#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 6.52 -0.06 1.61 0.01 -1.26 -5.00 113.70 115.52 1x53 s SER 2 Ca 0.00 -2.20 -0.03 0.00 1.31 0.00 0.00 55.95 55.03 1x53 s SER 2 Cb 0.00 -2.25 0.03 0.00 0.21 0.00 0.00 66.02 64.01 1x53 s SER 2 CO 0.00 -0.79 0.13 -0.44 0.41 0.00 0.00 173.24 172.55 1x53 s SER 3 N 2.91 -0.10 0.00 2.44 0.01 -1.26 -5.13 113.70 112.57 1x53 s SER 3 Ca 0.15 0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.67 1x53 s SER 3 Cb -0.16 0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.25 1x53 s SER 3 CO -0.04 -0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.11 1x53 n GLY 4 N 3.84 1.54 2.20 3.44 0.00 -1.26 -5.05 105.19 109.90 1x53 n GLY 4 Ca -0.22 0.47 -0.27 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 5.33 -3.63 1.61 2.88 -1.26 -4.99 113.62 113.56 1x53 n SER 5 Ca 0.00 -3.75 -0.11 0.00 -1.33 0.00 0.00 58.87 53.68 1x53 n SER 5 Cb 0.00 -0.48 -0.07 0.00 -0.75 0.00 0.00 64.21 62.91 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 -3.26 -0.77 0.27 -3.46 0.15 -1.26 -5.15 113.70 100.23 1x53 s SER 6 Ca 0.52 1.38 0.00 0.00 0.70 0.00 0.00 55.95 58.55 1x53 s SER 6 Cb 0.42 1.38 0.00 0.00 -1.71 0.00 0.00 66.02 66.11 1x53 s SER 6 CO -0.04 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.78 1x53 n GLY 7 N 3.15 -0.70 3.59 9.45 0.00 -1.26 -4.76 105.19 114.65 1x53 n GLY 7 Ca -0.16 -0.50 -0.34 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.98 3.96 0.43 -0.61 1.01 -1.26 -5.11 121.20 118.64 1x53 s ILE 8 Ca 0.00 -0.37 -0.21 0.00 0.00 0.00 0.00 60.65 60.08 1x53 s ILE 8 Cb 0.00 -2.67 -0.11 0.00 0.01 0.00 0.00 42.46 39.69 1x53 s ILE 8 CO 0.00 0.57 0.94 -2.16 0.00 0.00 0.00 174.94 174.29 1x53 s PRO 9 N -0.50 4.21 0.30 2.79 0.04 -1.26 -4.98 135.00 135.59 1x53 s PRO 9 Ca 0.08 1.09 0.04 0.00 0.04 0.00 0.00 61.00 62.25 1x53 s PRO 9 Cb -0.12 -2.19 -0.03 0.00 0.04 0.00 0.00 34.50 32.20 1x53 s PRO 9 CO 0.02 -0.03 0.26 0.95 0.04 0.00 0.00 177.00 178.24 1x53 s THR 10 N -2.18 0.00 0.26 1.26 -4.23 -1.26 -0.26 115.64 109.23 1x53 s THR 10 Ca 0.61 -1.95 -0.13 0.00 -1.18 0.00 0.00 61.69 59.04 1x53 s THR 10 Cb -0.09 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 71.24 1x53 s THR 10 CO 0.14 0.00 0.51 0.00 -0.54 0.00 0.00 174.62 174.73 1x53 s LYS 12 N -3.88 3.92 -0.51 0.00 2.20 -1.26 -2.28 119.74 117.92 1x53 s LYS 12 Ca 0.22 0.10 0.03 0.00 -0.36 0.00 0.00 55.97 55.95 1x53 s LYS 12 Cb -0.01 -3.30 0.13 0.00 -1.51 0.00 0.00 37.83 33.14 1x53 s LYS 12 CO 0.10 0.53 0.26 0.42 -0.36 0.00 0.00 175.35 176.30 1x53 s ILE 13 N -0.41 2.77 -0.28 5.43 -1.09 0.95 -4.95 121.20 123.62 1x53 s ILE 13 Ca 0.18 -3.08 -0.09 0.00 -2.23 0.00 0.00 60.65 55.42 1x53 s ILE 13 Cb -0.14 -2.91 -0.02 0.00 -1.58 0.00 0.00 42.46 37.81 1x53 s ILE 13 CO 0.06 -0.78 0.12 -0.89 -1.23 0.00 0.00 174.94 172.22 1x53 s THR 14 N -0.04 4.59 -0.12 2.92 2.01 -1.26 -1.15 115.64 122.59 1x53 s THR 14 Ca 0.16 -0.22 0.01 0.00 0.31 0.00 0.00 61.69 61.95 1x53 s THR 14 Cb -0.24 -3.24 0.02 0.00 0.01 0.00 0.00 72.50 69.05 1x53 s THR 14 CO -0.02 0.21 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.22 1x53 s LEU 15 N 1.64 1.63 -0.37 4.42 1.43 -0.07 -4.98 118.68 122.37 1x53 s LEU 15 Ca 0.06 -0.42 -0.02 0.00 -1.03 0.00 0.00 54.13 52.72 1x53 s LEU 15 Cb -0.16 -1.07 0.09 0.00 0.03 0.00 0.00 46.19 45.08 1x53 s LEU 15 CO 0.06 -0.03 0.13 -0.54 0.23 0.00 0.00 176.35 176.20 1x53 s LYS 16 N 1.23 2.08 0.01 1.70 3.01 -1.26 0.02 119.74 126.53 1x53 s LYS 16 Ca -0.02 -1.66 0.08 0.00 -1.01 0.00 0.00 55.97 53.37 1x53 s LYS 16 Cb -0.14 -3.43 -0.02 0.00 -1.01 0.00 0.00 37.83 33.23 1x53 s LYS 16 CO -0.05 -0.92 -0.24 -2.00 0.51 0.00 0.00 175.35 172.64 1x53 s GLU 17 N 1.15 1.82 0.10 1.68 2.56 -1.05 -4.98 118.70 119.98 1x53 s GLU 17 Ca 0.05 -0.97 -0.09 0.00 0.00 0.00 0.00 54.97 53.96 1x53 s GLU 17 Cb -0.21 -1.87 -0.06 0.00 2.00 0.00 0.00 34.13 33.99 1x53 s GLU 17 CO -0.04 0.50 0.41 0.99 -0.56 0.00 0.00 175.26 176.56 1x53 s THR 18 N -0.69 5.10 -0.03 -1.70 2.01 -1.26 -0.92 115.64 118.15 1x53 s THR 18 Ca 0.10 0.37 0.07 0.00 0.31 0.00 0.00 61.69 62.54 1x53 s THR 18 Cb -0.09 -3.64 -0.02 0.00 0.01 0.00 0.00 72.50 68.76 1x53 s THR 18 CO 0.01 0.21 -0.24 -0.36 -0.69 0.00 0.00 174.62 173.55 1x53 s PHE 19 N -1.48 2.22 -0.03 4.92 0.40 0.17 -4.83 117.98 119.35 1x53 s PHE 19 Ca 0.36 -0.51 -0.00 0.00 -0.60 0.00 0.00 56.93 56.17 1x53 s PHE 19 Cb -0.13 -1.44 0.02 0.00 0.51 0.00 0.00 43.02 41.97 1x53 s PHE 19 CO 0.20 -0.10 1.96 1.28 0.70 0.00 0.00 175.22 179.25 1x53 n LEU 20 N 2.67 5.35 -4.08 -0.37 7.99 -0.97 0.17 117.00 127.75 1x53 n LEU 20 Ca -0.16 -2.45 -0.10 0.00 -0.01 0.00 0.00 56.01 53.29 1x53 n LEU 20 Cb 0.52 -1.10 -0.08 0.00 -0.11 0.00 0.00 43.42 42.65 1x53 n LEU 20 CO 0.24 1.01 -0.11 0.28 -1.51 0.00 0.00 177.39 177.30 1x53 s THR 21 N -0.20 0.04 0.44 -5.08 -1.32 -1.24 -4.85 115.64 103.43 1x53 s THR 21 Ca 0.03 -1.69 -0.20 0.00 -1.21 0.00 0.00 61.69 58.62 1x53 s THR 21 Cb 0.02 -2.14 -0.10 0.00 -1.51 0.00 0.00 72.50 68.76 1x53 s THR 21 CO -0.00 -0.20 0.94 -0.44 -2.21 0.00 0.00 174.62 172.71 1x53 s SER 22 N -3.05 6.88 0.08 8.08 0.01 -1.26 -2.37 113.70 122.07 1x53 s SER 22 Ca 0.26 1.64 -0.24 0.00 1.31 0.00 0.00 55.95 58.92 1x53 s SER 22 Cb 0.05 -2.52 -0.09 0.00 0.21 0.00 0.00 66.02 63.67 1x53 s SER 22 CO 0.06 -0.39 1.39 -0.65 0.41 0.00 0.00 173.24 174.05 1x53 h PRO 23 N 1.77 -0.37 -0.96 12.44 0.11 -1.88 -1.03 132.00 142.09 1x53 h PRO 23 Ca -0.49 0.03 0.37 0.00 0.11 0.00 0.00 66.00 66.02 1x53 h PRO 23 Cb 1.18 0.08 -0.17 0.00 0.11 0.00 0.00 31.00 32.20 1x53 h PRO 23 CO 0.61 -0.25 0.39 -0.85 -0.21 0.00 0.00 178.00 177.69 1x53 n GLU 24 N -4.57 -0.06 0.14 1.05 0.28 -1.26 0.50 120.64 116.72 1x53 n GLU 24 Ca -0.04 1.36 -0.06 0.00 -0.16 0.00 0.00 57.16 58.26 1x53 n GLU 24 Cb 0.26 -2.36 -0.03 0.00 1.43 0.00 0.00 31.44 30.74 1x53 n GLU 24 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 1x53 h GLU 25 N 0.00 -0.35 -0.08 3.44 4.57 -1.59 -2.90 114.58 117.67 1x53 h GLU 25 Ca 0.76 0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.98 1x53 h GLU 25 Cb 1.91 0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 30.57 1x53 h GLU 25 CO -0.78 -0.23 0.22 1.25 -1.18 0.00 0.00 179.01 178.29 1x53 h LEU 26 N -0.40 0.00 -1.32 1.64 5.85 -0.66 0.15 115.31 120.57 1x53 h LEU 26 Ca -0.04 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1x53 h LEU 26 Cb 0.28 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.31 1x53 h LEU 26 CO 0.06 0.00 0.00 0.22 -0.34 0.00 0.00 178.44 178.38 1x53 h TYR 27 N 0.00 0.00 0.01 1.25 3.20 0.27 -2.95 116.97 118.75 1x53 h TYR 27 Ca 0.04 0.00 -0.40 0.00 3.14 0.00 0.00 58.73 61.51 1x53 h TYR 27 Cb 0.48 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.69 1x53 h TYR 27 CO 0.00 0.00 -2.25 0.54 -1.64 0.00 0.00 178.16 174.81 1x53 n ARG 28 N -2.39 0.60 0.33 1.82 1.74 0.53 -3.27 116.66 116.02 1x53 n ARG 28 Ca -0.00 0.31 0.09 0.00 -0.77 0.00 0.00 57.85 57.47 1x53 n ARG 28 Cb 0.13 -1.56 0.47 0.00 -1.02 0.00 0.00 32.46 30.48 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 -0.77 0.00 0.00 1.55 2.07 -1.51 1.68 116.25 119.27 1x53 h VAL 29 Ca -0.60 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 66.89 1x53 h VAL 29 Cb 1.63 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 1x53 h VAL 29 CO -0.30 0.00 -1.70 0.49 0.02 0.00 0.00 177.57 176.08 1x53 n PHE 30 N -2.71 0.00 -1.07 1.57 3.01 -1.18 -4.13 117.46 112.95 1x53 n PHE 30 Ca -0.01 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.53 1x53 n PHE 30 Cb 0.63 -0.37 0.22 0.00 -0.01 0.00 0.00 39.48 39.95 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 2.18 -3.67 4.37 -2.24 0.33 -4.90 114.28 108.29 1x53 n THR 31 Ca -0.05 -2.10 -0.28 0.00 -2.27 0.00 0.00 64.05 59.35 1x53 n THR 31 Cb 0.45 -0.26 -0.16 0.00 -2.10 0.00 0.00 70.33 68.26 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 -2.89 0.36 0.10 4.28 2.01 0.49 -4.35 115.64 115.64 1x53 s THR 32 Ca 0.39 -0.75 -0.21 0.00 0.31 0.00 0.00 61.69 61.43 1x53 s THR 32 Cb 0.33 -1.10 -0.06 0.00 0.01 0.00 0.00 72.50 71.68 1x53 s THR 32 CO 0.06 -0.47 1.36 -0.61 -0.69 0.00 0.00 174.62 174.28 1x53 h GLN 33 N 8.28 -0.11 -0.50 4.92 4.15 -1.86 -1.24 115.11 128.74 1x53 h GLN 33 Ca -0.16 0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.31 1x53 h GLN 33 Cb 1.07 0.03 -0.06 0.00 0.21 0.00 0.00 27.48 28.73 1x53 h GLN 33 CO 0.39 -0.08 -0.30 1.49 -1.93 0.00 0.00 178.83 178.40 1x53 h GLU 34 N -0.12 -0.01 -1.03 1.69 4.81 -1.91 0.62 114.58 118.64 1x53 h GLU 34 Ca 0.08 0.00 0.33 0.00 -0.13 0.00 0.00 59.36 59.64 1x53 h GLU 34 Cb 0.33 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 29.57 1x53 h GLU 34 CO -0.53 -0.00 0.60 -0.07 -0.73 0.00 0.00 179.01 178.28 1x53 h LEU 35 N -0.01 0.50 -0.09 1.64 3.38 -1.72 0.24 115.31 119.25 1x53 h LEU 35 Ca 0.08 0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 1x53 h LEU 35 Cb 0.21 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1x53 h LEU 35 CO -0.48 -0.12 0.03 0.58 0.09 0.00 0.00 178.44 178.54 1x53 h VAL 36 N 0.31 1.17 0.00 1.22 2.07 0.13 -1.96 116.25 119.20 1x53 h VAL 36 Ca 0.73 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.74 1x53 h VAL 36 Cb 1.73 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 1x53 h VAL 36 CO -0.57 0.15 0.00 0.00 0.02 0.00 0.00 177.57 177.17 1x53 n GLN 37 N -4.91 0.13 -0.09 1.57 6.02 0.78 -0.89 117.38 119.99 1x53 n GLN 37 Ca -0.06 0.15 -0.21 0.00 -0.01 0.00 0.00 57.00 56.87 1x53 n GLN 37 Cb 0.13 -1.50 -0.12 0.00 1.02 0.00 0.00 30.24 29.77 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 2.34 0.25 -0.00 -1.58 0.00 -0.73 -2.70 119.26 116.84 1x53 h ALA 38 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 54.91 53.74 1x53 h ALA 38 Cb 0.04 0.68 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1x53 h ALA 38 CO 0.00 0.70 -0.30 1.97 0.00 0.00 0.00 179.25 181.62 1x53 n PHE 39 N -4.37 0.00 0.20 0.00 1.16 -0.98 -3.68 117.46 109.79 1x53 n PHE 39 Ca -0.30 0.00 0.07 0.00 -1.87 0.00 0.00 57.45 55.35 1x53 n PHE 39 Cb 0.70 -0.26 -0.11 0.00 -1.61 0.00 0.00 39.48 38.20 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 -1.26 0.00 -4.54 1.97 -2.24 -0.07 -4.67 114.28 103.46 1x53 n THR 40 Ca 0.08 -0.29 -0.43 0.00 -2.27 0.00 0.00 64.05 61.15 1x53 n THR 40 Cb 0.33 0.41 -0.08 0.00 -2.10 0.00 0.00 70.33 68.89 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 -1.82 -1.16 -3.71 4.78 8.25 -1.02 -4.80 115.22 115.74 1x53 n HIS 41 Ca -0.01 0.69 -0.14 0.00 -0.26 0.00 0.00 57.72 58.00 1x53 n HIS 41 Cb 0.34 -1.87 -0.08 0.00 1.12 0.00 0.00 29.99 29.50 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 -3.27 -0.97 -0.89 -1.41 0.00 -1.26 -4.97 121.76 109.00 1x53 s ALA 42 Ca 0.82 0.45 -0.19 0.00 0.00 0.00 0.00 51.96 53.05 1x53 s ALA 42 Cb -0.48 0.13 -0.24 0.00 0.00 0.00 0.00 23.12 22.53 1x53 s ALA 42 CO 1.03 -0.32 2.33 -2.30 0.00 0.00 0.00 175.76 176.49 1x53 n PRO 43 N 1.02 0.26 -4.92 0.00 -0.02 -1.26 -4.50 135.00 125.59 1x53 n PRO 43 Ca -0.20 -0.27 -0.33 0.00 -2.02 0.00 0.00 63.50 60.68 1x53 n PRO 43 Cb 0.57 -2.12 -0.14 0.00 -0.02 0.00 0.00 33.50 31.80 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 6.89 2.61 -0.33 3.55 0.00 -1.26 -3.18 121.76 130.04 1x53 s ALA 44 Ca 1.17 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 52.17 1x53 s ALA 44 Cb -0.62 -0.96 0.10 0.00 0.00 0.00 0.00 23.12 21.64 1x53 s ALA 44 CO 0.38 0.52 0.08 0.99 0.00 0.00 0.00 175.76 177.72 1x53 s THR 45 N -0.59 1.70 -0.09 0.00 2.01 0.24 -4.81 115.64 114.12 1x53 s THR 45 Ca 0.08 -1.98 -0.02 0.00 0.31 0.00 0.00 61.69 60.09 1x53 s THR 45 Cb -0.11 -2.27 -0.03 0.00 0.01 0.00 0.00 72.50 70.10 1x53 s THR 45 CO 0.01 -0.64 0.00 -0.22 -0.69 0.00 0.00 174.62 173.08 1x53 s LEU 46 N 1.17 3.57 -0.36 4.42 0.20 -1.26 0.03 118.68 126.45 1x53 s LEU 46 Ca 0.11 0.14 0.00 0.00 0.69 0.00 0.00 54.13 55.07 1x53 s LEU 46 Cb -0.18 -1.81 0.11 0.00 -0.43 0.00 0.00 46.19 43.87 1x53 s LEU 46 CO -0.15 0.38 0.15 -1.61 -0.29 0.00 0.00 176.35 174.83 1x53 s GLU 47 N -0.88 0.94 -0.70 1.98 0.41 -1.07 -4.15 118.70 115.22 1x53 s GLU 47 Ca 0.13 -1.45 -0.26 0.00 -0.41 0.00 0.00 54.97 52.99 1x53 s GLU 47 Cb -0.11 -2.12 -0.09 0.00 -1.78 0.00 0.00 34.13 30.02 1x53 s GLU 47 CO 0.02 -1.06 2.29 0.00 -0.49 0.00 0.00 175.26 176.02 1x53 s ALA 48 N 1.12 1.26 -0.25 5.21 0.00 -1.26 -4.31 121.76 123.53 1x53 s ALA 48 Ca 0.13 -0.64 -0.28 0.00 0.00 0.00 0.00 51.96 51.17 1x53 s ALA 48 Cb -0.20 -4.48 0.16 0.00 0.00 0.00 0.00 23.12 18.60 1x53 s ALA 48 CO -0.14 -5.13 1.22 -0.51 0.00 0.00 0.00 175.76 171.20 1x53 s ASP 49 N 10.60 -0.20 -0.42 0.00 1.01 -1.26 -5.02 116.67 121.37 1x53 s ASP 49 Ca 0.88 0.28 -0.27 0.00 0.71 0.00 0.00 52.55 54.15 1x53 s ASP 49 Cb -0.13 0.25 -0.07 0.00 1.01 0.00 0.00 42.92 43.98 1x53 s ASP 49 CO 0.13 -0.14 2.37 0.54 0.21 0.00 0.00 175.17 178.28 1x53 n ARG 50 N 1.06 1.27 0.00 8.23 1.74 -1.26 -0.10 116.66 127.60 1x53 n ARG 50 Ca -0.07 0.16 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 1x53 n ARG 50 Cb 0.58 -3.30 0.00 0.00 -1.02 0.00 0.00 32.46 28.72 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 5.98 0.57 3.38 -0.13 0.00 0.63 -4.99 105.19 110.63 1x53 n GLY 51 Ca 0.36 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.91 1.46 -0.08 -0.02 0.00 0.86 -4.46 107.32 104.17 1x53 s GLY 52 Ca 0.00 -0.80 0.04 0.00 0.00 0.00 0.00 44.72 43.96 1x53 s GLY 52 CO 0.00 0.16 -0.22 0.54 0.00 0.00 0.00 173.10 173.58 1x53 s LYS 53 N -5.11 2.58 -0.21 2.90 3.01 -1.26 -1.69 119.74 119.95 1x53 s LYS 53 Ca 0.69 -0.79 0.02 0.00 -1.01 0.00 0.00 55.97 54.88 1x53 s LYS 53 Cb -0.13 -2.05 0.03 0.00 -1.01 0.00 0.00 37.83 34.67 1x53 s LYS 53 CO 0.58 0.22 -0.16 -0.59 0.51 0.00 0.00 175.35 175.91 1x53 s PHE 54 N 0.20 2.97 -0.06 3.18 -0.12 -1.21 -2.60 117.98 120.34 1x53 s PHE 54 Ca -0.12 -1.90 0.04 0.00 -0.05 0.00 0.00 56.93 54.90 1x53 s PHE 54 Cb -0.16 -1.93 -0.02 0.00 -0.63 0.00 0.00 43.02 40.29 1x53 s PHE 54 CO 0.06 -0.83 -0.19 -1.58 -0.05 0.00 0.00 175.22 172.62 1x53 s HIS 55 N 1.22 2.59 0.32 3.49 2.46 0.10 -2.36 115.29 123.12 1x53 s HIS 55 Ca -0.00 -0.48 -0.00 0.00 0.47 0.00 0.00 55.06 55.05 1x53 s HIS 55 Cb -0.16 -1.64 -0.01 0.00 -0.13 0.00 0.00 32.58 30.64 1x53 s HIS 55 CO -0.10 -0.06 0.39 0.00 -2.47 0.00 0.00 174.74 172.51 1x53 s MET 56 N -0.32 1.78 -1.13 2.88 0.23 0.68 0.81 119.30 124.24 1x53 s MET 56 Ca 0.02 -1.79 -0.00 0.00 -1.03 0.00 0.00 55.69 52.89 1x53 s MET 56 Cb -0.13 0.40 0.00 0.00 -1.53 0.00 0.00 34.83 33.57 1x53 s MET 56 CO 0.02 -0.71 0.94 0.28 -2.03 0.00 0.00 175.02 173.53 1x53 n VAL 57 N -0.54 -5.57 -2.01 5.16 0.31 -1.26 -1.13 118.33 113.28 1x53 n VAL 57 Ca 0.03 -0.46 -0.21 0.00 -0.01 0.00 0.00 64.34 63.69 1x53 n VAL 57 Cb 0.62 -4.83 -0.05 0.00 -0.91 0.00 0.00 33.84 28.68 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 -2.99 -5.65 0.00 4.52 -0.08 -1.25 -1.36 116.55 109.74 1x53 n ASP 58 Ca -0.27 0.24 0.00 0.00 -1.51 0.00 0.00 54.79 53.26 1x53 n ASP 58 Cb 0.66 -4.84 0.00 0.00 2.34 0.00 0.00 41.12 39.28 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 -0.71 0.74 0.03 0.27 0.00 -0.80 -4.86 105.19 99.86 1x53 n GLY 59 Ca -0.23 -0.69 0.11 0.00 0.00 0.00 0.00 46.02 45.21 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 1.46 0.34 -3.84 1.61 3.02 -0.28 -4.75 115.26 112.82 1x53 n ASN 60 Ca 0.00 -0.08 -0.27 0.00 -0.03 0.00 0.00 54.58 54.21 1x53 n ASN 60 Cb 0.27 1.45 -0.17 0.00 -0.61 0.00 0.00 39.78 40.73 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 -3.39 0.85 0.48 2.41 1.01 -0.54 0.98 120.40 122.19 1x53 s VAL 61 Ca -0.03 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.56 1x53 s VAL 61 Cb 0.13 -1.05 -0.02 0.00 0.00 0.00 0.00 36.38 35.44 1x53 s VAL 61 CO 0.87 0.14 0.04 -0.94 0.00 0.00 0.00 175.10 175.21 1x53 s SER 62 N 1.75 3.72 0.00 3.32 1.04 -1.17 -0.23 113.70 122.13 1x53 s SER 62 Ca 0.02 -1.65 0.00 0.00 0.48 0.00 0.00 55.95 54.80 1x53 s SER 62 Cb -0.14 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1x53 s SER 62 CO -0.07 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 173.89 1x53 n GLY 63 N -1.15 -0.92 3.25 7.32 0.00 -0.99 -3.09 105.19 109.61 1x53 n GLY 63 Ca -0.15 -0.73 -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 -0.13 0.42 -0.27 1.61 -1.05 -1.24 -3.29 118.70 114.75 1x53 s GLU 64 Ca 0.00 0.53 -0.28 0.00 -0.15 0.00 0.00 54.97 55.07 1x53 s GLU 64 Cb 0.00 0.18 0.01 0.00 -0.44 0.00 0.00 34.13 33.88 1x53 s GLU 64 CO 0.00 -0.06 1.00 -0.06 0.95 0.00 0.00 175.26 177.09 1x53 s PHE 65 N 0.32 3.26 -0.22 4.83 0.40 -0.68 -1.29 117.98 124.60 1x53 s PHE 65 Ca -0.01 1.28 0.01 0.00 -0.60 0.00 0.00 56.93 57.61 1x53 s PHE 65 Cb -0.03 -3.37 -0.20 0.00 0.51 0.00 0.00 43.02 39.93 1x53 s PHE 65 CO -0.01 -0.57 -0.06 0.25 0.70 0.00 0.00 175.22 175.53 1x53 n THR 66 N 5.51 1.55 -3.91 0.64 -2.24 0.13 0.23 114.28 116.19 1x53 n THR 66 Ca 0.10 -0.61 -0.11 0.00 -2.27 0.00 0.00 64.05 61.16 1x53 n THR 66 Cb 0.47 -1.42 -0.12 0.00 -2.10 0.00 0.00 70.33 67.16 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 -6.56 0.08 -0.19 3.42 2.15 -0.73 -4.75 116.67 110.09 1x53 s ASP 67 Ca -0.30 -0.19 -0.04 0.00 0.43 0.00 0.00 52.55 52.45 1x53 s ASP 67 Cb 0.08 0.12 0.08 0.00 -0.30 0.00 0.00 42.92 42.90 1x53 s ASP 67 CO 0.66 -0.18 0.19 -0.76 -0.17 0.00 0.00 175.17 174.90 1x53 s LEU 68 N -0.78 -0.02 -0.08 -1.34 1.43 -1.26 -1.64 118.68 115.00 1x53 s LEU 68 Ca -0.09 -0.25 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 1x53 s LEU 68 Cb -0.05 0.25 -0.03 0.00 0.03 0.00 0.00 46.19 46.39 1x53 s LEU 68 CO -0.00 -0.32 -0.07 -0.69 0.23 0.00 0.00 176.35 175.50 1x53 s VAL 69 N 2.29 3.70 -0.36 -1.59 1.01 -0.82 -5.04 120.40 119.59 1x53 s VAL 69 Ca 0.06 -0.47 -0.38 0.00 0.00 0.00 0.00 61.98 61.18 1x53 s VAL 69 Cb -0.15 -2.52 -0.14 0.00 0.00 0.00 0.00 36.38 33.56 1x53 s VAL 69 CO -0.11 0.59 2.08 -2.65 0.00 0.00 0.00 175.10 175.00 1x53 n PRO 70 N 2.36 0.87 -3.35 2.72 -0.02 -1.26 -2.19 135.00 134.13 1x53 n PRO 70 Ca -0.18 0.26 -0.16 0.00 -2.02 0.00 0.00 63.50 61.40 1x53 n PRO 70 Cb 0.53 -2.17 -0.05 0.00 -0.02 0.00 0.00 33.50 31.79 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 7.39 -0.95 0.08 -0.52 1.02 -1.26 -4.67 120.64 121.73 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 -1.86 0.00 0.00 -0.02 0.00 0.00 31.44 29.71 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 -2.71 0.00 -3.55 3.49 5.02 -0.93 -4.81 118.16 114.67 1x53 n LYS 72 Ca -0.13 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.07 1x53 n LYS 72 Cb 0.33 -0.33 -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 -0.36 -0.03 2.13 -3.43 -1.24 -1.74 115.29 108.63 1x53 s HIS 73 Ca 0.00 0.14 0.00 0.00 -0.80 0.00 0.00 55.06 54.40 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 -0.77 0.02 0.42 -2.00 0.00 0.00 174.74 172.41 1x53 s ILE 74 N -3.44 0.05 -0.18 -5.38 1.01 0.44 -1.94 121.20 111.76 1x53 s ILE 74 Ca 0.05 0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.87 1x53 s ILE 74 Cb -0.02 -0.17 0.01 0.00 0.01 0.00 0.00 42.46 42.29 1x53 s ILE 74 CO -0.07 0.12 -0.17 -0.69 0.00 0.00 0.00 174.94 174.13 1x53 s VAL 75 N 1.10 2.36 0.28 2.92 1.01 -0.65 0.31 120.40 127.73 1x53 s VAL 75 Ca -0.09 -0.85 -0.10 0.00 0.00 0.00 0.00 61.98 60.95 1x53 s VAL 75 Cb -0.13 -2.01 0.00 0.00 0.00 0.00 0.00 36.38 34.24 1x53 s VAL 75 CO -0.02 0.52 0.50 0.00 0.00 0.00 0.00 175.10 176.09 1x53 s MET 76 N 1.22 1.70 0.20 2.72 0.23 -0.15 0.18 119.30 125.39 1x53 s MET 76 Ca 0.03 -1.41 -0.02 0.00 -1.03 0.00 0.00 55.69 53.25 1x53 s MET 76 Cb -0.14 0.47 -0.05 0.00 -1.53 0.00 0.00 34.83 33.59 1x53 s MET 76 CO -0.09 -0.71 0.41 0.15 -2.03 0.00 0.00 175.02 172.75 1x53 s LYS 77 N -3.61 3.56 0.01 3.16 1.02 -0.41 -0.19 119.74 123.28 1x53 s LYS 77 Ca 0.24 -0.22 0.01 0.00 0.02 0.00 0.00 55.97 56.03 1x53 s LYS 77 Cb -0.01 -2.81 -0.01 0.00 -0.52 0.00 0.00 37.83 34.48 1x53 s LYS 77 CO 0.12 0.39 -0.04 -0.46 -0.92 0.00 0.00 175.35 174.45 1x53 s TRP 78 N -1.84 0.31 -0.06 3.18 -0.00 0.76 -3.67 118.94 117.62 1x53 s TRP 78 Ca 0.40 -0.22 -0.31 0.00 -0.00 0.00 0.00 56.10 55.97 1x53 s TRP 78 Cb -0.11 -0.20 0.12 0.00 -0.00 0.00 0.00 33.47 33.28 1x53 s TRP 78 CO 0.28 -0.05 1.12 -0.98 -0.00 0.00 0.00 176.95 177.32 1x53 s ARG 79 N -0.61 0.56 0.33 5.86 1.70 -1.18 0.18 118.95 125.80 1x53 s ARG 79 Ca -0.04 -0.25 0.04 0.00 -0.47 0.00 0.00 55.73 55.00 1x53 s ARG 79 Cb -0.04 0.23 -0.02 0.00 -0.57 0.00 0.00 34.95 34.55 1x53 s ARG 79 CO -0.00 -0.25 0.49 -0.06 -1.08 0.00 0.00 175.30 174.39 1x53 s PHE 80 N -2.69 3.32 -1.71 5.89 0.08 -1.26 -3.02 117.98 118.59 1x53 s PHE 80 Ca 0.10 0.04 0.22 0.00 0.12 0.00 0.00 56.93 57.42 1x53 s PHE 80 Cb 0.00 -1.89 1.23 0.00 -0.57 0.00 0.00 43.02 41.79 1x53 s PHE 80 CO -0.05 0.10 1.72 1.17 -0.10 0.00 0.00 175.22 178.07 1x53 n LYS 81 N -1.67 0.51 -0.00 0.44 0.00 0.28 -2.51 118.16 115.20 1x53 n LYS 81 Ca -0.04 0.04 0.04 0.00 0.00 0.00 0.00 58.31 58.35 1x53 n LYS 81 Cb 0.57 -1.50 -0.05 0.00 0.00 0.00 0.00 35.03 34.05 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 -1.15 1.77 -4.46 3.14 2.88 -1.26 -5.04 113.62 109.51 1x53 n SER 82 Ca 0.14 -0.34 -0.33 0.00 -1.33 0.00 0.00 58.87 57.00 1x53 n SER 82 Cb 0.13 1.17 0.13 0.00 -0.75 0.00 0.00 64.21 64.88 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 -1.47 -1.08 -0.29 0.66 7.02 -1.04 -4.96 117.44 116.27 1x53 n TRP 83 Ca 0.00 0.26 -0.15 0.00 -1.02 0.00 0.00 57.50 56.59 1x53 n TRP 83 Cb 0.16 -1.82 0.15 0.00 -2.42 0.00 0.00 31.31 27.37 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 -2.04 -2.11 -2.93 -0.99 -0.02 -1.26 -4.93 135.00 120.72 1x53 n PRO 84 Ca 0.08 -0.72 -0.40 0.00 -2.02 0.00 0.00 63.50 60.43 1x53 n PRO 84 Cb 0.53 -1.19 -0.05 0.00 -0.02 0.00 0.00 33.50 32.77 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 -3.52 4.56 -1.34 -0.52 2.12 -1.26 -4.06 118.70 114.68 1x53 s GLU 85 Ca 0.33 1.17 -0.04 0.00 0.36 0.00 0.00 54.97 56.79 1x53 s GLU 85 Cb -0.06 -3.34 -0.00 0.00 0.26 0.00 0.00 34.13 30.99 1x53 s GLU 85 CO 0.28 0.34 0.53 0.41 -0.54 0.00 0.00 175.26 176.27 1x53 n GLY 86 N 2.17 -0.37 2.67 -1.50 0.00 -1.26 -4.96 105.19 101.94 1x53 n GLY 86 Ca -0.02 0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.83 1.17 0.41 1.61 2.46 -1.26 -5.13 115.29 110.73 1x53 s HIS 87 Ca 0.09 -1.36 0.07 0.00 0.47 0.00 0.00 55.06 54.32 1x53 s HIS 87 Cb -0.03 -1.37 -0.08 0.00 -0.13 0.00 0.00 32.58 30.97 1x53 s HIS 87 CO 0.87 -0.84 0.01 -0.06 -2.47 0.00 0.00 174.74 172.26 1x53 s PHE 88 N 1.80 2.47 -0.08 3.88 0.40 -1.26 -4.78 117.98 120.40 1x53 s PHE 88 Ca 0.09 -0.70 0.04 0.00 -0.60 0.00 0.00 56.93 55.76 1x53 s PHE 88 Cb -0.17 -1.76 0.00 0.00 0.51 0.00 0.00 43.02 41.61 1x53 s PHE 88 CO -0.28 0.42 -0.22 0.00 0.70 0.00 0.00 175.22 175.85 1x53 s ALA 89 N -2.74 1.95 -0.29 5.36 0.00 0.13 -4.78 121.76 121.40 1x53 s ALA 89 Ca 0.33 -0.86 -0.29 0.00 0.00 0.00 0.00 51.96 51.14 1x53 s ALA 89 Cb 0.09 -0.72 0.00 0.00 0.00 0.00 0.00 23.12 22.50 1x53 s ALA 89 CO 0.17 0.28 1.23 0.99 0.00 0.00 0.00 175.76 178.43 1x53 s THR 90 N 0.28 4.26 -0.06 0.00 2.01 -1.18 -0.17 115.64 120.79 1x53 s THR 90 Ca -0.14 1.45 0.04 0.00 0.31 0.00 0.00 61.69 63.34 1x53 s THR 90 Cb -0.16 -4.22 -0.02 0.00 0.01 0.00 0.00 72.50 68.11 1x53 s THR 90 CO 0.07 -0.44 -0.16 -0.63 -0.69 0.00 0.00 174.62 172.76 1x53 s ILE 91 N 4.07 2.87 -0.30 1.82 1.09 0.74 -1.44 121.20 130.04 1x53 s ILE 91 Ca 0.53 -0.79 -0.01 0.00 -1.10 0.00 0.00 60.65 59.28 1x53 s ILE 91 Cb -0.16 -2.12 0.09 0.00 -1.06 0.00 0.00 42.46 39.22 1x53 s ILE 91 CO 0.20 0.58 0.09 -0.89 -0.10 0.00 0.00 174.94 174.81 1x53 s THR 92 N -0.51 0.86 0.36 2.92 2.01 0.60 -0.98 115.64 120.90 1x53 s THR 92 Ca 0.07 -1.31 -0.10 0.00 0.31 0.00 0.00 61.69 60.66 1x53 s THR 92 Cb -0.12 -1.61 -0.06 0.00 0.01 0.00 0.00 72.50 70.72 1x53 s THR 92 CO 0.01 -0.61 0.71 -0.76 -0.69 0.00 0.00 174.62 173.28 1x53 s LEU 93 N 1.64 3.93 -0.02 4.42 1.43 0.15 -2.75 118.68 127.47 1x53 s LEU 93 Ca 0.08 1.05 -0.02 0.00 -1.03 0.00 0.00 54.13 54.21 1x53 s LEU 93 Cb -0.17 -3.90 0.01 0.00 0.03 0.00 0.00 46.19 42.16 1x53 s LEU 93 CO -0.23 -0.31 0.06 -0.89 0.23 0.00 0.00 176.35 175.20 1x53 s THR 94 N -2.23 -0.00 -0.18 5.49 2.01 -1.20 -0.42 115.64 119.11 1x53 s THR 94 Ca 0.50 0.01 -0.03 0.00 0.31 0.00 0.00 61.69 62.47 1x53 s THR 94 Cb -0.10 -0.09 -0.02 0.00 0.01 0.00 0.00 72.50 72.29 1x53 s THR 94 CO 0.29 0.00 -0.04 -0.36 -0.69 0.00 0.00 174.62 173.82 1x53 s PHE 95 N 0.08 2.98 0.22 4.92 0.40 -0.71 -2.46 117.98 123.41 1x53 s PHE 95 Ca -0.00 -0.54 0.12 0.00 -0.60 0.00 0.00 56.93 55.90 1x53 s PHE 95 Cb -0.01 -2.01 -0.05 0.00 0.51 0.00 0.00 43.02 41.47 1x53 s PHE 95 CO -0.00 -0.24 -0.22 0.42 0.70 0.00 0.00 175.22 175.88 1x53 s ILE 96 N 0.78 2.42 -0.16 0.64 1.01 -1.21 -4.74 121.20 119.94 1x53 s ILE 96 Ca -0.02 -2.15 -0.05 0.00 0.00 0.00 0.00 60.65 58.43 1x53 s ILE 96 Cb -0.15 -2.20 -0.03 0.00 0.01 0.00 0.00 42.46 40.09 1x53 s ILE 96 CO 0.02 -0.21 0.00 -0.62 0.00 0.00 0.00 174.94 174.13 1x53 s ASP 97 N -2.96 5.14 -0.04 3.58 2.15 -1.26 -3.22 116.67 120.05 1x53 s ASP 97 Ca 0.24 -0.03 0.06 0.00 0.43 0.00 0.00 52.55 53.25 1x53 s ASP 97 Cb -0.07 -1.82 0.09 0.00 -0.30 0.00 0.00 42.92 40.82 1x53 s ASP 97 CO 0.12 0.19 0.99 0.29 -0.17 0.00 0.00 175.17 176.59 1x53 n LYS 98 N 3.41 1.83 -2.48 4.34 4.76 -0.71 -4.99 118.16 124.32 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 -1.06 0.03 0.00 -1.84 0.00 0.00 35.03 32.68 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 -0.70 -2.03 0.00 4.39 5.15 -1.26 -4.48 115.26 116.33 1x53 n ASN 99 Ca 0.05 -0.21 0.00 0.00 -0.60 0.00 0.00 54.58 53.82 1x53 n ASN 99 Cb 0.44 -2.07 0.00 0.00 -0.53 0.00 0.00 39.78 37.62 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 1.42 3.37 8.20 0.00 -1.26 -5.13 105.19 110.75 1x53 n GLY 100 Ca -0.10 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.74 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 1.48 -0.08 1.61 2.02 -1.26 -3.69 118.70 118.78 1x53 s GLU 101 Ca 0.00 -1.79 0.00 0.00 0.02 0.00 0.00 54.97 53.20 1x53 s GLU 101 Cb 0.00 -0.60 0.02 0.00 0.10 0.00 0.00 34.13 33.65 1x53 s GLU 101 CO 0.00 -0.19 -0.06 0.99 0.02 0.00 0.00 175.26 176.02 1x53 s THR 102 N -3.48 0.79 -0.55 3.63 2.01 0.13 -1.74 115.64 116.43 1x53 s THR 102 Ca 0.34 -0.19 -0.21 0.00 0.31 0.00 0.00 61.69 61.95 1x53 s THR 102 Cb 0.07 -0.82 0.06 0.00 0.01 0.00 0.00 72.50 71.82 1x53 s THR 102 CO 0.13 0.31 0.77 -0.70 -0.69 0.00 0.00 174.62 174.44 1x53 s GLU 103 N 1.44 3.17 -0.60 4.92 2.56 -1.20 0.42 118.70 129.42 1x53 s GLU 103 Ca -0.02 -0.75 -0.25 0.00 0.00 0.00 0.00 54.97 53.96 1x53 s GLU 103 Cb -0.13 -4.12 0.05 0.00 2.00 0.00 0.00 34.13 31.92 1x53 s GLU 103 CO -0.04 -1.42 1.01 -1.17 -0.56 0.00 0.00 175.26 173.09 1x53 s LEU 104 N 3.22 3.99 -0.82 2.70 2.96 -0.10 -3.35 118.68 127.29 1x53 s LEU 104 Ca 0.20 -0.45 -0.20 0.00 -0.22 0.00 0.00 54.13 53.46 1x53 s LEU 104 Cb -0.17 -2.75 0.11 0.00 0.50 0.00 0.00 46.19 43.88 1x53 s LEU 104 CO 0.13 -1.37 1.03 0.00 -1.32 0.00 0.00 176.35 174.82 1x53 s MET 106 N 3.05 4.57 -0.08 0.00 1.75 0.10 -3.21 119.30 125.49 1x53 s MET 106 Ca 0.27 1.27 -0.01 0.00 -1.25 0.00 0.00 55.69 55.97 1x53 s MET 106 Cb -0.10 -3.41 0.03 0.00 2.84 0.00 0.00 34.83 34.18 1x53 s MET 106 CO -0.02 0.12 -0.01 -2.00 -0.65 0.00 0.00 175.02 172.45 1x53 s GLU 107 N 0.44 0.80 -0.02 4.11 -6.30 -1.11 -0.90 118.70 115.72 1x53 s GLU 107 Ca 0.45 0.03 0.05 0.00 -2.50 0.00 0.00 54.97 53.01 1x53 s GLU 107 Cb -0.21 -1.10 -0.01 0.00 0.00 0.00 0.00 34.13 32.81 1x53 s GLU 107 CO 0.26 -0.29 -0.17 0.20 0.02 0.00 0.00 175.26 175.27 1x53 s GLY 108 N 1.92 0.86 -0.20 -1.50 0.00 -0.30 -0.29 107.32 107.80 1x53 s GLY 108 Ca 0.05 -0.74 -0.05 0.00 0.00 0.00 0.00 44.72 43.98 1x53 s GLY 108 CO -0.06 -0.58 0.11 1.09 0.00 0.00 0.00 173.10 173.66 1x53 s ARG 109 N -0.33 0.10 0.00 2.90 1.70 -0.52 -0.03 118.95 122.76 1x53 s ARG 109 Ca 0.05 -0.17 0.00 0.00 -0.47 0.00 0.00 55.73 55.14 1x53 s ARG 109 Cb -0.08 -1.64 0.00 0.00 -0.57 0.00 0.00 34.95 32.66 1x53 s ARG 109 CO -0.00 -0.75 0.00 0.41 -1.08 0.00 0.00 175.30 173.88 1x53 n GLY 110 N 5.28 -0.43 3.67 3.88 0.00 -1.12 -3.08 105.19 113.39 1x53 n GLY 110 Ca -0.07 0.00 -0.42 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 -0.50 3.85 -0.10 -0.61 1.09 -0.97 -4.58 121.20 119.39 1x53 s ILE 111 Ca 0.00 1.13 -0.38 0.00 -1.10 0.00 0.00 60.65 60.30 1x53 s ILE 111 Cb 0.00 -3.73 -0.16 0.00 -1.06 0.00 0.00 42.46 37.51 1x53 s ILE 111 CO 0.00 -0.05 1.54 -2.65 -0.10 0.00 0.00 174.94 173.68 1x53 n PRO 112 N 6.12 1.15 -0.24 2.79 -0.02 -1.26 0.64 135.00 144.18 1x53 n PRO 112 Ca 0.14 0.42 0.04 0.00 -2.02 0.00 0.00 63.50 62.08 1x53 n PRO 112 Cb 0.44 -2.08 0.16 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 5.88 0.92 -0.04 3.55 0.00 -0.87 1.03 119.26 129.74 1x53 h ALA 113 Ca -0.47 0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.60 1x53 h ALA 113 Cb 1.33 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 1x53 h ALA 113 CO 0.87 -0.30 0.22 -1.35 0.00 0.00 0.00 179.25 178.69 1x53 h PRO 114 N 0.31 0.00 0.00 0.00 0.11 -1.89 -0.43 132.00 130.10 1x53 h PRO 114 Ca 0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.50 1x53 h PRO 114 Cb 0.63 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.74 1x53 h PRO 114 CO -0.46 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 177.72 1x53 n GLU 115 N -3.09 0.03 -0.36 1.05 -0.58 0.76 -4.73 120.64 113.73 1x53 n GLU 115 Ca -0.02 -0.68 0.31 0.00 -0.42 0.00 0.00 57.16 56.36 1x53 n GLU 115 Cb 0.28 -0.94 0.64 0.00 -0.57 0.00 0.00 31.44 30.86 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 0.00 0.17 0.00 3.49 4.81 0.27 0.44 114.58 123.75 1x53 h GLU 116 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1x53 h GLU 116 Cb 0.19 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1x53 h GLU 116 CO 0.00 0.11 -0.21 1.49 -0.73 0.00 0.00 179.01 179.67 1x53 h GLU 117 N 0.17 0.00 -0.40 1.92 4.81 -1.85 -3.30 114.58 115.93 1x53 h GLU 117 Ca 0.63 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.94 1x53 h GLU 117 Cb 2.06 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 31.35 1x53 h GLU 117 CO -0.18 0.00 -0.29 -0.09 -0.73 0.00 0.00 179.01 177.72 1x53 h ARG 118 N -0.87 -0.21 -0.55 1.92 2.43 -1.75 0.22 114.38 115.57 1x53 h ARG 118 Ca 0.00 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.25 1x53 h ARG 118 Cb 0.21 0.05 -0.10 0.00 -0.42 0.00 0.00 29.97 29.71 1x53 h ARG 118 CO 0.00 -0.14 -0.51 1.15 -1.51 0.00 0.00 179.97 178.96 1x53 h THR 119 N -0.22 0.03 -0.71 0.20 2.02 -0.34 0.14 112.91 114.04 1x53 h THR 119 Ca 0.18 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.34 1x53 h THR 119 Cb 0.51 0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.92 1x53 h THR 119 CO -0.52 0.00 0.35 -0.09 0.37 0.00 0.00 175.52 175.62 1x53 h ARG 120 N -0.28 1.01 -0.59 6.66 2.43 -1.48 -1.05 114.38 121.09 1x53 h ARG 120 Ca 0.13 -0.14 0.06 0.00 -0.81 0.00 0.00 59.98 59.22 1x53 h ARG 120 Cb 0.56 -0.19 -0.05 0.00 -0.42 0.00 0.00 29.97 29.87 1x53 h ARG 120 CO -0.68 0.78 0.30 1.96 -1.51 0.00 0.00 179.97 180.82 1x53 h GLN 121 N 1.01 0.55 -0.76 0.20 1.08 0.18 -2.12 115.11 115.24 1x53 h GLN 121 Ca 0.25 -0.03 -0.36 0.00 -1.45 0.00 0.00 58.65 57.06 1x53 h GLN 121 Cb 0.10 -0.12 -0.21 0.00 -0.05 0.00 0.00 27.48 27.19 1x53 h GLN 121 CO -0.03 0.36 0.38 0.41 -0.95 0.00 0.00 178.83 179.00 1x53 n GLY 122 N -1.27 4.41 0.02 3.46 0.00 0.26 -4.33 105.19 107.75 1x53 n GLY 122 Ca 0.07 -1.10 -0.02 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.92 0.11 0.15 1.61 -0.00 -0.43 -4.51 117.44 113.46 1x53 n TRP 123 Ca 0.48 0.05 0.01 0.00 -0.00 0.00 0.00 57.50 58.04 1x53 n TRP 123 Cb 1.44 -0.25 0.31 0.00 -0.00 0.00 0.00 31.31 32.81 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 0.10 -1.13 5.87 4.20 -1.81 0.43 115.11 122.50 1x53 h GLN 124 Ca 0.00 -0.04 0.33 0.00 0.06 0.00 0.00 58.65 59.00 1x53 h GLN 124 Cb 0.20 -0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.93 1x53 h GLN 124 CO 0.00 0.46 0.85 0.00 -0.67 0.00 0.00 178.83 179.46 1x53 h ARG 125 N 0.09 0.00 0.00 1.46 3.08 -1.81 0.21 114.38 117.42 1x53 h ARG 125 Ca 0.01 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.96 1x53 h ARG 125 Cb 0.69 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.72 1x53 h ARG 125 CO 0.05 0.00 -1.38 0.66 -1.07 0.00 0.00 179.97 178.23 1x53 n TYR 126 N -4.09 0.00 0.12 3.04 4.01 -1.07 -3.16 117.16 116.01 1x53 n TYR 126 Ca 0.24 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.93 1x53 n TYR 126 Cb 1.22 -0.27 -0.02 0.00 -0.31 0.00 0.00 39.34 39.96 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 -0.30 0.00 -0.72 -1.99 -0.33 -3.31 116.97 110.32 1x53 h TYR 127 Ca -0.15 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.57 1x53 h TYR 127 Cb 1.30 0.10 0.00 0.00 2.00 0.00 0.00 36.73 40.13 1x53 h TYR 127 CO 0.00 -0.19 -0.05 1.19 -0.00 0.00 0.00 178.16 179.11 1x53 n PHE 128 N -3.12 0.05 -0.35 4.88 3.72 -0.27 -3.74 117.46 118.63 1x53 n PHE 128 Ca -0.04 0.02 0.29 0.00 -0.05 0.00 0.00 57.45 57.67 1x53 n PHE 128 Cb 0.13 -0.21 0.47 0.00 -0.94 0.00 0.00 39.48 38.93 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 -2.51 -0.02 -0.03 -1.08 -0.58 0.59 0.21 120.64 117.22 1x53 n GLU 129 Ca -0.01 0.81 -0.14 0.00 -0.42 0.00 0.00 57.16 57.40 1x53 n GLU 129 Cb 0.03 -1.65 -0.10 0.00 -0.57 0.00 0.00 31.44 29.14 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 0.17 0.63 0.62 0.00 -1.63 -3.20 103.07 99.67 1x53 h GLY 130 Ca 0.60 -0.25 -0.07 0.00 0.00 0.00 0.00 47.33 47.61 1x53 h GLY 130 CO -0.24 0.22 -0.24 -2.22 0.00 0.00 0.00 176.54 174.06 1x53 h ILE 131 N -0.43 1.43 -1.15 2.60 2.04 0.23 0.26 117.51 122.49 1x53 h ILE 131 Ca -0.01 -1.63 0.33 0.00 1.00 0.00 0.00 64.86 64.55 1x53 h ILE 131 Cb 0.82 2.31 -0.05 0.00 -0.74 0.00 0.00 36.82 39.16 1x53 h ILE 131 CO 0.03 0.46 0.88 0.11 0.00 0.00 0.00 178.15 179.64 1x53 h LYS 132 N -0.23 0.00 0.00 2.37 1.57 -0.49 0.44 116.57 120.24 1x53 h LYS 132 Ca -0.01 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 58.31 1x53 h LYS 132 Cb 0.87 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.11 1x53 h LYS 132 CO 0.05 0.00 -2.54 1.04 -0.57 0.00 0.00 179.45 177.43 1x53 n GLN 133 N -4.04 0.59 0.32 3.15 1.13 -1.19 -1.60 117.38 115.75 1x53 n GLN 133 Ca 0.25 0.24 -0.17 0.00 -1.94 0.00 0.00 57.00 55.38 1x53 n GLN 133 Cb 1.26 -1.49 -0.09 0.00 0.11 0.00 0.00 30.24 30.04 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 -0.86 0.24 0.00 5.09 2.02 0.22 -3.04 112.91 116.58 1x53 h THR 134 Ca -0.69 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.49 1x53 h THR 134 Cb 1.65 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 68.30 1x53 h THR 134 CO -0.38 0.00 -0.62 -0.26 0.37 0.00 0.00 175.52 174.63 1x53 h PHE 135 N -0.90 0.00 -0.14 3.16 -1.00 -0.35 -3.48 116.94 114.22 1x53 h PHE 135 Ca -0.07 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.71 1x53 h PHE 135 Cb 0.74 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.30 1x53 h PHE 135 CO -0.12 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 176.99 1x53 n GLY 136 N 1.22 0.73 1.95 -1.45 0.00 -0.69 -4.96 105.19 101.99 1x53 n GLY 136 Ca 0.02 -0.69 -0.19 0.00 0.00 0.00 0.00 46.02 45.16 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 -3.19 2.34 -3.73 1.61 4.01 -0.63 -4.80 117.16 112.77 1x53 n TYR 137 Ca 0.00 -1.65 -0.22 0.00 -0.16 0.00 0.00 57.90 55.87 1x53 n TYR 137 Cb 0.41 -0.84 -0.04 0.00 -0.31 0.00 0.00 39.34 38.56 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 -0.75 2.17 0.16 2.72 0.00 -0.73 -2.30 107.32 108.59 1x53 s GLY 138 Ca 0.44 -1.94 0.00 0.00 0.00 0.00 0.00 44.72 43.22 1x53 s GLY 138 CO 0.07 -1.75 0.00 0.00 0.00 0.00 0.00 173.10 171.42 1x53 n ALA 139 N -1.45 3.00 -3.70 3.20 0.00 -1.26 -4.68 120.51 115.62 1x53 n ALA 139 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.28 1x53 n ALA 139 Cb 0.62 0.06 -0.17 0.00 0.00 0.00 0.00 19.45 19.96 1x53 n ALA 139 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1x53 s SER 140 N -5.04 0.78 0.87 0.00 0.15 -1.26 -5.15 113.70 104.04 1x53 s SER 140 Ca 0.00 0.11 -0.12 0.00 0.70 0.00 0.00 55.95 56.64 1x53 s SER 140 Cb 0.00 -0.06 0.11 0.00 -1.71 0.00 0.00 66.02 64.36 1x53 s SER 140 CO 0.00 -0.22 1.11 -0.83 1.20 0.00 0.00 173.24 174.51 1x53 s GLY 141 N 1.88 1.60 0.65 9.45 0.00 -1.26 -5.04 107.32 114.59 1x53 s GLY 141 Ca 0.01 -0.33 -0.11 0.00 0.00 0.00 0.00 44.72 44.29 1x53 s GLY 141 CO -0.03 0.17 1.04 2.56 0.00 0.00 0.00 173.10 176.84 1x53 s PRO 142 N -5.17 3.33 -0.32 2.90 0.04 -1.26 -5.02 135.00 129.51 1x53 s PRO 142 Ca 0.63 0.84 0.13 0.00 0.04 0.00 0.00 61.00 62.64 1x53 s PRO 142 Cb -0.15 -2.04 0.47 0.00 0.04 0.00 0.00 34.50 32.81 1x53 s PRO 142 CO 0.54 -0.79 1.10 -1.13 0.04 0.00 0.00 177.00 176.77 1x53 n SER 143 N -2.89 3.24 -4.02 6.66 3.41 -1.26 -5.06 113.62 113.71 1x53 n SER 143 Ca 0.07 -3.04 -0.15 0.00 -0.26 0.00 0.00 58.87 55.49 1x53 n SER 143 Cb 0.54 -0.44 -0.13 0.00 -0.26 0.00 0.00 64.21 63.92 1x53 n SER 143 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x53 s SER 144 N -3.56 0.77 0.00 4.04 0.01 -1.26 -5.38 113.70 108.32 1x53 s SER 144 Ca 0.39 -0.33 0.00 0.00 1.31 0.00 0.00 55.95 57.32 1x53 s SER 144 Cb 0.39 -0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.60 1x53 s SER 144 CO -0.03 -0.07 0.39 0.61 0.41 0.00 0.00 173.24 174.55