#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 -0.58 0.03 1.61 0.01 -1.26 -5.17 113.70 108.33 1x53 s SER 2 Ca 0.00 1.10 0.08 0.00 1.31 0.00 0.00 55.95 58.44 1x53 s SER 2 Cb 0.00 1.11 -0.02 0.00 0.21 0.00 0.00 66.02 67.32 1x53 s SER 2 CO 0.00 -0.22 -0.25 -0.94 0.41 0.00 0.00 173.24 172.24 1x53 s SER 3 N 0.19 2.95 -0.17 2.44 1.04 -1.26 -4.95 113.70 113.94 1x53 s SER 3 Ca -0.01 -0.53 -0.10 0.00 0.48 0.00 0.00 55.95 55.79 1x53 s SER 3 Cb -0.04 -0.28 0.04 0.00 0.10 0.00 0.00 66.02 65.84 1x53 s SER 3 CO 0.01 0.25 0.20 0.61 0.98 0.00 0.00 173.24 175.30 1x53 n GLY 4 N 2.01 -4.48 2.19 7.32 0.00 -1.26 -4.77 105.19 106.19 1x53 n GLY 4 Ca -0.17 1.50 -0.19 0.00 0.00 0.00 0.00 46.02 47.17 1x53 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x53 n SER 5 N 1.77 5.85 -4.00 1.61 2.88 -1.26 -4.72 113.62 115.75 1x53 n SER 5 Ca -0.34 -2.74 -0.32 0.00 -1.33 0.00 0.00 58.87 54.13 1x53 n SER 5 Cb 0.54 -1.36 -0.10 0.00 -0.75 0.00 0.00 64.21 62.54 1x53 n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x53 s SER 6 N 1.42 5.19 0.00 -3.46 0.15 -1.26 -5.04 113.70 110.71 1x53 s SER 6 Ca 0.64 -3.55 0.00 0.00 0.70 0.00 0.00 55.95 53.74 1x53 s SER 6 Cb 0.33 -1.76 0.00 0.00 -1.71 0.00 0.00 66.02 62.88 1x53 s SER 6 CO -0.08 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.79 1x53 n GLY 7 N 2.47 -3.23 3.70 9.45 0.00 -1.26 -4.99 105.19 111.33 1x53 n GLY 7 Ca 0.16 -2.11 -0.35 0.00 0.00 0.00 0.00 46.02 43.72 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 -0.64 4.62 0.42 -0.61 1.01 -1.26 -5.10 121.20 119.64 1x53 s ILE 8 Ca 0.00 -0.12 -0.22 0.00 0.00 0.00 0.00 60.65 60.31 1x53 s ILE 8 Cb 0.00 -2.99 -0.10 0.00 0.01 0.00 0.00 42.46 39.37 1x53 s ILE 8 CO 0.00 0.57 0.97 -2.16 0.00 0.00 0.00 174.94 174.32 1x53 s PRO 9 N -0.57 4.21 0.32 2.79 0.04 -1.26 -4.98 135.00 135.54 1x53 s PRO 9 Ca 0.10 1.22 0.05 0.00 0.04 0.00 0.00 61.00 62.42 1x53 s PRO 9 Cb -0.12 -2.29 -0.03 0.00 0.04 0.00 0.00 34.50 32.10 1x53 s PRO 9 CO 0.02 -0.06 0.28 0.95 0.04 0.00 0.00 177.00 178.24 1x53 s THR 10 N -2.02 0.00 0.34 1.26 -4.23 -1.26 -0.26 115.64 109.47 1x53 s THR 10 Ca 0.61 -1.95 -0.08 0.00 -1.18 0.00 0.00 61.69 59.08 1x53 s THR 10 Cb -0.13 -2.52 0.02 0.00 1.34 0.00 0.00 72.50 71.21 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 -3.02 3.51 -0.66 0.00 2.20 -1.26 -2.76 119.74 117.74 1x53 s LYS 12 Ca 0.24 -0.22 0.06 0.00 -0.36 0.00 0.00 55.97 55.68 1x53 s LYS 12 Cb -0.02 -3.14 0.23 0.00 -1.51 0.00 0.00 37.83 33.39 1x53 s LYS 12 CO 0.15 0.64 0.71 -0.89 -0.36 0.00 0.00 175.35 175.60 1x53 n ILE 13 N 2.40 2.27 -3.09 5.43 2.08 0.12 -4.95 119.36 123.63 1x53 n ILE 13 Ca -0.19 -5.16 -0.43 0.00 0.56 0.00 0.00 62.75 57.53 1x53 n ILE 13 Cb 0.54 -2.12 -0.07 0.00 -0.75 0.00 0.00 39.64 37.24 1x53 n ILE 13 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 1x53 s THR 14 N -2.27 4.82 -0.12 1.39 2.01 -1.26 -2.34 115.64 117.88 1x53 s THR 14 Ca 0.36 0.30 0.03 0.00 0.31 0.00 0.00 61.69 62.69 1x53 s THR 14 Cb 0.10 -4.18 0.01 0.00 0.01 0.00 0.00 72.50 68.44 1x53 s THR 14 CO -0.04 -0.53 -0.23 -0.76 -0.69 0.00 0.00 174.62 172.37 1x53 s LEU 15 N 2.85 2.09 -0.32 4.42 1.43 -0.70 -4.96 118.68 123.48 1x53 s LEU 15 Ca 0.24 -0.58 0.01 0.00 -1.03 0.00 0.00 54.13 52.78 1x53 s LEU 15 Cb -0.14 -1.41 0.08 0.00 0.03 0.00 0.00 46.19 44.75 1x53 s LEU 15 CO 0.18 0.11 0.02 -0.54 0.23 0.00 0.00 176.35 176.35 1x53 s LYS 16 N 0.60 1.98 0.15 1.70 1.02 -1.26 -0.39 119.74 123.54 1x53 s LYS 16 Ca -0.13 -1.59 0.11 0.00 0.02 0.00 0.00 55.97 54.38 1x53 s LYS 16 Cb -0.17 -3.17 -0.04 0.00 -0.52 0.00 0.00 37.83 33.93 1x53 s LYS 16 CO 0.03 -0.79 -0.25 -2.00 -0.92 0.00 0.00 175.35 171.43 1x53 s GLU 17 N 1.07 1.41 -0.16 1.68 2.56 -0.95 -4.98 118.70 119.33 1x53 s GLU 17 Ca 0.01 -1.40 -0.07 0.00 0.00 0.00 0.00 54.97 53.51 1x53 s GLU 17 Cb -0.20 -1.80 -0.04 0.00 2.00 0.00 0.00 34.13 34.09 1x53 s GLU 17 CO -0.05 0.41 0.07 0.99 -0.56 0.00 0.00 175.26 176.11 1x53 s THR 18 N -1.35 4.83 -0.06 -1.70 2.01 -1.26 -0.97 115.64 117.14 1x53 s THR 18 Ca 0.16 -0.02 -0.00 0.00 0.31 0.00 0.00 61.69 62.13 1x53 s THR 18 Cb -0.09 -3.15 -0.03 0.00 0.01 0.00 0.00 72.50 69.24 1x53 s THR 18 CO 0.07 0.50 -0.01 -0.36 -0.69 0.00 0.00 174.62 174.14 1x53 s PHE 19 N 0.03 3.11 -0.06 4.92 0.40 0.82 -4.77 117.98 122.43 1x53 s PHE 19 Ca 0.06 0.14 -0.00 0.00 -0.60 0.00 0.00 56.93 56.53 1x53 s PHE 19 Cb -0.12 -1.74 0.04 0.00 0.51 0.00 0.00 43.02 41.71 1x53 s PHE 19 CO 0.01 0.45 1.90 1.28 0.70 0.00 0.00 175.22 179.56 1x53 n LEU 20 N 1.91 5.30 -4.13 -0.37 7.99 1.00 -0.13 117.00 128.58 1x53 n LEU 20 Ca -0.17 -2.47 -0.11 0.00 -0.01 0.00 0.00 56.01 53.25 1x53 n LEU 20 Cb 0.53 -1.05 -0.09 0.00 -0.11 0.00 0.00 43.42 42.70 1x53 n LEU 20 CO 0.30 0.99 -0.16 0.28 -1.51 0.00 0.00 177.39 177.30 1x53 s THR 21 N -0.41 0.03 0.48 -5.08 -1.32 -1.19 -4.84 115.64 103.31 1x53 s THR 21 Ca 0.06 -1.82 -0.15 0.00 -1.21 0.00 0.00 61.69 58.57 1x53 s THR 21 Cb 0.04 -2.30 -0.08 0.00 -1.51 0.00 0.00 72.50 68.66 1x53 s THR 21 CO 0.00 -0.11 0.93 -0.44 -2.21 0.00 0.00 174.62 172.78 1x53 s SER 22 N -3.10 6.61 0.11 8.08 0.01 -1.26 -1.73 113.70 122.42 1x53 s SER 22 Ca 0.31 1.46 -0.31 0.00 1.31 0.00 0.00 55.95 58.72 1x53 s SER 22 Cb 0.05 -2.46 -0.12 0.00 0.21 0.00 0.00 66.02 63.71 1x53 s SER 22 CO 0.08 -0.53 1.51 -0.65 0.41 0.00 0.00 173.24 174.06 1x53 h PRO 23 N 1.04 -0.48 -1.11 12.44 0.11 -1.87 -0.23 132.00 141.89 1x53 h PRO 23 Ca -0.47 0.03 0.32 0.00 0.11 0.00 0.00 66.00 66.00 1x53 h PRO 23 Cb 1.18 0.11 -0.12 0.00 0.11 0.00 0.00 31.00 32.29 1x53 h PRO 23 CO 0.62 -0.32 0.70 1.05 -0.21 0.00 0.00 178.00 179.83 1x53 h GLU 24 N -0.50 0.29 0.15 1.05 4.11 -1.94 0.48 114.58 118.22 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 0.61 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1x53 h GLU 24 CO -0.43 0.19 -0.07 1.49 0.07 0.00 0.00 179.01 180.26 1x53 h GLU 25 N 0.30 -0.20 -0.09 1.06 4.57 -1.43 -3.03 114.58 115.77 1x53 h GLU 25 Ca 0.69 0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.91 1x53 h GLU 25 Cb 1.83 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 30.46 1x53 h GLU 25 CO -0.41 -0.13 0.12 1.25 -1.18 0.00 0.00 179.01 178.67 1x53 h LEU 26 N -0.22 0.00 -1.38 1.64 5.85 -0.84 -0.04 115.31 120.31 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 0.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.19 1x53 h LEU 26 CO 0.03 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.13 1x53 n TYR 27 N -3.63 0.73 -0.13 1.25 9.36 0.16 -2.49 117.16 122.42 1x53 n TYR 27 Ca -0.01 0.38 -0.28 0.00 3.32 0.00 0.00 57.90 61.31 1x53 n TYR 27 Cb 0.22 -1.10 -0.10 0.00 -0.63 0.00 0.00 39.34 37.72 1x53 n TYR 27 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1x53 n ARG 28 N -2.25 0.59 0.31 2.98 1.74 -0.03 -3.27 116.66 116.72 1x53 n ARG 28 Ca -0.01 0.33 0.09 0.00 -0.77 0.00 0.00 57.85 57.49 1x53 n ARG 28 Cb 0.05 -1.55 0.43 0.00 -1.02 0.00 0.00 32.46 30.36 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 -0.98 0.01 0.00 1.55 2.07 -1.51 2.10 116.25 119.50 1x53 h VAL 29 Ca -0.62 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 66.87 1x53 h VAL 29 Cb 1.55 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1x53 h VAL 29 CO -0.37 0.00 -1.71 0.49 0.02 0.00 0.00 177.57 175.99 1x53 n PHE 30 N -2.75 0.00 -0.78 1.57 3.01 -1.16 -4.16 117.46 113.19 1x53 n PHE 30 Ca 0.00 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.54 1x53 n PHE 30 Cb 0.71 -0.38 0.19 0.00 -0.01 0.00 0.00 39.48 40.00 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 -2.07 1.85 -3.78 4.37 -2.24 0.40 -4.91 114.28 107.91 1x53 n THR 31 Ca -0.05 -1.73 -0.28 0.00 -2.27 0.00 0.00 64.05 59.72 1x53 n THR 31 Cb 0.45 -0.05 -0.16 0.00 -2.10 0.00 0.00 70.33 68.47 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 -2.35 0.75 0.09 4.28 2.01 0.61 -4.29 115.64 116.73 1x53 s THR 32 Ca 0.33 -0.75 -0.23 0.00 0.31 0.00 0.00 61.69 61.35 1x53 s THR 32 Cb 0.26 -1.23 -0.08 0.00 0.01 0.00 0.00 72.50 71.46 1x53 s THR 32 CO 0.08 -0.22 1.38 -0.61 -0.69 0.00 0.00 174.62 174.56 1x53 h GLN 33 N 8.18 -0.28 -0.65 4.92 4.15 -1.86 -1.18 115.11 128.38 1x53 h GLN 33 Ca -0.16 0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.34 1x53 h GLN 33 Cb 1.10 0.06 -0.08 0.00 0.21 0.00 0.00 27.48 28.78 1x53 h GLN 33 CO 0.36 -0.19 -0.40 1.49 -1.93 0.00 0.00 178.83 178.17 1x53 h GLU 34 N -0.29 -0.02 -1.12 1.69 4.57 -1.90 0.97 114.58 118.48 1x53 h GLU 34 Ca 0.05 0.00 0.31 0.00 -1.18 0.00 0.00 59.36 58.54 1x53 h GLU 34 Cb 0.42 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 28.94 1x53 h GLU 34 CO -0.41 -0.01 0.76 -0.07 -1.18 0.00 0.00 179.01 178.10 1x53 h LEU 35 N -0.02 0.25 -0.29 1.64 3.38 -1.78 0.29 115.31 118.79 1x53 h LEU 35 Ca 0.10 0.06 -0.11 0.00 0.09 0.00 0.00 57.88 58.02 1x53 h LEU 35 Cb 0.28 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1x53 h LEU 35 CO -0.62 0.03 -0.26 0.58 0.09 0.00 0.00 178.44 178.26 1x53 h VAL 36 N 0.21 1.30 0.00 1.22 2.07 0.21 -2.65 116.25 118.61 1x53 h VAL 36 Ca 0.60 -1.42 0.00 0.00 0.82 0.00 0.00 66.70 66.70 1x53 h VAL 36 Cb 1.90 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 33.23 1x53 h VAL 36 CO -0.19 0.45 0.00 0.00 0.02 0.00 0.00 177.57 177.85 1x53 n GLN 37 N -4.29 0.36 -0.10 1.57 6.02 0.97 -1.38 117.38 120.53 1x53 n GLN 37 Ca -0.04 0.08 -0.19 0.00 -0.01 0.00 0.00 57.00 56.84 1x53 n GLN 37 Cb 0.45 -1.50 -0.10 0.00 1.02 0.00 0.00 30.24 30.11 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 2.90 0.22 -0.00 -1.58 0.00 -1.03 -2.84 119.26 116.93 1x53 h ALA 38 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 54.91 53.81 1x53 h ALA 38 Cb 0.09 0.71 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1x53 h ALA 38 CO 0.00 0.67 -0.17 1.97 0.00 0.00 0.00 179.25 181.73 1x53 n PHE 39 N -4.46 0.00 -0.04 0.00 1.16 -1.16 -3.55 117.46 109.42 1x53 n PHE 39 Ca -0.28 0.00 0.03 0.00 -1.87 0.00 0.00 57.45 55.33 1x53 n PHE 39 Cb 0.61 -0.35 -0.15 0.00 -1.61 0.00 0.00 39.48 37.99 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 -1.37 0.45 -4.12 1.97 -2.24 -0.48 -4.62 114.28 103.87 1x53 n THR 40 Ca 0.09 -0.56 -0.33 0.00 -2.27 0.00 0.00 64.05 60.98 1x53 n THR 40 Cb 0.32 -0.15 -0.02 0.00 -2.10 0.00 0.00 70.33 68.38 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 -2.35 -1.78 -3.51 4.78 8.25 -1.07 -4.79 115.22 114.75 1x53 n HIS 41 Ca -0.13 0.80 -0.16 0.00 -0.26 0.00 0.00 57.72 57.97 1x53 n HIS 41 Cb 0.71 -3.27 -0.05 0.00 1.12 0.00 0.00 29.99 28.51 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 -3.47 -1.65 -0.88 -1.41 0.00 -1.26 -4.94 121.76 108.15 1x53 s ALA 42 Ca 0.54 1.02 -0.20 0.00 0.00 0.00 0.00 51.96 53.32 1x53 s ALA 42 Cb -0.29 0.25 -0.23 0.00 0.00 0.00 0.00 23.12 22.85 1x53 s ALA 42 CO 0.91 -0.47 2.37 -2.30 0.00 0.00 0.00 175.76 176.26 1x53 n PRO 43 N 0.57 0.29 -4.92 0.00 -0.02 -1.26 -4.48 135.00 125.17 1x53 n PRO 43 Ca -0.19 -0.23 -0.32 0.00 -2.02 0.00 0.00 63.50 60.74 1x53 n PRO 43 Cb 0.59 -2.14 -0.13 0.00 -0.02 0.00 0.00 33.50 31.79 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 7.39 2.60 -0.32 3.55 0.00 -1.26 -3.18 121.76 130.53 1x53 s ALA 44 Ca 1.18 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 52.13 1x53 s ALA 44 Cb -0.65 -0.90 0.10 0.00 0.00 0.00 0.00 23.12 21.67 1x53 s ALA 44 CO 0.38 0.56 0.08 0.99 0.00 0.00 0.00 175.76 177.77 1x53 s THR 45 N -0.74 1.41 -0.09 0.00 2.01 0.20 -4.80 115.64 113.64 1x53 s THR 45 Ca 0.12 -1.78 -0.02 0.00 0.31 0.00 0.00 61.69 60.33 1x53 s THR 45 Cb -0.11 -2.06 -0.03 0.00 0.01 0.00 0.00 72.50 70.32 1x53 s THR 45 CO 0.01 -0.65 -0.01 -0.22 -0.69 0.00 0.00 174.62 173.06 1x53 s LEU 46 N 1.33 3.52 -0.35 4.42 0.20 -1.26 -0.20 118.68 126.34 1x53 s LEU 46 Ca 0.10 0.12 0.00 0.00 0.69 0.00 0.00 54.13 55.04 1x53 s LEU 46 Cb -0.18 -1.80 0.11 0.00 -0.43 0.00 0.00 46.19 43.89 1x53 s LEU 46 CO -0.18 0.37 0.15 -1.61 -0.29 0.00 0.00 176.35 174.78 1x53 s GLU 47 N -0.84 0.92 -0.63 1.98 0.41 -1.07 -4.12 118.70 115.35 1x53 s GLU 47 Ca 0.13 -1.42 -0.26 0.00 -0.41 0.00 0.00 54.97 53.01 1x53 s GLU 47 Cb -0.11 -2.11 -0.09 0.00 -1.78 0.00 0.00 34.13 30.04 1x53 s GLU 47 CO 0.02 -1.05 2.33 0.00 -0.49 0.00 0.00 175.26 176.07 1x53 s ALA 48 N 1.16 1.36 -0.26 5.21 0.00 -1.26 -4.32 121.76 123.64 1x53 s ALA 48 Ca 0.13 -0.42 -0.28 0.00 0.00 0.00 0.00 51.96 51.38 1x53 s ALA 48 Cb -0.20 -4.44 0.17 0.00 0.00 0.00 0.00 23.12 18.65 1x53 s ALA 48 CO -0.15 -4.94 1.25 -0.51 0.00 0.00 0.00 175.76 171.41 1x53 s ASP 49 N 11.10 -0.17 -0.54 0.00 1.01 -1.26 -5.01 116.67 121.79 1x53 s ASP 49 Ca 0.91 0.25 -0.26 0.00 0.71 0.00 0.00 52.55 54.16 1x53 s ASP 49 Cb -0.14 0.22 -0.08 0.00 1.01 0.00 0.00 42.92 43.93 1x53 s ASP 49 CO 0.18 -0.12 2.42 0.54 0.21 0.00 0.00 175.17 178.40 1x53 n ARG 50 N 1.05 0.96 0.00 8.23 1.74 -1.26 -0.20 116.66 127.18 1x53 n ARG 50 Ca -0.07 -0.14 0.00 0.00 -0.77 0.00 0.00 57.85 56.87 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 6.14 0.73 3.34 -0.13 0.00 0.63 -4.96 105.19 110.94 1x53 n GLY 51 Ca 0.39 0.00 -0.29 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 -1.30 1.45 -0.08 -0.02 0.00 0.73 -4.36 107.32 103.74 1x53 s GLY 52 Ca 0.00 -0.51 0.05 0.00 0.00 0.00 0.00 44.72 44.25 1x53 s GLY 52 CO 0.00 0.40 -0.22 0.54 0.00 0.00 0.00 173.10 173.82 1x53 s LYS 53 N -4.75 2.76 -0.19 2.90 3.01 -1.26 -1.54 119.74 120.67 1x53 s LYS 53 Ca 0.69 -0.84 0.01 0.00 -1.01 0.00 0.00 55.97 54.81 1x53 s LYS 53 Cb -0.19 -2.28 0.03 0.00 -1.01 0.00 0.00 37.83 34.38 1x53 s LYS 53 CO 0.61 0.35 -0.15 -0.59 0.51 0.00 0.00 175.35 176.08 1x53 s PHE 54 N -0.06 2.64 -0.05 3.18 -0.12 -1.23 -2.61 117.98 119.73 1x53 s PHE 54 Ca -0.06 -1.65 0.05 0.00 -0.05 0.00 0.00 56.93 55.22 1x53 s PHE 54 Cb -0.14 -1.79 -0.02 0.00 -0.63 0.00 0.00 43.02 40.44 1x53 s PHE 54 CO 0.05 -0.78 -0.22 -1.58 -0.05 0.00 0.00 175.22 172.64 1x53 s HIS 55 N 1.33 2.51 0.32 3.49 2.46 0.72 -2.45 115.29 123.67 1x53 s HIS 55 Ca 0.01 -0.53 -0.01 0.00 0.47 0.00 0.00 55.06 55.01 1x53 s HIS 55 Cb -0.15 -1.61 -0.01 0.00 -0.13 0.00 0.00 32.58 30.69 1x53 s HIS 55 CO -0.10 -0.09 0.41 0.00 -2.47 0.00 0.00 174.74 172.49 1x53 s MET 56 N -0.34 1.80 -1.11 2.88 0.23 0.37 0.61 119.30 123.75 1x53 s MET 56 Ca 0.02 -1.77 -0.03 0.00 -1.03 0.00 0.00 55.69 52.89 1x53 s MET 56 Cb -0.12 0.41 0.00 0.00 -1.53 0.00 0.00 34.83 33.59 1x53 s MET 56 CO 0.02 -0.72 0.94 0.28 -2.03 0.00 0.00 175.02 173.51 1x53 n VAL 57 N -0.54 -4.45 -2.23 5.16 0.31 -1.26 -1.09 118.33 114.22 1x53 n VAL 57 Ca 0.02 -0.30 -0.19 0.00 -0.01 0.00 0.00 64.34 63.86 1x53 n VAL 57 Cb 0.62 -4.39 -0.02 0.00 -0.91 0.00 0.00 33.84 29.14 1x53 n VAL 57 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1x53 n ASP 58 N -2.76 -5.52 -0.03 4.52 -0.08 -1.25 -1.92 116.55 109.51 1x53 n ASP 58 Ca -0.17 0.06 0.00 0.00 -1.51 0.00 0.00 54.79 53.17 1x53 n ASP 58 Cb 0.62 -4.58 0.00 0.00 2.34 0.00 0.00 41.12 39.50 1x53 n ASP 58 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1x53 n GLY 59 N -0.95 0.57 0.01 0.27 0.00 -0.89 -4.86 105.19 99.34 1x53 n GLY 59 Ca -0.22 -0.78 0.10 0.00 0.00 0.00 0.00 46.02 45.11 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 1.76 0.39 -3.87 1.61 3.02 -0.25 -4.76 115.26 113.16 1x53 n ASN 60 Ca 0.00 -0.13 -0.27 0.00 -0.03 0.00 0.00 54.58 54.14 1x53 n ASN 60 Cb 0.45 1.81 -0.17 0.00 -0.61 0.00 0.00 39.78 41.26 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 -3.35 1.00 0.44 2.41 1.01 -0.54 0.12 120.40 121.49 1x53 s VAL 61 Ca -0.05 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 61.45 1x53 s VAL 61 Cb 0.13 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 1x53 s VAL 61 CO 0.85 0.16 0.04 -0.94 0.00 0.00 0.00 175.10 175.20 1x53 s SER 62 N 1.69 3.58 0.00 3.32 1.04 -1.16 -0.47 113.70 121.69 1x53 s SER 62 Ca 0.02 -1.56 0.00 0.00 0.48 0.00 0.00 55.95 54.89 1x53 s SER 62 Cb -0.15 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.21 1x53 s SER 62 CO -0.08 -0.75 0.00 0.61 0.98 0.00 0.00 173.24 174.01 1x53 n GLY 63 N -1.05 0.72 3.35 7.32 0.00 -1.03 -2.86 105.19 111.65 1x53 n GLY 63 Ca -0.11 -0.67 -0.12 0.00 0.00 0.00 0.00 46.02 45.12 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 0.02 0.51 -0.10 1.61 -1.05 -1.23 -3.49 118.70 114.97 1x53 s GLU 64 Ca 0.00 0.71 -0.30 0.00 -0.15 0.00 0.00 54.97 55.24 1x53 s GLU 64 Cb 0.00 0.18 -0.01 0.00 -0.44 0.00 0.00 34.13 33.86 1x53 s GLU 64 CO 0.00 -0.09 1.04 -0.06 0.95 0.00 0.00 175.26 177.09 1x53 s PHE 65 N 0.62 3.46 -0.14 4.83 0.40 -0.59 -0.89 117.98 125.67 1x53 s PHE 65 Ca -0.03 1.54 0.08 0.00 -0.60 0.00 0.00 56.93 57.91 1x53 s PHE 65 Cb -0.05 -3.22 -0.14 0.00 0.51 0.00 0.00 43.02 40.12 1x53 s PHE 65 CO -0.04 -0.39 -0.02 0.25 0.70 0.00 0.00 175.22 175.72 1x53 n THR 66 N 4.58 0.89 -3.85 0.64 -2.24 0.12 0.23 114.28 114.65 1x53 n THR 66 Ca 0.09 -0.47 -0.12 0.00 -2.27 0.00 0.00 64.05 61.28 1x53 n THR 66 Cb 0.48 -0.81 -0.12 0.00 -2.10 0.00 0.00 70.33 67.78 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 -4.91 -0.06 -0.22 3.42 -1.08 -0.50 -4.79 116.67 108.53 1x53 s ASP 67 Ca -0.12 0.09 -0.04 0.00 -0.52 0.00 0.00 52.55 51.97 1x53 s ASP 67 Cb 0.04 0.22 0.10 0.00 -1.46 0.00 0.00 42.92 41.82 1x53 s ASP 67 CO 0.47 -0.13 0.20 -0.76 0.52 0.00 0.00 175.17 175.48 1x53 s LEU 68 N -0.35 0.00 -0.08 -1.34 1.43 -1.26 -1.67 118.68 115.41 1x53 s LEU 68 Ca -0.04 -0.48 -0.01 0.00 -1.03 0.00 0.00 54.13 52.57 1x53 s LEU 68 Cb -0.03 0.24 -0.03 0.00 0.03 0.00 0.00 46.19 46.40 1x53 s LEU 68 CO 0.00 -0.35 -0.04 -0.69 0.23 0.00 0.00 176.35 175.50 1x53 s VAL 69 N 2.28 3.93 -0.37 -1.59 1.01 -0.86 -5.04 120.40 119.77 1x53 s VAL 69 Ca 0.07 -0.39 -0.38 0.00 0.00 0.00 0.00 61.98 61.28 1x53 s VAL 69 Cb -0.16 -2.63 -0.14 0.00 0.00 0.00 0.00 36.38 33.45 1x53 s VAL 69 CO -0.18 0.59 2.09 -2.65 0.00 0.00 0.00 175.10 174.95 1x53 n PRO 70 N 2.33 0.86 -3.37 2.72 -0.02 -1.26 -2.18 135.00 134.09 1x53 n PRO 70 Ca -0.18 0.25 -0.17 0.00 -2.02 0.00 0.00 63.50 61.38 1x53 n PRO 70 Cb 0.53 -2.18 -0.05 0.00 -0.02 0.00 0.00 33.50 31.78 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 7.47 -0.95 0.07 -0.52 1.02 -1.26 -4.67 120.64 121.80 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 -1.93 0.00 0.00 -0.02 0.00 0.00 31.44 29.64 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 -0.93 -4.79 118.16 114.63 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 34.98 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 -0.33 -0.03 2.13 -3.43 -1.24 -1.77 115.29 108.62 1x53 s HIS 73 Ca 0.00 0.11 -0.01 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 -0.76 0.03 0.42 -2.00 0.00 0.00 174.74 172.44 1x53 s ILE 74 N -3.40 -0.03 -0.19 -5.38 1.01 0.11 -2.02 121.20 111.30 1x53 s ILE 74 Ca 0.06 0.26 -0.01 0.00 0.00 0.00 0.00 60.65 60.96 1x53 s ILE 74 Cb -0.02 -0.14 0.01 0.00 0.01 0.00 0.00 42.46 42.32 1x53 s ILE 74 CO -0.06 0.13 -0.15 -0.69 0.00 0.00 0.00 174.94 174.17 1x53 s VAL 75 N 1.41 2.52 0.27 2.92 1.01 -0.67 0.41 120.40 128.26 1x53 s VAL 75 Ca -0.05 -0.78 -0.11 0.00 0.00 0.00 0.00 61.98 61.04 1x53 s VAL 75 Cb -0.13 -2.09 -0.00 0.00 0.00 0.00 0.00 36.38 34.16 1x53 s VAL 75 CO -0.03 0.50 0.47 0.00 0.00 0.00 0.00 175.10 176.04 1x53 s MET 76 N 1.34 1.61 0.24 2.72 0.23 0.00 0.15 119.30 125.59 1x53 s MET 76 Ca 0.05 -1.36 -0.07 0.00 -1.03 0.00 0.00 55.69 53.28 1x53 s MET 76 Cb -0.13 0.46 -0.06 0.00 -1.53 0.00 0.00 34.83 33.56 1x53 s MET 76 CO -0.09 -0.67 0.52 0.15 -2.03 0.00 0.00 175.02 172.90 1x53 s LYS 77 N -3.80 3.71 -0.00 3.16 1.02 -0.07 -0.52 119.74 123.23 1x53 s LYS 77 Ca 0.24 0.12 0.01 0.00 0.02 0.00 0.00 55.97 56.36 1x53 s LYS 77 Cb -0.00 -2.68 -0.00 0.00 -0.52 0.00 0.00 37.83 34.62 1x53 s LYS 77 CO 0.11 0.31 -0.03 -0.46 -0.92 0.00 0.00 175.35 174.35 1x53 s TRP 78 N -1.88 0.31 0.08 3.18 -0.00 0.10 -3.54 118.94 117.19 1x53 s TRP 78 Ca 0.45 -0.08 -0.27 0.00 -0.00 0.00 0.00 56.10 56.20 1x53 s TRP 78 Cb -0.11 -0.20 0.08 0.00 -0.00 0.00 0.00 33.47 33.24 1x53 s TRP 78 CO 0.25 -0.01 1.03 -0.98 -0.00 0.00 0.00 176.95 177.23 1x53 s ARG 79 N -0.15 0.95 0.36 5.86 1.70 -1.13 0.23 118.95 126.76 1x53 s ARG 79 Ca 0.01 -0.50 0.07 0.00 -0.47 0.00 0.00 55.73 54.84 1x53 s ARG 79 Cb -0.02 0.34 -0.01 0.00 -0.57 0.00 0.00 34.95 34.70 1x53 s ARG 79 CO -0.00 -0.43 0.48 -0.06 -1.08 0.00 0.00 175.30 174.20 1x53 s PHE 80 N -3.06 3.00 -1.80 5.89 0.08 -1.26 -2.96 117.98 117.87 1x53 s PHE 80 Ca 0.12 -0.29 0.29 0.00 0.12 0.00 0.00 56.93 57.16 1x53 s PHE 80 Cb -0.00 -2.09 1.62 0.00 -0.57 0.00 0.00 43.02 41.98 1x53 s PHE 80 CO -0.01 -0.11 2.03 1.17 -0.10 0.00 0.00 175.22 178.21 1x53 n LYS 81 N -1.67 0.73 -0.04 0.44 0.00 0.33 -2.79 118.16 115.17 1x53 n LYS 81 Ca 0.02 0.01 0.05 0.00 0.00 0.00 0.00 58.31 58.39 1x53 n LYS 81 Cb 0.59 -1.50 0.07 0.00 0.00 0.00 0.00 35.03 34.18 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 2.14 -4.87 3.14 2.88 -1.26 -5.05 113.62 109.49 1x53 n SER 82 Ca 0.19 -2.52 -0.30 0.00 -1.33 0.00 0.00 58.87 54.91 1x53 n SER 82 Cb 0.14 -0.21 -0.01 0.00 -0.75 0.00 0.00 64.21 63.38 1x53 n SER 82 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 1x53 s TRP 83 N -1.89 3.54 1.01 0.66 0.52 -1.12 -5.04 118.94 116.62 1x53 s TRP 83 Ca 0.15 1.16 -0.14 0.00 0.02 0.00 0.00 56.10 57.30 1x53 s TRP 83 Cb 0.14 -2.58 0.09 0.00 -1.15 0.00 0.00 33.47 29.97 1x53 s TRP 83 CO 0.01 -0.39 0.44 -2.30 0.02 0.00 0.00 176.95 174.74 1x53 n PRO 84 N -2.03 -0.87 -2.11 4.98 -0.02 -1.26 -4.90 135.00 128.78 1x53 n PRO 84 Ca 0.04 -0.22 -0.41 0.00 -2.02 0.00 0.00 63.50 60.89 1x53 n PRO 84 Cb 0.54 -1.90 -0.03 0.00 -0.02 0.00 0.00 33.50 32.09 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 -3.77 4.32 -1.18 -0.52 2.12 -1.26 -3.40 118.70 115.01 1x53 s GLU 85 Ca 0.59 2.18 -0.09 0.00 0.36 0.00 0.00 54.97 58.00 1x53 s GLU 85 Cb -0.19 -3.16 -0.02 0.00 0.26 0.00 0.00 34.13 31.02 1x53 s GLU 85 CO 0.66 -0.35 0.79 0.41 -0.54 0.00 0.00 175.26 176.23 1x53 n GLY 86 N 2.39 -0.77 2.64 -1.50 0.00 -1.26 -5.00 105.19 101.69 1x53 n GLY 86 Ca 0.07 0.37 -0.24 0.00 0.00 0.00 0.00 46.02 46.22 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 -3.52 0.03 0.40 1.61 5.04 -1.22 -5.14 115.29 112.48 1x53 s HIS 87 Ca 0.29 -0.36 0.04 0.00 -1.54 0.00 0.00 55.06 53.49 1x53 s HIS 87 Cb -0.08 -0.65 -0.04 0.00 0.04 0.00 0.00 32.58 31.85 1x53 s HIS 87 CO 0.81 -0.70 0.06 -0.06 -2.34 0.00 0.00 174.74 172.51 1x53 s PHE 88 N 2.20 1.96 -0.06 3.88 0.40 -1.26 -4.78 117.98 120.32 1x53 s PHE 88 Ca 0.07 -1.02 0.04 0.00 -0.60 0.00 0.00 56.93 55.41 1x53 s PHE 88 Cb -0.16 -1.38 -0.00 0.00 0.51 0.00 0.00 43.02 42.00 1x53 s PHE 88 CO -0.23 0.01 -0.18 0.00 0.70 0.00 0.00 175.22 175.52 1x53 s ALA 89 N -3.11 1.65 -0.30 5.36 0.00 0.14 -4.75 121.76 120.75 1x53 s ALA 89 Ca 0.26 -0.73 -0.29 0.00 0.00 0.00 0.00 51.96 51.20 1x53 s ALA 89 Cb 0.06 -0.57 0.01 0.00 0.00 0.00 0.00 23.12 22.61 1x53 s ALA 89 CO 0.13 0.27 1.17 0.99 0.00 0.00 0.00 175.76 178.32 1x53 s THR 90 N 0.14 4.36 -0.14 0.00 2.01 -1.03 0.00 115.64 120.99 1x53 s THR 90 Ca -0.07 1.56 0.02 0.00 0.31 0.00 0.00 61.69 63.51 1x53 s THR 90 Cb -0.13 -4.29 0.00 0.00 0.01 0.00 0.00 72.50 68.09 1x53 s THR 90 CO 0.03 -0.45 -0.20 -0.63 -0.69 0.00 0.00 174.62 172.68 1x53 s ILE 91 N 3.89 2.27 -0.34 1.82 1.09 0.32 -1.32 121.20 128.93 1x53 s ILE 91 Ca 0.50 -0.92 0.03 0.00 -1.10 0.00 0.00 60.65 59.16 1x53 s ILE 91 Cb -0.14 -1.92 0.10 0.00 -1.06 0.00 0.00 42.46 39.44 1x53 s ILE 91 CO 0.18 0.54 0.07 -0.89 -0.10 0.00 0.00 174.94 174.74 1x53 s THR 92 N 0.72 1.94 0.38 2.92 2.01 -0.85 -0.82 115.64 121.94 1x53 s THR 92 Ca -0.09 -2.16 -0.13 0.00 0.31 0.00 0.00 61.69 59.63 1x53 s THR 92 Cb -0.16 -2.44 -0.07 0.00 0.01 0.00 0.00 72.50 69.84 1x53 s THR 92 CO 0.01 -0.63 0.77 -0.76 -0.69 0.00 0.00 174.62 173.31 1x53 s LEU 93 N 1.02 3.91 -0.01 4.42 1.43 0.17 -2.89 118.68 126.72 1x53 s LEU 93 Ca 0.11 1.21 0.00 0.00 -1.03 0.00 0.00 54.13 54.42 1x53 s LEU 93 Cb -0.19 -4.06 0.02 0.00 0.03 0.00 0.00 46.19 41.99 1x53 s LEU 93 CO -0.12 -0.33 0.02 -0.89 0.23 0.00 0.00 176.35 175.26 1x53 s THR 94 N -2.23 -0.03 -0.23 5.49 2.01 -1.16 0.05 115.64 119.54 1x53 s THR 94 Ca 0.53 0.13 -0.07 0.00 0.31 0.00 0.00 61.69 62.59 1x53 s THR 94 Cb -0.10 -0.06 -0.03 0.00 0.01 0.00 0.00 72.50 72.32 1x53 s THR 94 CO 0.26 0.06 0.07 -0.36 -0.69 0.00 0.00 174.62 173.95 1x53 s PHE 95 N 0.68 3.12 0.17 4.92 0.40 -0.73 -2.11 117.98 124.43 1x53 s PHE 95 Ca -0.06 -0.29 0.08 0.00 -0.60 0.00 0.00 56.93 56.07 1x53 s PHE 95 Cb -0.08 -2.19 -0.04 0.00 0.51 0.00 0.00 43.02 41.21 1x53 s PHE 95 CO -0.02 -0.22 -0.08 0.42 0.70 0.00 0.00 175.22 176.02 1x53 s ILE 96 N 1.29 3.31 -0.20 0.64 1.01 -1.16 -4.68 121.20 121.40 1x53 s ILE 96 Ca 0.05 -1.58 -0.09 0.00 0.00 0.00 0.00 60.65 59.02 1x53 s ILE 96 Cb -0.15 -2.64 -0.05 0.00 0.01 0.00 0.00 42.46 39.64 1x53 s ILE 96 CO 0.03 -0.09 0.12 -0.62 0.00 0.00 0.00 174.94 174.38 1x53 s ASP 97 N -2.81 6.02 -0.03 3.58 2.15 -1.26 -2.84 116.67 121.48 1x53 s ASP 97 Ca 0.25 0.16 0.04 0.00 0.43 0.00 0.00 52.55 53.43 1x53 s ASP 97 Cb -0.09 -2.06 0.07 0.00 -0.30 0.00 0.00 42.92 40.54 1x53 s ASP 97 CO 0.16 0.15 0.94 0.29 -0.17 0.00 0.00 175.17 176.54 1x53 n LYS 98 N 3.69 1.80 -2.53 4.34 4.76 -0.70 -4.98 118.16 124.55 1x53 n LYS 98 Ca -0.16 -1.52 -0.07 0.00 -2.87 0.00 0.00 58.31 53.70 1x53 n LYS 98 Cb 0.52 -0.98 0.03 0.00 -1.84 0.00 0.00 35.03 32.77 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 -0.58 -2.22 0.00 4.39 5.15 -1.26 -4.43 115.26 116.31 1x53 n ASN 99 Ca 0.04 -0.25 0.00 0.00 -0.60 0.00 0.00 54.58 53.77 1x53 n ASN 99 Cb 0.42 -2.35 0.00 0.00 -0.53 0.00 0.00 39.78 37.32 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 -1.09 1.68 3.33 8.20 0.00 -1.26 -5.12 105.19 110.93 1x53 n GLY 100 Ca -0.11 -0.08 -0.18 0.00 0.00 0.00 0.00 46.02 45.65 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 1.29 -0.11 1.61 2.02 -1.26 -3.18 118.70 119.07 1x53 s GLU 101 Ca 0.00 -1.56 0.03 0.00 0.02 0.00 0.00 54.97 53.46 1x53 s GLU 101 Cb 0.00 -1.06 0.01 0.00 0.10 0.00 0.00 34.13 33.18 1x53 s GLU 101 CO 0.00 0.17 -0.22 0.99 0.02 0.00 0.00 175.26 176.23 1x53 s THR 102 N -3.00 1.94 -0.59 3.63 2.01 0.82 -1.71 115.64 118.73 1x53 s THR 102 Ca 0.21 -0.93 -0.21 0.00 0.31 0.00 0.00 61.69 61.08 1x53 s THR 102 Cb -0.00 -1.70 0.08 0.00 0.01 0.00 0.00 72.50 70.89 1x53 s THR 102 CO 0.06 0.53 0.79 -0.70 -0.69 0.00 0.00 174.62 174.61 1x53 s GLU 103 N 0.58 3.11 -0.55 4.92 2.12 -1.13 -0.12 118.70 127.63 1x53 s GLU 103 Ca -0.14 -0.98 -0.25 0.00 0.36 0.00 0.00 54.97 53.97 1x53 s GLU 103 Cb -0.17 -4.20 0.04 0.00 0.26 0.00 0.00 34.13 30.06 1x53 s GLU 103 CO 0.04 -1.56 0.98 -1.17 -0.54 0.00 0.00 175.26 173.01 1x53 s LEU 104 N 3.23 4.00 -0.74 2.70 2.96 -0.14 -2.97 118.68 127.71 1x53 s LEU 104 Ca 0.17 -0.24 -0.16 0.00 -0.22 0.00 0.00 54.13 53.69 1x53 s LEU 104 Cb -0.20 -2.91 0.18 0.00 0.50 0.00 0.00 46.19 43.76 1x53 s LEU 104 CO 0.10 -1.25 0.73 0.00 -1.32 0.00 0.00 176.35 174.61 1x53 s MET 106 N 1.05 4.62 -0.32 0.00 1.75 0.47 -3.00 119.30 123.88 1x53 s MET 106 Ca 0.15 1.24 -0.01 0.00 -1.25 0.00 0.00 55.69 55.82 1x53 s MET 106 Cb -0.16 -3.30 0.11 0.00 2.84 0.00 0.00 34.83 34.32 1x53 s MET 106 CO -0.04 0.46 0.13 -2.00 -0.65 0.00 0.00 175.02 172.92 1x53 s GLU 107 N -0.80 0.62 -0.15 4.11 2.12 -1.14 -1.72 118.70 121.74 1x53 s GLU 107 Ca 0.39 -1.07 -0.07 0.00 0.36 0.00 0.00 54.97 54.58 1x53 s GLU 107 Cb -0.23 -1.74 -0.04 0.00 0.26 0.00 0.00 34.13 32.38 1x53 s GLU 107 CO 0.27 -1.04 0.08 0.20 -0.54 0.00 0.00 175.26 174.23 1x53 s GLY 108 N 1.54 1.98 -0.15 -1.50 0.00 -0.99 -2.01 107.32 106.20 1x53 s GLY 108 Ca 0.11 -0.72 -0.04 0.00 0.00 0.00 0.00 44.72 44.07 1x53 s GLY 108 CO -0.23 -0.17 0.11 1.09 0.00 0.00 0.00 173.10 173.91 1x53 s ARG 109 N -0.24 0.06 0.00 2.90 1.70 -0.43 0.15 118.95 123.10 1x53 s ARG 109 Ca 0.09 0.08 0.00 0.00 -0.47 0.00 0.00 55.73 55.42 1x53 s ARG 109 Cb -0.12 -1.43 0.00 0.00 -0.57 0.00 0.00 34.95 32.83 1x53 s ARG 109 CO 0.01 -0.60 0.00 0.41 -1.08 0.00 0.00 175.30 174.05 1x53 n GLY 110 N 5.29 0.26 3.67 3.88 0.00 -1.11 -2.47 105.19 114.71 1x53 n GLY 110 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.10 4.09 -0.19 -0.61 1.09 -1.13 -4.59 121.20 118.77 1x53 s ILE 111 Ca 0.00 1.35 -0.39 0.00 -1.10 0.00 0.00 60.65 60.51 1x53 s ILE 111 Cb 0.00 -3.87 -0.16 0.00 -1.06 0.00 0.00 42.46 37.37 1x53 s ILE 111 CO 0.00 -0.09 1.65 -2.65 -0.10 0.00 0.00 174.94 173.75 1x53 n PRO 112 N 6.37 1.15 -0.25 2.79 -0.02 -1.26 -0.25 135.00 143.53 1x53 n PRO 112 Ca 0.14 0.42 0.05 0.00 -2.02 0.00 0.00 63.50 62.09 1x53 n PRO 112 Cb 0.45 -2.10 0.17 0.00 -0.02 0.00 0.00 33.50 32.00 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 6.58 0.87 0.00 3.55 0.00 -0.87 1.31 119.26 130.70 1x53 h ALA 113 Ca -0.47 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1x53 h ALA 113 Cb 1.32 0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1x53 h ALA 113 CO 0.92 -0.39 0.16 -1.35 0.00 0.00 0.00 179.25 178.59 1x53 h PRO 114 N 0.18 0.00 0.00 0.00 0.11 -1.89 -1.24 132.00 129.17 1x53 h PRO 114 Ca 0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.52 1x53 h PRO 114 Cb 0.72 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.83 1x53 h PRO 114 CO -0.58 0.00 -0.87 0.39 -0.21 0.00 0.00 178.00 176.73 1x53 n GLU 115 N -2.84 1.94 -0.24 1.05 -0.58 0.16 -4.71 120.64 115.42 1x53 n GLU 115 Ca -0.02 -0.03 0.10 0.00 -0.42 0.00 0.00 57.16 56.79 1x53 n GLU 115 Cb 0.22 -0.97 0.20 0.00 -0.57 0.00 0.00 31.44 30.32 1x53 n GLU 115 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1x53 n GLU 116 N -1.47 -0.06 0.18 3.49 2.13 0.40 -0.16 120.64 125.16 1x53 n GLU 116 Ca -0.00 1.05 -0.07 0.00 0.66 0.00 0.00 57.16 58.79 1x53 n GLU 116 Cb 0.10 -1.66 -0.04 0.00 0.27 0.00 0.00 31.44 30.12 1x53 n GLU 116 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1x53 h GLU 117 N 0.00 -0.46 -0.82 5.31 4.81 -1.84 -2.89 114.58 118.68 1x53 h GLU 117 Ca 0.42 0.03 0.17 0.00 -0.13 0.00 0.00 59.36 59.85 1x53 h GLU 117 Cb 0.86 0.11 -0.16 0.00 0.63 0.00 0.00 28.75 30.19 1x53 h GLU 117 CO -0.66 -0.31 -0.17 -0.09 -0.73 0.00 0.00 179.01 177.05 1x53 h ARG 118 N -0.64 0.01 0.00 1.92 2.43 -1.12 0.13 114.38 117.10 1x53 h ARG 118 Ca -0.05 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1x53 h ARG 118 Cb 0.37 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1x53 h ARG 118 CO 0.08 0.01 0.00 0.25 -1.51 0.00 0.00 179.97 178.80 1x53 n THR 119 N -5.51 0.00 0.08 0.20 -2.24 0.78 0.17 114.28 107.76 1x53 n THR 119 Ca 0.13 1.44 0.20 0.00 -2.27 0.00 0.00 64.05 63.56 1x53 n THR 119 Cb 0.44 -2.17 0.74 0.00 -2.10 0.00 0.00 70.33 67.24 1x53 n THR 119 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1x53 h ARG 120 N 0.00 0.00 0.00 -0.78 2.43 -1.20 1.62 114.38 116.45 1x53 h ARG 120 Ca 0.00 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 1x53 h ARG 120 Cb 0.00 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1x53 h ARG 120 CO 0.00 0.00 -0.38 1.96 -1.51 0.00 0.00 179.97 180.04 1x53 h GLN 121 N 0.00 0.00 0.00 0.20 1.08 0.91 -3.30 115.11 114.00 1x53 h GLN 121 Ca 0.20 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.40 1x53 h GLN 121 Cb 1.11 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.54 1x53 h GLN 121 CO -0.00 0.38 -0.08 0.41 -0.95 0.00 0.00 178.83 178.59 1x53 n GLY 122 N 0.83 2.43 0.01 3.46 0.00 0.22 -4.62 105.19 107.52 1x53 n GLY 122 Ca 0.01 -0.41 -0.01 0.00 0.00 0.00 0.00 46.02 45.62 1x53 n GLY 122 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1x53 h TRP 123 N 0.00 0.00 -0.43 1.61 7.01 0.19 -3.39 115.95 120.94 1x53 h TRP 123 Ca 0.00 0.00 -0.09 0.00 2.11 0.00 0.00 58.89 60.91 1x53 h TRP 123 Cb 0.89 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.93 1x53 h TRP 123 CO 0.02 0.00 -0.11 1.96 -2.79 0.00 0.00 178.44 177.52 1x53 h GLN 124 N -0.23 0.78 -0.73 2.65 4.20 -1.82 0.17 115.11 120.12 1x53 h GLN 124 Ca 0.00 -0.25 0.21 0.00 0.06 0.00 0.00 58.65 58.67 1x53 h GLN 124 Cb 0.07 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.76 1x53 h GLN 124 CO 0.00 0.85 0.92 0.00 -0.67 0.00 0.00 178.83 179.94 1x53 h ARG 125 N 0.70 0.00 0.00 1.46 2.47 -1.82 0.27 114.38 117.46 1x53 h ARG 125 Ca 0.12 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.80 1x53 h ARG 125 Cb 0.58 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.90 1x53 h ARG 125 CO 0.04 0.00 -1.16 0.66 0.56 0.00 0.00 179.97 180.07 1x53 n TYR 126 N -3.33 0.00 0.16 3.04 4.01 -1.04 -3.32 117.16 116.69 1x53 n TYR 126 Ca 0.16 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.82 1x53 n TYR 126 Cb 1.16 -0.11 -0.04 0.00 -0.31 0.00 0.00 39.34 40.05 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 -0.03 -0.49 0.00 -0.72 -1.99 -0.07 -3.15 116.97 110.52 1x53 h TYR 127 Ca -0.07 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.66 1x53 h TYR 127 Cb 1.09 0.17 0.00 0.00 2.00 0.00 0.00 36.73 39.99 1x53 h TYR 127 CO -0.00 -0.27 -0.09 1.19 -0.00 0.00 0.00 178.16 178.98 1x53 n PHE 128 N -3.40 0.10 -0.35 4.88 3.72 -0.43 -3.69 117.46 118.30 1x53 n PHE 128 Ca -0.06 0.04 0.29 0.00 -0.05 0.00 0.00 57.45 57.68 1x53 n PHE 128 Cb 0.19 -0.26 0.48 0.00 -0.94 0.00 0.00 39.48 38.95 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 -2.65 -0.02 0.02 -1.08 1.02 0.82 0.13 120.64 118.87 1x53 n GLU 129 Ca -0.01 0.86 -0.12 0.00 -0.02 0.00 0.00 57.16 57.86 1x53 n GLU 129 Cb 0.05 -1.72 -0.09 0.00 -0.02 0.00 0.00 31.44 29.66 1x53 n GLU 129 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1x53 h GLY 130 N 0.00 -0.12 0.57 0.62 0.00 -1.54 -3.25 103.07 99.35 1x53 h GLY 130 Ca 0.62 0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.98 1x53 h GLY 130 CO -0.29 -0.04 -0.02 -2.22 0.00 0.00 0.00 176.54 173.97 1x53 h ILE 131 N -0.76 1.36 -1.37 2.60 2.04 0.94 0.33 117.51 122.66 1x53 h ILE 131 Ca -0.01 -1.11 0.47 0.00 1.00 0.00 0.00 64.86 65.21 1x53 h ILE 131 Cb 0.58 2.06 -0.14 0.00 -0.74 0.00 0.00 36.82 38.58 1x53 h ILE 131 CO 0.02 0.30 0.87 0.11 0.00 0.00 0.00 178.15 179.45 1x53 h LYS 132 N -0.39 0.02 0.00 2.37 1.57 -0.38 0.58 116.57 120.34 1x53 h LYS 132 Ca 0.00 -0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.49 1x53 h LYS 132 Cb 0.49 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.75 1x53 h LYS 132 CO 0.01 0.01 -1.84 1.04 -0.57 0.00 0.00 179.45 178.09 1x53 n GLN 133 N -4.74 0.56 -0.04 3.15 6.02 -1.17 -0.19 117.38 120.97 1x53 n GLN 133 Ca 0.40 0.33 -0.09 0.00 -0.01 0.00 0.00 57.00 57.62 1x53 n GLN 133 Cb 1.54 -1.54 -0.03 0.00 1.02 0.00 0.00 30.24 31.23 1x53 n GLN 133 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 1x53 h THR 134 N -1.00 0.30 0.00 5.09 2.02 0.54 -2.50 112.91 117.36 1x53 h THR 134 Ca -0.44 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.74 1x53 h THR 134 Cb 1.35 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 1x53 h THR 134 CO -0.27 0.00 -1.09 0.49 0.37 0.00 0.00 175.52 175.03 1x53 n PHE 135 N -5.40 0.72 -2.08 3.16 3.01 0.19 -4.99 117.46 112.07 1x53 n PHE 135 Ca -0.02 0.21 0.00 0.00 1.01 0.00 0.00 57.45 58.65 1x53 n PHE 135 Cb 0.32 -0.80 0.00 0.00 -0.01 0.00 0.00 39.48 38.99 1x53 n PHE 135 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1x53 n GLY 136 N 1.23 0.70 1.27 1.37 0.00 -0.67 -4.98 105.19 104.12 1x53 n GLY 136 Ca 0.00 -0.54 0.09 0.00 0.00 0.00 0.00 46.02 45.57 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 1.14 -4.00 1.61 4.01 0.74 -4.77 117.16 114.28 1x53 n TYR 137 Ca 0.00 -0.61 -0.23 0.00 -0.16 0.00 0.00 57.90 56.90 1x53 n TYR 137 Cb 0.46 -0.18 -0.03 0.00 -0.31 0.00 0.00 39.34 39.28 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 -1.08 1.45 -0.84 2.72 0.00 -0.50 -0.00 107.32 109.07 1x53 s GLY 138 Ca 0.44 -1.21 0.01 0.00 0.00 0.00 0.00 44.72 43.96 1x53 s GLY 138 CO 0.22 -1.22 0.86 0.00 0.00 0.00 0.00 173.10 172.95 1x53 n ALA 139 N -1.00 4.06 -1.35 3.20 0.00 -1.26 -4.80 120.51 119.35 1x53 n ALA 139 Ca -0.08 -4.67 -0.46 0.00 0.00 0.00 0.00 53.44 48.23 1x53 n ALA 139 Cb 0.56 -1.52 -0.02 0.00 0.00 0.00 0.00 19.45 18.47 1x53 n ALA 139 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1x53 n SER 140 N 1.71 -1.69 -3.78 0.00 3.41 -1.26 -4.97 113.62 107.03 1x53 n SER 140 Ca 0.24 1.03 -0.13 0.00 -0.26 0.00 0.00 58.87 59.75 1x53 n SER 140 Cb 0.37 -0.92 -0.07 0.00 -0.26 0.00 0.00 64.21 63.33 1x53 n SER 140 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x53 s GLY 141 N -0.99 1.40 0.23 5.00 0.00 -1.26 -5.05 107.32 106.65 1x53 s GLY 141 Ca 0.62 -1.53 -0.09 0.00 0.00 0.00 0.00 44.72 43.71 1x53 s GLY 141 CO 0.57 -1.14 1.63 -2.55 0.00 0.00 0.00 173.10 171.61 1x53 h PRO 142 N 2.33 0.07 -5.39 2.90 0.11 -2.01 -3.43 132.00 126.58 1x53 h PRO 142 Ca -0.30 -0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.26 1x53 h PRO 142 Cb 1.24 -0.01 -0.13 0.00 0.11 0.00 0.00 31.00 32.21 1x53 h PRO 142 CO 0.43 0.04 -0.60 0.45 -0.21 0.00 0.00 178.00 178.11 1x53 s SER 143 N -5.21 3.04 -0.98 -2.05 0.15 -1.26 -5.09 113.70 102.31 1x53 s SER 143 Ca -0.14 -1.40 -0.13 0.00 0.70 0.00 0.00 55.95 54.98 1x53 s SER 143 Cb 0.21 -0.16 0.22 0.00 -1.71 0.00 0.00 66.02 64.59 1x53 s SER 143 CO 0.75 -0.57 1.01 -0.55 1.20 0.00 0.00 173.24 175.08 1x53 s SER 144 N -3.59 6.97 0.00 5.45 0.15 -1.26 -5.09 113.70 116.32 1x53 s SER 144 Ca 0.34 -2.94 0.00 0.00 0.70 0.00 0.00 55.95 54.05 1x53 s SER 144 Cb 0.09 -2.26 0.00 0.00 -1.71 0.00 0.00 66.02 62.14 1x53 s SER 144 CO 0.16 -0.57 0.00 0.61 1.20 0.00 0.00 173.24 174.64