0.00 0.00 62.40 62.87 1x53 h SER 143 CO 1.22 0.36 0.60 -1.20 -0.87 0.00 0.00 176.83 176.94 1x53 n SER 144 N -4.57 6.89 0.00 4.97 7.64 -1.26 -5.31 113.62 121.98 1x53 n SER 144 Ca 0.17 -3.38 0.00 0.00 1.01 0.00 0.00 58.87 56.67 1x53 n SER 144 Cb 0.44 -1.11 0.00 0.00 -1.01 0.00 0.00 64.21 62.53 1x53 n SER 144 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64