#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x53 n SER 2 N 0.00 6.64 -5.01 1.61 2.88 -1.26 -4.93 113.62 113.55 1x53 n SER 2 Ca 0.00 -3.22 -0.18 0.00 -1.33 0.00 0.00 58.87 54.14 1x53 n SER 2 Cb 0.00 -1.12 0.02 0.00 -0.75 0.00 0.00 64.21 62.36 1x53 n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x53 s SER 3 N -0.00 5.51 -0.22 -3.46 1.04 -1.26 -5.06 113.70 110.25 1x53 s SER 3 Ca 0.46 -0.53 0.05 0.00 0.48 0.00 0.00 55.95 56.42 1x53 s SER 3 Cb 0.33 -0.46 0.18 0.00 0.10 0.00 0.00 66.02 66.17 1x53 s SER 3 CO -0.10 -0.87 1.03 0.61 0.98 0.00 0.00 173.24 174.89 1x53 n GLY 4 N -1.91 0.22 2.80 7.32 0.00 -1.26 -5.14 105.19 107.22 1x53 n GLY 4 Ca 0.09 -0.07 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 1x53 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x53 s SER 5 N -0.51 0.09 -0.39 1.61 0.01 -1.26 -5.09 113.70 108.15 1x53 s SER 5 Ca 0.06 0.02 -0.37 0.00 1.31 0.00 0.00 55.95 56.98 1x53 s SER 5 Cb 0.19 -0.07 -0.16 0.00 0.21 0.00 0.00 66.02 66.20 1x53 s SER 5 CO -0.05 -0.10 1.29 -0.24 0.41 0.00 0.00 173.24 174.55 1x53 n SER 6 N 3.93 0.93 0.00 2.44 2.88 -1.26 -4.51 113.62 118.03 1x53 n SER 6 Ca -0.24 0.91 0.00 0.00 -1.33 0.00 0.00 58.87 58.21 1x53 n SER 6 Cb 0.52 -0.69 0.00 0.00 -0.75 0.00 0.00 64.21 63.29 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 3.32 -3.89 3.86 0.46 0.00 -1.26 -4.99 105.19 102.68 1x53 n GLY 7 Ca 0.26 -2.13 -0.37 0.00 0.00 0.00 0.00 46.02 43.78 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 -0.92 5.43 0.41 -0.61 1.01 -1.26 -4.97 121.20 120.29 1x53 s ILE 8 Ca 0.00 0.18 -0.23 0.00 0.00 0.00 0.00 60.65 60.60 1x53 s ILE 8 Cb 0.00 -3.37 -0.10 0.00 0.01 0.00 0.00 42.46 39.00 1x53 s ILE 8 CO 0.00 0.60 0.99 -2.16 0.00 0.00 0.00 174.94 174.38 1x53 s PRO 9 N -0.90 4.19 0.26 2.79 0.04 -1.26 -4.98 135.00 135.14 1x53 s PRO 9 Ca 0.14 1.32 0.02 0.00 0.04 0.00 0.00 61.00 62.52 1x53 s PRO 9 Cb -0.12 -2.38 -0.03 0.00 0.04 0.00 0.00 34.50 32.00 1x53 s PRO 9 CO 0.03 -0.08 0.21 0.95 0.04 0.00 0.00 177.00 178.15 1x53 s THR 10 N -1.88 0.00 0.33 1.26 -4.23 -1.26 -0.44 115.64 109.42 1x53 s THR 10 Ca 0.60 -1.98 -0.02 0.00 -1.18 0.00 0.00 61.69 59.11 1x53 s THR 10 Cb -0.16 -2.50 -0.00 0.00 1.34 0.00 0.00 72.50 71.18 1x53 s THR 10 CO 0.21 0.00 0.44 0.00 -0.54 0.00 0.00 174.62 174.72 1x53 s LYS 12 N -3.17 3.04 -0.59 0.00 2.20 -1.26 -2.26 119.74 117.70 1x53 s LYS 12 Ca 0.32 -0.44 0.04 0.00 -0.36 0.00 0.00 55.97 55.53 1x53 s LYS 12 Cb 0.00 -2.85 0.16 0.00 -1.51 0.00 0.00 37.83 33.64 1x53 s LYS 12 CO 0.21 0.67 0.41 0.42 -0.36 0.00 0.00 175.35 176.70 1x53 s ILE 13 N -1.07 2.07 -0.35 5.43 -1.09 0.87 -4.99 121.20 122.07 1x53 s ILE 13 Ca 0.19 -3.60 -0.15 0.00 -2.23 0.00 0.00 60.65 54.85 1x53 s ILE 13 Cb -0.12 -2.38 -0.01 0.00 -1.58 0.00 0.00 42.46 38.37 1x53 s ILE 13 CO 0.09 -1.03 0.37 -0.89 -1.23 0.00 0.00 174.94 172.25 1x53 s THR 14 N -0.78 5.16 -0.06 2.92 2.01 -1.26 -2.15 115.64 121.48 1x53 s THR 14 Ca 0.25 0.05 0.06 0.00 0.31 0.00 0.00 61.69 62.36 1x53 s THR 14 Cb -0.06 -3.84 -0.01 0.00 0.01 0.00 0.00 72.50 68.60 1x53 s THR 14 CO -0.14 -0.11 -0.24 -0.76 -0.69 0.00 0.00 174.62 172.68 1x53 s LEU 15 N 2.04 2.05 -0.31 4.42 1.43 -0.23 -4.98 118.68 123.11 1x53 s LEU 15 Ca 0.12 -0.49 0.01 0.00 -1.03 0.00 0.00 54.13 52.74 1x53 s LEU 15 Cb -0.16 -1.32 0.10 0.00 0.03 0.00 0.00 46.19 44.83 1x53 s LEU 15 CO 0.12 0.22 0.07 -0.54 0.23 0.00 0.00 176.35 176.45 1x53 s LYS 16 N -0.07 1.03 0.17 1.70 3.01 -1.26 0.44 119.74 124.75 1x53 s LYS 16 Ca -0.05 -1.30 0.10 0.00 -1.01 0.00 0.00 55.97 53.70 1x53 s LYS 16 Cb -0.14 -2.43 -0.04 0.00 -1.01 0.00 0.00 37.83 34.21 1x53 s LYS 16 CO 0.04 -0.93 -0.18 -2.00 0.51 0.00 0.00 175.35 172.80 1x53 s GLU 17 N 1.38 1.76 -0.19 1.68 2.56 -1.06 -4.98 118.70 119.85 1x53 s GLU 17 Ca 0.08 -1.36 -0.06 0.00 0.00 0.00 0.00 54.97 53.64 1x53 s GLU 17 Cb -0.18 -2.01 -0.03 0.00 2.00 0.00 0.00 34.13 33.90 1x53 s GLU 17 CO -0.18 0.43 0.03 0.99 -0.56 0.00 0.00 175.26 175.97 1x53 s THR 18 N -1.56 4.35 -0.10 -1.70 2.01 -1.26 -1.25 115.64 116.12 1x53 s THR 18 Ca 0.21 -0.18 -0.04 0.00 0.31 0.00 0.00 61.69 61.99 1x53 s THR 18 Cb -0.09 -2.96 -0.04 0.00 0.01 0.00 0.00 72.50 69.43 1x53 s THR 18 CO 0.12 0.44 0.05 -0.36 -0.69 0.00 0.00 174.62 174.18 1x53 s PHE 19 N 0.67 3.32 -0.06 4.92 0.40 0.77 -4.73 117.98 123.27 1x53 s PHE 19 Ca 0.01 0.31 -0.00 0.00 -0.60 0.00 0.00 56.93 56.65 1x53 s PHE 19 Cb -0.14 -1.85 0.04 0.00 0.51 0.00 0.00 43.02 41.58 1x53 s PHE 19 CO 0.02 0.56 1.96 1.28 0.70 0.00 0.00 175.22 179.73 1x53 n LEU 20 N 2.12 5.44 -4.00 -0.37 7.99 0.81 0.11 117.00 129.10 1x53 n LEU 20 Ca -0.19 -2.52 -0.09 0.00 -0.01 0.00 0.00 56.01 53.20 1x53 n LEU 20 Cb 0.54 -1.09 -0.08 0.00 -0.11 0.00 0.00 43.42 42.68 1x53 n LEU 20 CO 0.29 1.02 -0.14 0.28 -1.51 0.00 0.00 177.39 177.33 1x53 s THR 21 N -0.40 0.11 0.54 -5.08 -1.32 -1.19 -4.83 115.64 103.46 1x53 s THR 21 Ca 0.05 -1.52 -0.17 0.00 -1.21 0.00 0.00 61.69 58.85 1x53 s THR 21 Cb 0.04 -1.74 -0.06 0.00 -1.51 0.00 0.00 72.50 69.23 1x53 s THR 21 CO -0.00 -0.50 1.02 -0.44 -2.21 0.00 0.00 174.62 172.49 1x53 s SER 22 N -2.96 6.24 0.12 8.08 0.01 -1.26 -1.64 113.70 122.30 1x53 s SER 22 Ca 0.15 1.74 -0.33 0.00 1.31 0.00 0.00 55.95 58.81 1x53 s SER 22 Cb 0.05 -2.53 -0.12 0.00 0.21 0.00 0.00 66.02 63.63 1x53 s SER 22 CO -0.03 -0.85 1.54 -0.65 0.41 0.00 0.00 173.24 173.66 1x53 h PRO 23 N 0.87 -0.52 -1.36 12.44 0.11 -1.89 0.09 132.00 141.74 1x53 h PRO 23 Ca -0.47 0.04 0.43 0.00 0.11 0.00 0.00 66.00 66.11 1x53 h PRO 23 Cb 1.20 0.12 -0.12 0.00 0.11 0.00 0.00 31.00 32.31 1x53 h PRO 23 CO 0.59 -0.34 0.89 1.05 -0.21 0.00 0.00 178.00 179.98 1x53 h GLU 24 N -0.53 0.09 0.05 1.05 4.11 -1.94 0.50 114.58 117.91 1x53 h GLU 24 Ca 0.04 -0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.46 1x53 h GLU 24 Cb 0.65 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1x53 h GLU 24 CO -0.47 0.06 -0.02 1.49 0.07 0.00 0.00 179.01 180.14 1x53 h GLU 25 N 0.09 -0.06 -0.10 1.06 4.57 -1.36 -3.14 114.58 115.64 1x53 h GLU 25 Ca 0.81 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 59.02 1x53 h GLU 25 Cb 2.60 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 31.20 1x53 h GLU 25 CO -0.36 -0.04 0.20 1.25 -1.18 0.00 0.00 179.01 178.88 1x53 h LEU 26 N -0.09 0.00 -1.98 1.64 5.85 -0.99 0.42 115.31 120.16 1x53 h LEU 26 Ca -0.01 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1x53 h LEU 26 Cb 0.05 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.08 1x53 h LEU 26 CO 0.01 0.00 -0.08 0.22 -0.34 0.00 0.00 178.44 178.25 1x53 h TYR 27 N 0.00 0.00 0.00 1.25 3.20 -0.00 -2.96 116.97 118.45 1x53 h TYR 27 Ca 0.05 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.86 1x53 h TYR 27 Cb 0.45 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 1x53 h TYR 27 CO 0.00 0.08 -0.38 0.00 -1.64 0.00 0.00 178.16 176.21 1x53 h ARG 28 N 0.00 0.00 -1.84 1.82 3.08 -0.89 -2.66 114.38 113.88 1x53 h ARG 28 Ca -0.00 0.00 0.54 0.00 0.07 0.00 0.00 59.98 60.59 1x53 h ARG 28 Cb 0.16 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.13 1x53 h ARG 28 CO 0.01 0.55 1.32 0.28 -1.07 0.00 0.00 179.97 181.06 1x53 h VAL 29 N -1.00 0.06 0.00 2.04 2.07 -1.50 2.30 116.25 120.23 1x53 h VAL 29 Ca -0.08 -0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.26 1x53 h VAL 29 Cb 0.72 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1x53 h VAL 29 CO -0.05 0.00 -1.81 0.49 0.02 0.00 0.00 177.57 176.22 1x53 n PHE 30 N -4.01 0.47 -1.44 1.57 3.01 -1.13 -3.99 117.46 111.94 1x53 n PHE 30 Ca 0.42 0.15 -0.03 0.00 1.01 0.00 0.00 57.45 59.00 1x53 n PHE 30 Cb 1.89 -0.91 0.20 0.00 -0.01 0.00 0.00 39.48 40.65 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 -2.68 2.52 -3.48 4.37 -2.24 0.65 -4.89 114.28 108.53 1x53 n THR 31 Ca -0.14 -2.73 -0.20 0.00 -2.27 0.00 0.00 64.05 58.71 1x53 n THR 31 Cb 0.85 -0.31 -0.12 0.00 -2.10 0.00 0.00 70.33 68.64 1x53 n THR 31 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1x53 s THR 32 N -3.23 -0.29 0.07 4.28 2.01 0.52 -4.46 115.64 114.54 1x53 s THR 32 Ca 0.44 -0.35 -0.16 0.00 0.31 0.00 0.00 61.69 61.93 1x53 s THR 32 Cb 0.40 -0.83 -0.05 0.00 0.01 0.00 0.00 72.50 72.04 1x53 s THR 32 CO -0.00 -0.39 1.27 -0.61 -0.69 0.00 0.00 174.62 174.20 1x53 h GLN 33 N 8.32 -0.09 -0.79 4.92 4.15 -1.86 -0.97 115.11 128.79 1x53 h GLN 33 Ca -0.16 0.01 0.07 0.00 0.77 0.00 0.00 58.65 59.33 1x53 h GLN 33 Cb 1.10 0.02 -0.09 0.00 0.21 0.00 0.00 27.48 28.72 1x53 h GLN 33 CO 0.33 -0.06 -0.46 -1.91 -1.93 0.00 0.00 178.83 174.79 1x53 n GLU 34 N -4.08 -0.35 -0.33 1.69 2.13 -1.26 0.14 120.64 118.58 1x53 n GLU 34 Ca -0.00 1.35 0.24 0.00 0.66 0.00 0.00 57.16 59.40 1x53 n GLU 34 Cb 0.15 -1.99 0.52 0.00 0.27 0.00 0.00 31.44 30.39 1x53 n GLU 34 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1x53 h LEU 35 N 0.00 0.43 -0.23 4.31 3.38 -1.66 0.10 115.31 121.63 1x53 h LEU 35 Ca 0.13 0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.13 1x53 h LEU 35 Cb 0.32 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1x53 h LEU 35 CO -0.74 0.07 -0.05 0.58 0.09 0.00 0.00 178.44 178.39 1x53 h VAL 36 N 0.37 1.28 0.00 1.22 2.07 0.25 -2.44 116.25 119.00 1x53 h VAL 36 Ca 0.60 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 67.07 1x53 h VAL 36 Cb 1.56 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 32.82 1x53 h VAL 36 CO -0.29 0.32 0.00 0.00 0.02 0.00 0.00 177.57 177.62 1x53 n GLN 37 N -4.58 0.25 -0.10 1.57 6.02 0.31 -1.69 117.38 119.16 1x53 n GLN 37 Ca -0.04 0.09 -0.21 0.00 -0.01 0.00 0.00 57.00 56.82 1x53 n GLN 37 Cb 0.29 -1.50 -0.11 0.00 1.02 0.00 0.00 30.24 29.94 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 -1.13 0.78 1.08 -1.58 0.00 -0.91 -2.64 120.51 116.11 1x53 n ALA 38 Ca 0.07 -0.50 0.08 0.00 0.00 0.00 0.00 53.44 53.08 1x53 n ALA 38 Cb 0.06 -0.51 0.26 0.00 0.00 0.00 0.00 19.45 19.25 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 -4.44 0.34 0.00 0.00 1.16 -1.09 -3.72 117.46 109.71 1x53 n PHE 39 Ca -0.32 -0.17 0.00 0.00 -1.87 0.00 0.00 57.45 55.10 1x53 n PHE 39 Cb 0.67 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.54 1x53 n PHE 39 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 1x53 n THR 40 N 0.38 0.00 -4.26 1.97 -2.24 -0.68 -4.66 114.28 104.78 1x53 n THR 40 Ca 0.13 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.57 1x53 n THR 40 Cb 0.30 0.31 -0.05 0.00 -2.10 0.00 0.00 70.33 68.79 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 -1.56 -1.50 -3.56 4.78 8.25 -1.08 -4.79 115.22 115.77 1x53 n HIS 41 Ca 0.00 0.73 -0.17 0.00 -0.26 0.00 0.00 57.72 58.02 1x53 n HIS 41 Cb 0.06 -2.83 -0.06 0.00 1.12 0.00 0.00 29.99 28.28 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 -3.63 -1.61 -0.87 -1.41 0.00 -1.26 -4.95 121.76 108.04 1x53 s ALA 42 Ca 0.47 1.14 -0.21 0.00 0.00 0.00 0.00 51.96 53.37 1x53 s ALA 42 Cb -0.27 0.03 -0.22 0.00 0.00 0.00 0.00 23.12 22.66 1x53 s ALA 42 CO 0.96 -0.36 2.38 -2.30 0.00 0.00 0.00 175.76 176.44 1x53 n PRO 43 N 0.94 0.30 -4.89 0.00 -0.02 -1.26 -4.59 135.00 125.49 1x53 n PRO 43 Ca -0.19 -0.21 -0.33 0.00 -2.02 0.00 0.00 63.50 60.75 1x53 n PRO 43 Cb 0.57 -2.16 -0.13 0.00 -0.02 0.00 0.00 33.50 31.76 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 7.64 2.66 -0.33 3.55 0.00 -1.26 -3.83 121.76 130.19 1x53 s ALA 44 Ca 1.18 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 52.18 1x53 s ALA 44 Cb -0.66 -0.96 0.10 0.00 0.00 0.00 0.00 23.12 21.60 1x53 s ALA 44 CO 0.38 0.56 0.09 0.99 0.00 0.00 0.00 175.76 177.77 1x53 s THR 45 N -0.74 1.59 -0.09 0.00 2.01 0.32 -4.82 115.64 113.92 1x53 s THR 45 Ca 0.12 -1.94 -0.01 0.00 0.31 0.00 0.00 61.69 60.17 1x53 s THR 45 Cb -0.11 -2.18 -0.03 0.00 0.01 0.00 0.00 72.50 70.19 1x53 s THR 45 CO 0.01 -0.65 -0.04 -0.22 -0.69 0.00 0.00 174.62 173.02 1x53 s LEU 46 N 1.19 3.33 -0.36 4.42 0.20 -1.26 -0.15 118.68 126.05 1x53 s LEU 46 Ca 0.11 0.02 0.01 0.00 0.69 0.00 0.00 54.13 54.96 1x53 s LEU 46 Cb -0.19 -1.75 0.11 0.00 -0.43 0.00 0.00 46.19 43.93 1x53 s LEU 46 CO -0.16 0.34 0.13 -1.61 -0.29 0.00 0.00 176.35 174.76 1x53 s GLU 47 N -0.64 1.02 -0.65 1.98 0.41 -1.05 -4.07 118.70 115.70 1x53 s GLU 47 Ca 0.10 -1.50 -0.26 0.00 -0.41 0.00 0.00 54.97 52.90 1x53 s GLU 47 Cb -0.12 -2.31 -0.08 0.00 -1.78 0.00 0.00 34.13 29.85 1x53 s GLU 47 CO 0.02 -1.03 2.25 0.00 -0.49 0.00 0.00 175.26 176.01 1x53 s ALA 48 N 1.10 1.47 -0.25 5.21 0.00 -1.26 -4.32 121.76 123.70 1x53 s ALA 48 Ca 0.12 -0.51 -0.28 0.00 0.00 0.00 0.00 51.96 51.28 1x53 s ALA 48 Cb -0.20 -4.43 0.17 0.00 0.00 0.00 0.00 23.12 18.66 1x53 s ALA 48 CO -0.15 -4.81 1.25 -0.51 0.00 0.00 0.00 175.76 171.54 1x53 s ASP 49 N 10.60 -0.16 -0.54 0.00 1.01 -1.26 -5.01 116.67 121.31 1x53 s ASP 49 Ca 0.87 0.21 -0.26 0.00 0.71 0.00 0.00 52.55 54.08 1x53 s ASP 49 Cb -0.14 0.18 -0.08 0.00 1.01 0.00 0.00 42.92 43.89 1x53 s ASP 49 CO 0.17 -0.13 2.43 0.54 0.21 0.00 0.00 175.17 178.39 1x53 n ARG 50 N 0.86 0.95 0.00 8.23 1.74 -1.26 -0.14 116.66 127.05 1x53 n ARG 50 Ca -0.05 -0.12 0.00 0.00 -0.77 0.00 0.00 57.85 56.91 1x53 n ARG 50 Cb 0.58 -3.44 0.00 0.00 -1.02 0.00 0.00 32.46 28.58 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 6.12 0.73 3.56 -0.13 0.00 0.58 -4.97 105.19 111.07 1x53 n GLY 51 Ca 0.39 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.12 1x53 n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x53 s GLY 52 N -1.29 1.58 -0.08 -0.02 0.00 0.80 -4.37 107.32 103.94 1x53 s GLY 52 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 44.72 44.72 1x53 s GLY 52 CO 0.00 0.63 -0.11 0.54 0.00 0.00 0.00 173.10 174.16 1x53 s LYS 53 N -4.58 2.90 -0.18 2.90 3.01 -1.26 -0.94 119.74 121.60 1x53 s LYS 53 Ca 0.67 -0.63 0.01 0.00 -1.01 0.00 0.00 55.97 55.02 1x53 s LYS 53 Cb -0.23 -2.56 0.03 0.00 -1.01 0.00 0.00 37.83 34.05 1x53 s LYS 53 CO 0.62 0.51 -0.16 -0.59 0.51 0.00 0.00 175.35 176.24 1x53 s PHE 54 N -0.41 2.57 -0.07 3.18 -0.12 -1.22 -2.54 117.98 119.37 1x53 s PHE 54 Ca 0.05 -1.55 0.05 0.00 -0.05 0.00 0.00 56.93 55.43 1x53 s PHE 54 Cb -0.12 -1.78 -0.00 0.00 -0.63 0.00 0.00 43.02 40.48 1x53 s PHE 54 CO 0.02 -0.76 -0.23 -1.58 -0.05 0.00 0.00 175.22 172.62 1x53 s HIS 55 N 1.35 2.36 0.21 3.49 2.46 0.79 -2.53 115.29 123.41 1x53 s HIS 55 Ca 0.03 -0.82 -0.10 0.00 0.47 0.00 0.00 55.06 54.64 1x53 s HIS 55 Cb -0.14 -1.57 -0.01 0.00 -0.13 0.00 0.00 32.58 30.73 1x53 s HIS 55 CO -0.11 -0.30 0.36 0.00 -2.47 0.00 0.00 174.74 172.22 1x53 s MET 56 N 0.11 1.35 -0.47 2.88 0.23 -0.79 0.12 119.30 122.73 1x53 s MET 56 Ca -0.11 -1.27 -0.01 0.00 -1.03 0.00 0.00 55.69 53.28 1x53 s MET 56 Cb -0.15 0.41 -0.01 0.00 -1.53 0.00 0.00 34.83 33.54 1x53 s MET 56 CO 0.06 -0.53 0.40 0.28 -2.03 0.00 0.00 175.02 173.20 1x53 n VAL 57 N -0.30 -3.32 -2.63 5.16 0.31 -1.26 -2.12 118.33 114.16 1x53 n VAL 57 Ca -0.03 -0.36 -0.16 0.00 -0.01 0.00 0.00 64.34 63.77 1x53 n VAL 57 Cb 0.63 -3.94 -0.00 0.00 -0.91 0.00 0.00 33.84 29.62 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 -2.02 -4.39 -1.71 4.52 9.92 -1.26 -1.78 116.55 119.84 1x53 n ASP 58 Ca -0.08 0.03 -0.05 0.00 -0.53 0.00 0.00 54.79 54.16 1x53 n ASP 58 Cb 0.56 -3.68 0.03 0.00 -0.64 0.00 0.00 41.12 37.39 1x53 n ASP 58 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1x53 n GLY 59 N -0.96 0.22 0.00 0.44 0.00 -1.21 -4.95 105.19 98.73 1x53 n GLY 59 Ca -0.14 -0.31 0.02 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.55 3.82 -3.85 1.61 3.02 -0.73 -4.78 115.26 112.80 1x53 n ASN 60 Ca -0.08 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.20 1x53 n ASN 60 Cb 0.55 1.19 -0.17 0.00 -0.61 0.00 0.00 39.78 40.74 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 -2.34 0.90 0.10 2.41 1.01 -0.91 0.15 120.40 121.72 1x53 s VAL 61 Ca -0.02 -0.42 0.06 0.00 0.00 0.00 0.00 61.98 61.60 1x53 s VAL 61 Cb 0.03 -1.07 -0.03 0.00 0.00 0.00 0.00 36.38 35.30 1x53 s VAL 61 CO 0.21 0.16 -0.14 -0.94 0.00 0.00 0.00 175.10 174.40 1x53 s SER 62 N 1.73 1.85 0.00 3.32 1.04 -1.14 -1.89 113.70 118.62 1x53 s SER 62 Ca 0.02 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 55.74 1x53 s SER 62 Cb -0.14 -0.06 0.00 0.00 0.10 0.00 0.00 66.02 65.92 1x53 s SER 62 CO -0.07 -0.11 0.00 0.61 0.98 0.00 0.00 173.24 174.65 1x53 n GLY 63 N 0.90 3.33 3.29 7.32 0.00 -1.05 -3.08 105.19 115.90 1x53 n GLY 63 Ca -0.18 -0.81 -0.12 0.00 0.00 0.00 0.00 46.02 44.91 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 1.12 0.44 -0.13 1.61 -1.05 -1.24 -3.46 118.70 115.98 1x53 s GLU 64 Ca 0.00 0.68 -0.29 0.00 -0.15 0.00 0.00 54.97 55.21 1x53 s GLU 64 Cb 0.00 0.10 -0.02 0.00 -0.44 0.00 0.00 34.13 33.78 1x53 s GLU 64 CO 0.00 -0.11 1.19 -0.06 0.95 0.00 0.00 175.26 177.24 1x53 s PHE 65 N 0.82 3.08 -0.20 4.83 0.40 -0.11 -1.15 117.98 125.64 1x53 s PHE 65 Ca -0.05 1.18 0.06 0.00 -0.60 0.00 0.00 56.93 57.52 1x53 s PHE 65 Cb -0.06 -3.42 -0.16 0.00 0.51 0.00 0.00 43.02 39.89 1x53 s PHE 65 CO -0.06 -1.30 -0.12 0.25 0.70 0.00 0.00 175.22 174.69 1x53 n THR 66 N 5.03 1.23 -3.88 0.64 -2.24 0.13 0.21 114.28 115.40 1x53 n THR 66 Ca 0.12 -0.55 -0.11 0.00 -2.27 0.00 0.00 64.05 61.23 1x53 n THR 66 Cb 0.46 -1.05 -0.13 0.00 -2.10 0.00 0.00 70.33 67.51 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 -5.81 0.01 -0.18 3.42 -1.08 -0.25 -4.77 116.67 108.01 1x53 s ASP 67 Ca -0.23 -0.04 -0.04 0.00 -0.52 0.00 0.00 52.55 51.72 1x53 s ASP 67 Cb 0.07 0.11 0.08 0.00 -1.46 0.00 0.00 42.92 41.72 1x53 s ASP 67 CO 0.56 -0.10 0.18 -0.76 0.52 0.00 0.00 175.17 175.57 1x53 s LEU 68 N -0.38 0.02 -0.07 -1.34 1.43 -1.26 -1.22 118.68 115.86 1x53 s LEU 68 Ca -0.04 -0.26 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 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 -0.32 -0.08 -0.69 0.23 0.00 0.00 176.35 175.48 1x53 s VAL 69 N 2.27 3.57 -0.34 -1.59 1.01 -0.78 -5.04 120.40 119.50 1x53 s VAL 69 Ca 0.05 -0.52 -0.39 0.00 0.00 0.00 0.00 61.98 61.12 1x53 s VAL 69 Cb -0.15 -2.46 -0.14 0.00 0.00 0.00 0.00 36.38 33.63 1x53 s VAL 69 CO -0.10 0.59 1.99 -2.65 0.00 0.00 0.00 175.10 174.92 1x53 n PRO 70 N 2.37 0.94 -3.16 2.72 -0.02 -1.26 -2.26 135.00 134.32 1x53 n PRO 70 Ca -0.18 0.30 -0.13 0.00 -2.02 0.00 0.00 63.50 61.48 1x53 n PRO 70 Cb 0.53 -2.15 -0.04 0.00 -0.02 0.00 0.00 33.50 31.82 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 6.84 -0.97 0.09 -0.52 1.02 -1.26 -4.64 120.64 121.20 1x53 n GLU 71 Ca 0.37 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.55 1x53 n GLU 71 Cb 0.14 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 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 -2.36 0.00 -3.57 3.49 4.76 -0.96 -4.82 118.16 114.71 1x53 n LYS 72 Ca -0.11 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.24 1x53 n LYS 72 Cb 0.26 -0.31 -0.02 0.00 -1.84 0.00 0.00 35.03 33.13 1x53 n LYS 72 CO 0.00 0.00 0.00 -3.38 -1.37 0.00 0.00 177.40 172.65 1x53 s HIS 73 N -2.00 -0.36 -0.03 2.13 -3.43 -1.24 -1.45 115.29 108.91 1x53 s HIS 73 Ca 0.00 0.12 0.00 0.00 -0.80 0.00 0.00 55.06 54.38 1x53 s HIS 73 Cb 0.00 0.59 0.03 0.00 -1.43 0.00 0.00 32.58 31.77 1x53 s HIS 73 CO 0.00 -0.83 0.01 0.42 -2.00 0.00 0.00 174.74 172.35 1x53 s ILE 74 N -3.53 0.09 -0.19 -5.38 1.01 0.10 -1.87 121.20 111.43 1x53 s ILE 74 Ca 0.05 0.15 0.01 0.00 0.00 0.00 0.00 60.65 60.86 1x53 s ILE 74 Cb -0.02 -0.21 0.02 0.00 0.01 0.00 0.00 42.46 42.26 1x53 s ILE 74 CO -0.06 0.13 -0.18 -0.69 0.00 0.00 0.00 174.94 174.14 1x53 s VAL 75 N 1.13 2.18 0.32 2.92 1.01 -0.35 0.65 120.40 128.26 1x53 s VAL 75 Ca -0.08 -0.93 -0.08 0.00 0.00 0.00 0.00 61.98 60.89 1x53 s VAL 75 Cb -0.13 -1.93 0.01 0.00 0.00 0.00 0.00 36.38 34.32 1x53 s VAL 75 CO -0.02 0.51 0.53 0.00 0.00 0.00 0.00 175.10 176.11 1x53 s MET 76 N 1.30 1.84 0.23 2.72 0.23 0.15 0.21 119.30 125.97 1x53 s MET 76 Ca 0.05 -1.54 -0.02 0.00 -1.03 0.00 0.00 55.69 53.14 1x53 s MET 76 Cb -0.13 0.48 -0.05 0.00 -1.53 0.00 0.00 34.83 33.60 1x53 s MET 76 CO -0.12 -0.78 0.44 0.15 -2.03 0.00 0.00 175.02 172.68 1x53 s LYS 77 N -3.25 3.57 -0.05 3.16 1.02 -0.30 -0.39 119.74 123.49 1x53 s LYS 77 Ca 0.25 -0.21 -0.02 0.00 0.02 0.00 0.00 55.97 56.02 1x53 s LYS 77 Cb -0.01 -2.78 0.03 0.00 -0.52 0.00 0.00 37.83 34.56 1x53 s LYS 77 CO 0.15 0.35 0.11 -0.46 -0.92 0.00 0.00 175.35 174.58 1x53 s TRP 78 N -1.92 -0.11 0.19 3.18 -0.00 -0.00 -3.71 118.94 116.57 1x53 s TRP 78 Ca 0.40 0.38 -0.20 0.00 -0.00 0.00 0.00 56.10 56.68 1x53 s TRP 78 Cb -0.11 -0.11 0.04 0.00 -0.00 0.00 0.00 33.47 33.29 1x53 s TRP 78 CO 0.29 -0.14 0.58 -0.98 -0.00 0.00 0.00 176.95 176.70 1x53 s ARG 79 N 1.06 1.40 0.21 5.86 1.70 -1.18 -0.71 118.95 127.30 1x53 s ARG 79 Ca -0.08 -0.74 0.00 0.00 -0.47 0.00 0.00 55.73 54.44 1x53 s ARG 79 Cb -0.11 0.56 -0.04 0.00 -0.57 0.00 0.00 34.95 34.79 1x53 s ARG 79 CO -0.05 -0.61 0.39 -0.06 -1.08 0.00 0.00 175.30 173.89 1x53 s PHE 80 N -3.83 3.48 -1.73 5.89 0.08 -1.26 -2.88 117.98 117.73 1x53 s PHE 80 Ca 0.06 0.28 0.12 0.00 0.12 0.00 0.00 56.93 57.51 1x53 s PHE 80 Cb -0.02 -1.81 0.65 0.00 -0.57 0.00 0.00 43.02 41.28 1x53 s PHE 80 CO -0.05 0.38 1.21 1.17 -0.10 0.00 0.00 175.22 177.82 1x53 n LYS 81 N -0.83 0.28 -0.00 0.44 0.00 0.41 -1.78 118.16 116.68 1x53 n LYS 81 Ca -0.05 0.08 0.04 0.00 0.00 0.00 0.00 58.31 58.37 1x53 n LYS 81 Cb 0.54 -1.50 -0.06 0.00 0.00 0.00 0.00 35.03 34.01 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 -1.13 3.25 -4.46 3.14 2.88 -1.26 -5.04 113.62 111.00 1x53 n SER 82 Ca 0.07 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.29 1x53 n SER 82 Cb 0.07 1.32 0.13 0.00 -0.75 0.00 0.00 64.21 64.97 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 -1.79 -1.08 -2.00 0.66 7.02 -0.73 -4.91 117.44 114.61 1x53 n TRP 83 Ca -0.02 0.26 -0.40 0.00 -1.02 0.00 0.00 57.50 56.32 1x53 n TRP 83 Cb 0.22 -1.82 -0.01 0.00 -2.42 0.00 0.00 31.31 27.29 1x53 n TRP 83 CO 0.00 0.00 0.00 -1.25 -2.02 0.00 0.00 177.69 174.42 1x53 s PRO 84 N -3.80 4.15 0.58 -0.99 0.04 -1.26 -4.94 135.00 128.78 1x53 s PRO 84 Ca 0.58 2.30 -0.19 0.00 0.04 0.00 0.00 61.00 63.74 1x53 s PRO 84 Cb -0.21 -2.94 -0.06 0.00 0.04 0.00 0.00 34.50 31.33 1x53 s PRO 84 CO 0.66 -0.39 0.85 -1.91 0.04 0.00 0.00 177.00 176.25 1x53 n GLU 85 N 0.47 0.82 -3.25 4.56 2.13 -1.26 -2.22 120.64 121.89 1x53 n GLU 85 Ca 0.02 0.32 -0.23 0.00 0.66 0.00 0.00 57.16 57.92 1x53 n GLU 85 Cb 0.42 -2.04 0.02 0.00 0.27 0.00 0.00 31.44 30.11 1x53 n GLU 85 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1x53 n GLY 86 N 1.41 -0.51 2.67 8.31 0.00 -1.26 -4.96 105.19 110.85 1x53 n GLY 86 Ca 0.13 0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.12 1.07 0.28 1.61 2.46 -0.94 -5.13 115.29 111.53 1x53 s HIS 87 Ca 0.39 -1.22 0.06 0.00 0.47 0.00 0.00 55.06 54.76 1x53 s HIS 87 Cb -0.19 -1.27 -0.06 0.00 -0.13 0.00 0.00 32.58 30.94 1x53 s HIS 87 CO 0.48 -0.79 -0.03 -0.06 -2.47 0.00 0.00 174.74 171.87 1x53 s PHE 88 N 1.84 1.92 -0.11 3.88 0.40 -1.26 -4.75 117.98 119.89 1x53 s PHE 88 Ca 0.07 -0.77 0.02 0.00 -0.60 0.00 0.00 56.93 55.64 1x53 s PHE 88 Cb -0.17 -1.13 -0.01 0.00 0.51 0.00 0.00 43.02 42.22 1x53 s PHE 88 CO -0.24 0.20 -0.17 0.00 0.70 0.00 0.00 175.22 175.71 1x53 s ALA 89 N -3.10 2.48 -0.52 5.36 0.00 0.11 -4.80 121.76 121.29 1x53 s ALA 89 Ca 0.31 -0.93 -0.28 0.00 0.00 0.00 0.00 51.96 51.05 1x53 s ALA 89 Cb 0.05 -1.05 0.01 0.00 0.00 0.00 0.00 23.12 22.14 1x53 s ALA 89 CO 0.12 0.31 1.40 0.99 0.00 0.00 0.00 175.76 178.57 1x53 s THR 90 N 0.19 3.84 -0.18 0.00 2.01 -1.13 -0.82 115.64 119.55 1x53 s THR 90 Ca -0.10 0.77 -0.05 0.00 0.31 0.00 0.00 61.69 62.62 1x53 s THR 90 Cb -0.16 -4.39 -0.03 0.00 0.01 0.00 0.00 72.50 67.93 1x53 s THR 90 CO 0.06 -1.06 -0.00 -0.63 -0.69 0.00 0.00 174.62 172.30 1x53 s ILE 91 N 5.81 4.10 -0.32 1.82 1.09 0.47 -2.06 121.20 132.11 1x53 s ILE 91 Ca 0.54 -0.27 0.02 0.00 -1.10 0.00 0.00 60.65 59.83 1x53 s ILE 91 Cb -0.11 -2.83 0.10 0.00 -1.06 0.00 0.00 42.46 38.56 1x53 s ILE 91 CO 0.27 0.46 0.07 -0.89 -0.10 0.00 0.00 174.94 174.76 1x53 s THR 92 N 0.60 1.56 0.40 2.92 2.01 -0.74 -0.68 115.64 121.72 1x53 s THR 92 Ca -0.01 -1.85 -0.13 0.00 0.31 0.00 0.00 61.69 60.01 1x53 s THR 92 Cb -0.14 -2.16 -0.08 0.00 0.01 0.00 0.00 72.50 70.13 1x53 s THR 92 CO 0.02 -0.63 0.80 -0.76 -0.69 0.00 0.00 174.62 173.36 1x53 s LEU 93 N 1.27 3.88 -0.02 4.42 1.43 0.21 -2.70 118.68 127.16 1x53 s LEU 93 Ca 0.10 1.27 -0.00 0.00 -1.03 0.00 0.00 54.13 54.47 1x53 s LEU 93 Cb -0.18 -4.14 0.03 0.00 0.03 0.00 0.00 46.19 41.93 1x53 s LEU 93 CO -0.17 -0.37 0.04 -0.89 0.23 0.00 0.00 176.35 175.20 1x53 s THR 94 N -2.28 -0.07 -0.27 5.49 2.01 -1.19 0.01 115.64 119.34 1x53 s THR 94 Ca 0.54 0.26 -0.12 0.00 0.31 0.00 0.00 61.69 62.68 1x53 s THR 94 Cb -0.10 -0.10 -0.05 0.00 0.01 0.00 0.00 72.50 72.27 1x53 s THR 94 CO 0.26 0.11 0.23 -0.36 -0.69 0.00 0.00 174.62 174.17 1x53 s PHE 95 N 1.28 3.25 0.08 4.92 0.40 -0.53 -2.12 117.98 125.25 1x53 s PHE 95 Ca -0.06 0.21 0.06 0.00 -0.60 0.00 0.00 56.93 56.54 1x53 s PHE 95 Cb -0.13 -2.41 -0.04 0.00 0.51 0.00 0.00 43.02 40.96 1x53 s PHE 95 CO -0.03 -0.13 -0.09 0.42 0.70 0.00 0.00 175.22 176.09 1x53 s ILE 96 N 1.69 3.45 -0.16 0.64 1.01 -1.17 -4.70 121.20 121.96 1x53 s ILE 96 Ca 0.09 -1.12 -0.13 0.00 0.00 0.00 0.00 60.65 59.49 1x53 s ILE 96 Cb -0.16 -2.58 -0.05 0.00 0.01 0.00 0.00 42.46 39.69 1x53 s ILE 96 CO 0.10 0.19 0.25 -0.62 0.00 0.00 0.00 174.94 174.86 1x53 s ASP 97 N -1.98 6.39 -0.03 3.58 2.15 -1.26 -2.78 116.67 122.74 1x53 s ASP 97 Ca 0.20 0.46 0.04 0.00 0.43 0.00 0.00 52.55 53.68 1x53 s ASP 97 Cb -0.11 -2.16 0.07 0.00 -0.30 0.00 0.00 42.92 40.42 1x53 s ASP 97 CO 0.12 0.13 0.92 0.29 -0.17 0.00 0.00 175.17 176.47 1x53 n LYS 98 N 3.47 1.54 -2.55 4.34 4.76 -0.69 -4.98 118.16 124.05 1x53 n LYS 98 Ca -0.13 -1.47 -0.07 0.00 -2.87 0.00 0.00 58.31 53.77 1x53 n LYS 98 Cb 0.52 -0.94 0.04 0.00 -1.84 0.00 0.00 35.03 32.80 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 -0.55 -2.25 0.00 4.39 5.15 -1.26 -4.42 115.26 116.32 1x53 n ASN 99 Ca 0.04 -0.26 0.00 0.00 -0.60 0.00 0.00 54.58 53.75 1x53 n ASN 99 Cb 0.45 -2.44 0.00 0.00 -0.53 0.00 0.00 39.78 37.27 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 -1.10 3.12 3.34 8.20 0.00 -1.26 -5.12 105.19 112.37 1x53 n GLY 100 Ca -0.11 -0.44 -0.22 0.00 0.00 0.00 0.00 46.02 45.25 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 1.30 -0.16 1.61 2.02 -1.26 -3.19 118.70 119.02 1x53 s GLU 101 Ca 0.00 -1.42 0.01 0.00 0.02 0.00 0.00 54.97 53.58 1x53 s GLU 101 Cb 0.00 -1.39 0.01 0.00 0.10 0.00 0.00 34.13 32.85 1x53 s GLU 101 CO 0.00 0.28 -0.19 0.99 0.02 0.00 0.00 175.26 176.37 1x53 s THR 102 N -2.01 2.30 -0.57 3.63 2.01 0.12 -1.70 115.64 119.42 1x53 s THR 102 Ca 0.16 -0.88 -0.21 0.00 0.31 0.00 0.00 61.69 61.07 1x53 s THR 102 Cb -0.06 -1.96 0.07 0.00 0.01 0.00 0.00 72.50 70.57 1x53 s THR 102 CO 0.07 0.53 0.77 -0.70 -0.69 0.00 0.00 174.62 174.60 1x53 s GLU 103 N 0.98 3.13 -0.44 4.92 2.56 -1.12 -0.16 118.70 128.56 1x53 s GLU 103 Ca -0.03 -0.91 -0.26 0.00 0.00 0.00 0.00 54.97 53.77 1x53 s GLU 103 Cb -0.15 -4.17 0.02 0.00 2.00 0.00 0.00 34.13 31.83 1x53 s GLU 103 CO -0.04 -1.50 0.94 -1.17 -0.56 0.00 0.00 175.26 172.93 1x53 s LEU 104 N 3.18 3.98 -0.74 2.70 2.96 -0.38 -3.04 118.68 127.34 1x53 s LEU 104 Ca 0.18 0.25 -0.15 0.00 -0.22 0.00 0.00 54.13 54.18 1x53 s LEU 104 Cb -0.19 -3.23 0.18 0.00 0.50 0.00 0.00 46.19 43.45 1x53 s LEU 104 CO 0.11 -1.01 0.72 0.00 -1.32 0.00 0.00 176.35 174.84 1x53 s MET 106 N 0.95 4.53 -0.35 0.00 1.75 0.17 -3.14 119.30 123.21 1x53 s MET 106 Ca 0.14 1.36 0.01 0.00 -1.25 0.00 0.00 55.69 55.96 1x53 s MET 106 Cb -0.16 -3.47 0.11 0.00 2.84 0.00 0.00 34.83 34.15 1x53 s MET 106 CO -0.05 -0.07 0.12 -2.00 -0.65 0.00 0.00 175.02 172.37 1x53 s GLU 107 N 1.11 1.03 -0.10 4.11 2.12 -1.10 -1.06 118.70 124.81 1x53 s GLU 107 Ca 0.50 -1.48 -0.02 0.00 0.36 0.00 0.00 54.97 54.34 1x53 s GLU 107 Cb -0.20 -2.36 -0.03 0.00 0.26 0.00 0.00 34.13 31.79 1x53 s GLU 107 CO 0.26 -1.01 -0.03 0.20 -0.54 0.00 0.00 175.26 174.13 1x53 s GLY 108 N 1.16 1.76 -0.12 -1.50 0.00 -0.91 -1.78 107.32 105.92 1x53 s GLY 108 Ca 0.12 -0.84 -0.04 0.00 0.00 0.00 0.00 44.72 43.96 1x53 s GLY 108 CO -0.16 -0.46 0.11 1.09 0.00 0.00 0.00 173.10 173.68 1x53 s ARG 109 N -0.51 0.03 0.00 2.90 1.70 -0.88 -0.09 118.95 122.11 1x53 s ARG 109 Ca 0.08 0.19 0.00 0.00 -0.47 0.00 0.00 55.73 55.53 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 -0.51 0.00 0.41 -1.08 0.00 0.00 175.30 174.14 1x53 n GLY 110 N 5.30 0.14 3.66 3.88 0.00 -1.03 -2.84 105.19 114.30 1x53 n GLY 110 Ca -0.05 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 -0.81 4.47 -0.01 -0.61 1.09 -0.96 -4.54 121.20 119.84 1x53 s ILE 111 Ca 0.00 1.77 -0.38 0.00 -1.10 0.00 0.00 60.65 60.95 1x53 s ILE 111 Cb 0.00 -4.14 -0.16 0.00 -1.06 0.00 0.00 42.46 37.09 1x53 s ILE 111 CO 0.00 -0.15 1.44 -2.65 -0.10 0.00 0.00 174.94 173.48 1x53 n PRO 112 N 6.43 1.13 -0.32 2.79 -0.02 -1.26 0.98 135.00 144.73 1x53 n PRO 112 Ca 0.13 0.41 0.06 0.00 -2.02 0.00 0.00 63.50 62.07 1x53 n PRO 112 Cb 0.45 -2.06 0.21 0.00 -0.02 0.00 0.00 33.50 32.08 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 5.20 1.32 -0.83 3.55 0.00 -1.00 0.32 119.26 127.83 1x53 h ALA 113 Ca -0.47 0.04 0.23 0.00 0.00 0.00 0.00 54.91 54.71 1x53 h ALA 113 Cb 1.33 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 1x53 h ALA 113 CO 0.82 0.08 0.59 -1.35 0.00 0.00 0.00 179.25 179.39 1x53 h PRO 114 N 0.81 0.06 0.00 0.00 0.11 -1.89 -1.60 132.00 129.49 1x53 h PRO 114 Ca 0.45 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.48 1x53 h PRO 114 Cb 0.49 -0.01 -0.17 0.00 0.11 0.00 0.00 31.00 31.42 1x53 h PRO 114 CO -0.29 0.04 -0.71 -0.85 -0.21 0.00 0.00 178.00 175.99 1x53 n GLU 115 N -4.33 0.80 -0.23 1.05 0.28 -0.33 -4.82 120.64 113.06 1x53 n GLU 115 Ca 0.17 -2.59 -0.07 0.00 -0.16 0.00 0.00 57.16 54.51 1x53 n GLU 115 Cb 0.86 -0.85 0.04 0.00 1.43 0.00 0.00 31.44 32.91 1x53 n GLU 115 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 1x53 h GLU 116 N 0.90 0.98 0.19 3.44 4.81 0.62 -2.72 114.58 122.80 1x53 h GLU 116 Ca -0.10 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 58.93 1x53 h GLU 116 Cb 1.41 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.65 1x53 h GLU 116 CO 0.04 0.84 -0.09 1.49 -0.73 0.00 0.00 179.01 180.56 1x53 h GLU 117 N 0.91 -0.24 -0.90 1.92 4.81 -1.86 -3.26 114.58 115.96 1x53 h GLU 117 Ca 0.21 0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.58 1x53 h GLU 117 Cb 0.25 0.06 -0.13 0.00 0.63 0.00 0.00 28.75 29.55 1x53 h GLU 117 CO -0.01 0.01 -0.41 -2.13 -0.73 0.00 0.00 179.01 175.74 1x53 n ARG 118 N -4.93 -0.27 -0.00 1.92 0.63 -1.24 -1.13 116.66 111.64 1x53 n ARG 118 Ca -0.05 1.38 -0.01 0.00 -0.92 0.00 0.00 57.85 58.25 1x53 n ARG 118 Cb 0.18 -2.04 -0.01 0.00 0.45 0.00 0.00 32.46 31.04 1x53 n ARG 118 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 1x53 h THR 119 N 0.00 0.00 -0.95 5.15 2.02 -1.61 0.22 112.91 117.74 1x53 h THR 119 Ca 0.26 0.00 0.29 0.00 0.77 0.00 0.00 66.41 67.73 1x53 h THR 119 Cb 0.49 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 66.73 1x53 h THR 119 CO -0.88 0.00 0.22 -0.09 0.37 0.00 0.00 175.52 175.14 1x53 h ARG 120 N -0.03 0.09 -0.23 6.66 2.43 -1.32 2.23 114.38 124.21 1x53 h ARG 120 Ca 0.00 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 1x53 h ARG 120 Cb 0.04 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1x53 h ARG 120 CO -0.03 0.06 -0.08 1.96 -1.51 0.00 0.00 179.97 180.37 1x53 h GLN 121 N 0.09 0.37 -0.47 0.20 1.08 -0.05 -2.63 115.11 113.70 1x53 h GLN 121 Ca 0.63 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.75 1x53 h GLN 121 Cb 1.40 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.78 1x53 h GLN 121 CO -0.78 0.46 0.00 0.41 -0.95 0.00 0.00 178.83 177.97 1x53 n GLY 122 N -0.85 2.76 0.02 3.46 0.00 0.48 -4.18 105.19 106.88 1x53 n GLY 122 Ca 0.00 -0.56 -0.01 0.00 0.00 0.00 0.00 46.02 45.45 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 0.83 0.28 0.07 1.61 -0.00 0.64 -4.39 117.44 116.48 1x53 n TRP 123 Ca 0.17 0.12 -0.01 0.00 -0.00 0.00 0.00 57.50 57.78 1x53 n TRP 123 Cb 0.54 -0.41 0.26 0.00 -0.00 0.00 0.00 31.31 31.70 1x53 n TRP 123 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 177.69 179.65 1x53 h GLN 124 N -0.30 0.34 -0.26 5.87 7.50 -1.80 0.19 115.11 126.64 1x53 h GLN 124 Ca 0.00 -0.12 0.07 0.00 0.50 0.00 0.00 58.65 59.10 1x53 h GLN 124 Cb 0.15 -0.02 -0.01 0.00 0.05 0.00 0.00 27.48 27.65 1x53 h GLN 124 CO 0.00 0.58 0.61 0.00 -1.50 0.00 0.00 178.83 178.52 1x53 h ARG 125 N 0.30 0.00 0.00 1.46 3.08 -1.79 0.31 114.38 117.74 1x53 h ARG 125 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1x53 h ARG 125 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.67 1x53 h ARG 125 CO 0.04 0.00 -0.94 0.66 -1.07 0.00 0.00 179.97 178.66 1x53 n TYR 126 N -3.09 0.00 0.15 3.04 4.01 -1.01 -3.55 117.16 116.71 1x53 n TYR 126 Ca 0.04 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.72 1x53 n TYR 126 Cb 0.72 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.72 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 -0.37 0.00 -0.72 -1.99 -0.16 -3.29 116.97 110.44 1x53 h TYR 127 Ca 0.00 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1x53 h TYR 127 Cb 0.94 0.12 0.00 0.00 2.00 0.00 0.00 36.73 39.79 1x53 h TYR 127 CO 0.00 -0.23 -0.04 1.19 -0.00 0.00 0.00 178.16 179.08 1x53 n PHE 128 N -3.28 0.04 -0.31 4.88 3.72 -0.52 -3.53 117.46 118.46 1x53 n PHE 128 Ca -0.05 0.02 0.26 0.00 -0.05 0.00 0.00 57.45 57.63 1x53 n PHE 128 Cb 0.16 -0.20 0.44 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 -2.47 -0.02 0.02 -1.08 -0.58 0.98 -0.21 120.64 117.27 1x53 n GLU 129 Ca -0.01 0.80 -0.01 0.00 -0.42 0.00 0.00 57.16 57.52 1x53 n GLU 129 Cb 0.02 -1.59 -0.01 0.00 -0.57 0.00 0.00 31.44 29.30 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 -0.10 -0.09 0.62 0.00 -1.62 -3.24 103.07 98.64 1x53 h GLY 130 Ca 0.57 0.04 0.24 0.00 0.00 0.00 0.00 47.33 48.17 1x53 h GLY 130 CO -0.28 -0.03 0.61 -2.22 0.00 0.00 0.00 176.54 174.61 1x53 h ILE 131 N -0.37 0.57 -0.19 2.60 2.04 -0.86 0.73 117.51 122.03 1x53 h ILE 131 Ca -0.01 -0.20 0.06 0.00 1.00 0.00 0.00 64.86 65.71 1x53 h ILE 131 Cb 0.07 -0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.07 1x53 h ILE 131 CO 0.02 0.11 0.17 0.11 0.00 0.00 0.00 178.15 178.55 1x53 h LYS 132 N 0.58 0.00 0.00 2.37 1.57 -0.72 -0.13 116.57 120.25 1x53 h LYS 132 Ca 0.62 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 59.33 1x53 h LYS 132 Cb 1.21 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 1x53 h LYS 132 CO -0.43 0.00 -1.20 1.04 -0.57 0.00 0.00 179.45 178.29 1x53 n GLN 133 N -4.13 0.53 0.09 3.15 1.13 0.21 -1.76 117.38 116.61 1x53 n GLN 133 Ca 0.02 0.25 -0.16 0.00 -1.94 0.00 0.00 57.00 55.17 1x53 n GLN 133 Cb 0.30 -1.47 -0.10 0.00 0.11 0.00 0.00 30.24 29.08 1x53 n GLN 133 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 1x53 h THR 134 N -1.00 0.00 0.00 5.09 2.02 -0.34 -2.63 112.91 116.05 1x53 h THR 134 Ca -0.12 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 66.97 1x53 h THR 134 Cb 1.06 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 1x53 h THR 134 CO -0.07 0.00 -0.61 -0.26 0.37 0.00 0.00 175.52 174.95 1x53 h PHE 135 N -0.71 0.00 -1.63 3.16 -1.00 -1.26 -3.48 116.94 112.02 1x53 h PHE 135 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1x53 h PHE 135 Cb 0.73 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.29 1x53 h PHE 135 CO -0.47 0.42 0.00 0.41 -1.61 0.00 0.00 178.31 177.05 1x53 n GLY 136 N 1.23 0.57 1.34 -1.45 0.00 -0.57 -4.98 105.19 101.32 1x53 n GLY 136 Ca 0.00 -0.49 0.03 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 -1.24 1.49 -4.04 1.61 4.01 -0.72 -4.83 117.16 113.44 1x53 n TYR 137 Ca 0.00 -1.03 -0.22 0.00 -0.16 0.00 0.00 57.90 56.49 1x53 n TYR 137 Cb 0.46 -0.46 -0.05 0.00 -0.31 0.00 0.00 39.34 38.98 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 -1.64 1.80 -0.12 2.72 0.00 -1.01 -0.13 107.32 108.94 1x53 s GLY 138 Ca 0.48 -1.71 -0.01 0.00 0.00 0.00 0.00 44.72 43.48 1x53 s GLY 138 CO 0.10 -1.67 -0.12 0.00 0.00 0.00 0.00 173.10 171.41 1x53 n ALA 139 N -1.19 1.84 -3.34 3.20 0.00 -1.26 -4.77 120.51 114.99 1x53 n ALA 139 Ca -0.04 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.88 1x53 n ALA 139 Cb 0.60 0.24 -0.03 0.00 0.00 0.00 0.00 19.45 20.26 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 -5.42 -1.05 0.14 0.00 0.15 -1.26 -5.17 113.70 101.09 1x53 s SER 140 Ca -0.17 0.99 0.01 0.00 0.70 0.00 0.00 55.95 57.48 1x53 s SER 140 Cb 0.05 2.02 -0.00 0.00 -1.71 0.00 0.00 66.02 66.37 1x53 s SER 140 CO 0.27 -0.25 0.03 0.61 1.20 0.00 0.00 173.24 175.10 1x53 n GLY 141 N 5.42 3.88 0.23 9.45 0.00 -1.26 -5.17 105.19 117.75 1x53 n GLY 141 Ca -0.05 -2.06 -0.02 0.00 0.00 0.00 0.00 46.02 43.90 1x53 n GLY 141 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x53 n PRO 142 N -0.32 -0.31 -3.98 1.61 -0.04 -1.26 -5.11 135.00 125.59 1x53 n PRO 142 Ca -0.03 -0.12 -0.09 0.00 -0.04 0.00 0.00 63.50 63.22 1x53 n PRO 142 Cb 0.19 -0.09 -0.10 0.00 -0.04 0.00 0.00 33.50 33.47 1x53 n PRO 142 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x53 s SER 143 N -1.38 0.27 0.45 3.54 0.15 -1.26 -5.15 113.70 110.32 1x53 s SER 143 Ca 0.04 -0.63 -0.21 0.00 0.70 0.00 0.00 55.95 55.86 1x53 s SER 143 Cb -0.00 0.18 -0.10 0.00 -1.71 0.00 0.00 66.02 64.39 1x53 s SER 143 CO 0.03 -0.46 0.98 -0.44 1.20 0.00 0.00 173.24 174.55 1x53 s SER 144 N -2.09 6.76 0.00 5.45 0.01 -1.26 -5.36 113.70 117.22 1x53 s SER 144 Ca -0.06 1.77 0.22 0.00 1.31 0.00 0.00 55.95 59.19 1x53 s SER 144 Cb -0.02 -2.55 0.17 0.00 0.21 0.00 0.00 66.02 63.84 1x53 s SER 144 CO -0.05 -0.48 1.20 0.61 0.41 0.00 0.00 173.24 174.93