#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x53 s SER 2 N 0.00 4.56 0.21 1.61 1.04 -1.26 -5.00 113.70 114.87 1x53 s SER 2 Ca 0.00 -2.05 -0.07 0.00 0.48 0.00 0.00 55.95 54.30 1x53 s SER 2 Cb 0.00 -1.43 0.34 0.00 0.10 0.00 0.00 66.02 65.03 1x53 s SER 2 CO 0.00 -0.38 1.22 -0.24 0.98 0.00 0.00 173.24 174.82 1x53 n SER 3 N 4.37 -0.31 0.00 7.02 2.88 -1.26 -4.79 113.62 121.53 1x53 n SER 3 Ca 0.03 1.35 0.00 0.00 -1.33 0.00 0.00 58.87 58.91 1x53 n SER 3 Cb 0.42 -0.39 0.00 0.00 -0.75 0.00 0.00 64.21 63.48 1x53 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x53 n GLY 4 N -1.48 3.62 3.30 0.46 0.00 -1.26 -5.18 105.19 104.66 1x53 n GLY 4 Ca 0.12 -0.50 -0.17 0.00 0.00 0.00 0.00 46.02 45.48 1x53 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x53 s SER 5 N 0.00 2.21 -0.23 1.61 0.15 -1.26 -5.08 113.70 111.09 1x53 s SER 5 Ca 0.00 -1.01 -0.16 0.00 0.70 0.00 0.00 55.95 55.49 1x53 s SER 5 Cb 0.00 -0.08 -0.10 0.00 -1.71 0.00 0.00 66.02 64.13 1x53 s SER 5 CO 0.00 -0.24 -0.31 -0.24 1.20 0.00 0.00 173.24 173.65 1x53 n SER 6 N -0.26 1.94 -4.65 5.45 2.88 -1.26 -5.03 113.62 112.69 1x53 n SER 6 Ca -0.09 0.36 -0.18 0.00 -1.33 0.00 0.00 58.87 57.62 1x53 n SER 6 Cb 0.60 -0.80 0.07 0.00 -0.75 0.00 0.00 64.21 63.33 1x53 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x53 n GLY 7 N 1.35 1.82 3.71 0.46 0.00 -1.26 -5.11 105.19 106.16 1x53 n GLY 7 Ca -0.37 -2.20 -0.35 0.00 0.00 0.00 0.00 46.02 43.10 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 -2.34 4.76 0.38 -0.61 1.01 -1.26 -5.10 121.20 118.04 1x53 s ILE 8 Ca 0.56 -0.06 -0.23 0.00 0.00 0.00 0.00 60.65 60.91 1x53 s ILE 8 Cb -0.04 -3.07 -0.10 0.00 0.01 0.00 0.00 42.46 39.25 1x53 s ILE 8 CO 0.36 0.56 0.95 -2.16 0.00 0.00 0.00 174.94 174.65 1x53 s PRO 9 N -0.49 4.39 0.26 2.79 0.04 -1.26 -4.98 135.00 135.75 1x53 s PRO 9 Ca 0.10 1.22 0.02 0.00 0.04 0.00 0.00 61.00 62.38 1x53 s PRO 9 Cb -0.12 -2.46 -0.04 0.00 0.04 0.00 0.00 34.50 31.92 1x53 s PRO 9 CO 0.02 0.11 0.17 0.95 0.04 0.00 0.00 177.00 178.28 1x53 s THR 10 N -1.92 0.13 0.25 1.26 -4.23 -1.26 -0.10 115.64 109.76 1x53 s THR 10 Ca 0.57 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 59.00 1x53 s THR 10 Cb -0.13 -2.51 -0.02 0.00 1.34 0.00 0.00 72.50 71.18 1x53 s THR 10 CO 0.18 0.00 0.36 0.00 -0.54 0.00 0.00 174.62 174.62 1x53 s LYS 12 N -3.93 4.03 -0.74 0.00 2.20 -1.26 -2.40 119.74 117.63 1x53 s LYS 12 Ca 0.29 -0.01 -0.00 0.00 -0.36 0.00 0.00 55.97 55.89 1x53 s LYS 12 Cb 0.02 -3.35 0.18 0.00 -1.51 0.00 0.00 37.83 33.17 1x53 s LYS 12 CO 0.12 0.42 0.58 0.42 -0.36 0.00 0.00 175.35 176.52 1x53 s ILE 13 N -0.05 3.72 -0.42 5.43 -1.09 0.17 -4.92 121.20 124.05 1x53 s ILE 13 Ca 0.14 -3.64 -0.17 0.00 -2.23 0.00 0.00 60.65 54.76 1x53 s ILE 13 Cb -0.13 -3.38 0.02 0.00 -1.58 0.00 0.00 42.46 37.39 1x53 s ILE 13 CO 0.03 -0.98 0.40 -0.89 -1.23 0.00 0.00 174.94 172.26 1x53 s THR 14 N -0.90 5.14 -0.15 2.92 2.01 -1.26 -0.83 115.64 122.57 1x53 s THR 14 Ca 0.23 -0.45 0.02 0.00 0.31 0.00 0.00 61.69 61.80 1x53 s THR 14 Cb -0.12 -4.01 0.01 0.00 0.01 0.00 0.00 72.50 68.39 1x53 s THR 14 CO -0.09 -0.39 -0.21 -0.76 -0.69 0.00 0.00 174.62 172.47 1x53 s LEU 15 N 2.00 2.13 -0.35 4.42 1.43 0.51 -4.97 118.68 123.85 1x53 s LEU 15 Ca 0.10 -0.61 -0.01 0.00 -1.03 0.00 0.00 54.13 52.58 1x53 s LEU 15 Cb -0.18 -1.46 0.09 0.00 0.03 0.00 0.00 46.19 44.67 1x53 s LEU 15 CO 0.12 0.06 0.09 -0.54 0.23 0.00 0.00 176.35 176.32 1x53 s LYS 16 N 0.95 2.03 0.02 1.70 3.01 -1.26 0.56 119.74 126.74 1x53 s LYS 16 Ca -0.04 -1.64 0.09 0.00 -1.01 0.00 0.00 55.97 53.37 1x53 s LYS 16 Cb -0.15 -3.34 -0.02 0.00 -1.01 0.00 0.00 37.83 33.30 1x53 s LYS 16 CO -0.05 -0.88 -0.26 -2.00 0.51 0.00 0.00 175.35 172.67 1x53 s GLU 17 N 1.12 1.89 0.09 1.68 2.56 -0.94 -4.97 118.70 120.13 1x53 s GLU 17 Ca 0.04 -1.02 -0.09 0.00 0.00 0.00 0.00 54.97 53.90 1x53 s GLU 17 Cb -0.21 -1.97 -0.06 0.00 2.00 0.00 0.00 34.13 33.90 1x53 s GLU 17 CO -0.04 0.52 0.39 0.99 -0.56 0.00 0.00 175.26 176.56 1x53 s THR 18 N -0.72 5.12 0.00 -1.70 2.01 -1.26 -0.72 115.64 118.38 1x53 s THR 18 Ca 0.11 0.35 0.08 0.00 0.31 0.00 0.00 61.69 62.54 1x53 s THR 18 Cb -0.10 -3.63 -0.02 0.00 0.01 0.00 0.00 72.50 68.76 1x53 s THR 18 CO 0.01 0.24 -0.25 -0.36 -0.69 0.00 0.00 174.62 173.57 1x53 s PHE 19 N -1.45 2.20 -0.04 4.92 0.40 0.17 -4.84 117.98 119.34 1x53 s PHE 19 Ca 0.34 -0.41 -0.00 0.00 -0.60 0.00 0.00 56.93 56.26 1x53 s PHE 19 Cb -0.13 -1.38 0.03 0.00 0.51 0.00 0.00 43.02 42.05 1x53 s PHE 19 CO 0.19 0.02 1.86 1.28 0.70 0.00 0.00 175.22 179.27 1x53 n LEU 20 N 2.23 5.16 -4.01 -0.37 7.99 0.56 -0.00 117.00 128.57 1x53 n LEU 20 Ca -0.16 -2.40 -0.10 0.00 -0.01 0.00 0.00 56.01 53.35 1x53 n LEU 20 Cb 0.52 -1.03 -0.08 0.00 -0.11 0.00 0.00 43.42 42.72 1x53 n LEU 20 CO 0.23 0.96 -0.09 0.28 -1.51 0.00 0.00 177.39 177.27 1x53 s THR 21 N -0.30 0.07 0.53 -5.08 -1.32 -1.23 -4.84 115.64 103.48 1x53 s THR 21 Ca 0.04 -1.51 -0.17 0.00 -1.21 0.00 0.00 61.69 58.84 1x53 s THR 21 Cb 0.03 -1.89 -0.07 0.00 -1.51 0.00 0.00 72.50 69.07 1x53 s THR 21 CO 0.00 -0.34 1.01 -0.44 -2.21 0.00 0.00 174.62 172.64 1x53 s SER 22 N -2.99 6.36 0.14 8.08 0.01 -1.26 -1.68 113.70 122.36 1x53 s SER 22 Ca 0.19 1.69 -0.30 0.00 1.31 0.00 0.00 55.95 58.83 1x53 s SER 22 Cb 0.04 -2.52 -0.06 0.00 0.21 0.00 0.00 66.02 63.69 1x53 s SER 22 CO 0.00 -0.77 1.57 -0.65 0.41 0.00 0.00 173.24 173.80 1x53 h PRO 23 N 0.89 -0.43 -1.05 12.44 0.11 -1.86 -0.28 132.00 141.82 1x53 h PRO 23 Ca -0.47 0.03 0.33 0.00 0.11 0.00 0.00 66.00 66.00 1x53 h PRO 23 Cb 1.20 0.10 -0.14 0.00 0.11 0.00 0.00 31.00 32.27 1x53 h PRO 23 CO 0.60 -0.29 0.62 1.05 -0.21 0.00 0.00 178.00 179.77 1x53 h GLU 24 N -0.45 0.30 0.00 1.05 4.11 -1.94 0.59 114.58 118.25 1x53 h GLU 24 Ca 0.09 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.50 1x53 h GLU 24 Cb 0.62 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1x53 h GLU 24 CO -0.50 0.20 0.00 -1.91 0.07 0.00 0.00 179.01 176.87 1x53 n GLU 25 N -4.95 0.00 0.27 1.06 4.07 -0.15 -2.84 120.64 118.11 1x53 n GLU 25 Ca 0.32 0.47 0.18 0.00 -0.06 0.00 0.00 57.16 58.07 1x53 n GLU 25 Cb 1.02 -1.43 0.93 0.00 -0.06 0.00 0.00 31.44 31.90 1x53 n GLU 25 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 1x53 h LEU 26 N 0.00 0.00 -1.31 4.31 5.85 -1.08 0.66 115.31 123.74 1x53 h LEU 26 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1x53 h LEU 26 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1x53 h LEU 26 CO 0.00 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.10 1x53 n TYR 27 N -3.37 0.77 -0.13 1.25 9.36 0.20 -2.69 117.16 122.55 1x53 n TYR 27 Ca -0.00 0.38 -0.28 0.00 3.32 0.00 0.00 57.90 61.31 1x53 n TYR 27 Cb 0.28 -1.11 -0.10 0.00 -0.63 0.00 0.00 39.34 37.78 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 -2.27 0.58 0.26 2.98 1.74 0.22 -3.40 116.66 116.78 1x53 n ARG 28 Ca -0.01 0.32 0.12 0.00 -0.77 0.00 0.00 57.85 57.51 1x53 n ARG 28 Cb 0.08 -1.54 0.49 0.00 -1.02 0.00 0.00 32.46 30.46 1x53 n ARG 28 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1x53 h VAL 29 N -1.00 0.04 0.00 1.55 2.07 -1.53 1.62 116.25 119.00 1x53 h VAL 29 Ca -0.63 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 66.86 1x53 h VAL 29 Cb 1.55 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.68 1x53 h VAL 29 CO -0.38 0.00 -1.86 0.49 0.02 0.00 0.00 177.57 175.83 1x53 n PHE 30 N -2.87 0.00 -1.30 1.57 3.01 -1.14 -4.08 117.46 112.66 1x53 n PHE 30 Ca 0.02 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.54 1x53 n PHE 30 Cb 0.73 -0.45 0.19 0.00 -0.01 0.00 0.00 39.48 39.93 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 -2.18 2.16 -3.57 4.37 -2.24 0.42 -4.92 114.28 108.31 1x53 n THR 31 Ca -0.05 -2.62 -0.27 0.00 -2.27 0.00 0.00 64.05 58.84 1x53 n THR 31 Cb 0.53 -0.26 -0.16 0.00 -2.10 0.00 0.00 70.33 68.34 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 -3.05 -0.09 0.09 4.28 2.01 0.45 -4.39 115.64 114.94 1x53 s THR 32 Ca 0.37 -0.44 -0.19 0.00 0.31 0.00 0.00 61.69 61.75 1x53 s THR 32 Cb 0.34 -0.77 -0.05 0.00 0.01 0.00 0.00 72.50 72.03 1x53 s THR 32 CO -0.00 -0.49 1.32 -0.61 -0.69 0.00 0.00 174.62 174.15 1x53 h GLN 33 N 8.41 -0.09 -0.96 4.92 4.15 -1.86 -0.45 115.11 129.23 1x53 h GLN 33 Ca -0.17 0.01 0.09 0.00 0.77 0.00 0.00 58.65 59.34 1x53 h GLN 33 Cb 1.08 0.02 -0.12 0.00 0.21 0.00 0.00 27.48 28.68 1x53 h GLN 33 CO 0.36 -0.06 -0.56 -1.91 -1.93 0.00 0.00 178.83 174.73 1x53 n GLU 34 N -4.31 -0.42 -0.24 1.69 2.13 -1.26 0.15 120.64 118.38 1x53 n GLU 34 Ca -0.00 1.46 0.18 0.00 0.66 0.00 0.00 57.16 59.46 1x53 n GLU 34 Cb 0.17 -2.14 0.50 0.00 0.27 0.00 0.00 31.44 30.24 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 -0.24 4.31 3.38 -1.59 -0.54 115.31 121.06 1x53 h LEU 35 Ca 0.16 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.13 1x53 h LEU 35 Cb 0.40 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1x53 h LEU 35 CO -0.91 0.18 -0.02 0.58 0.09 0.00 0.00 178.44 178.36 1x53 h VAL 36 N 0.43 1.27 0.00 1.22 2.07 0.29 -2.38 116.25 119.16 1x53 h VAL 36 Ca 0.47 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1x53 h VAL 36 Cb 1.12 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 1x53 h VAL 36 CO -0.18 0.30 0.00 0.00 0.02 0.00 0.00 177.57 177.71 1x53 n GLN 37 N -4.61 0.26 0.01 1.57 6.02 -0.06 -0.91 117.38 119.64 1x53 n GLN 37 Ca -0.04 0.12 -0.22 0.00 -0.01 0.00 0.00 57.00 56.85 1x53 n GLN 37 Cb 0.26 -1.50 -0.14 0.00 1.02 0.00 0.00 30.24 29.88 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 2.68 0.27 -0.00 -1.58 0.00 -0.88 -2.69 119.26 117.06 1x53 h ALA 38 Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 54.91 53.69 1x53 h ALA 38 Cb 0.09 0.58 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1x53 h ALA 38 CO 0.00 1.02 -0.68 1.97 0.00 0.00 0.00 179.25 181.56 1x53 n PHE 39 N -3.76 0.00 0.26 0.00 1.16 -1.04 -4.08 117.46 110.01 1x53 n PHE 39 Ca -0.28 0.00 0.08 0.00 -1.87 0.00 0.00 57.45 55.38 1x53 n PHE 39 Cb 0.97 -0.09 -0.11 0.00 -1.61 0.00 0.00 39.48 38.63 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 -1.18 0.00 -4.35 1.97 -2.24 -0.09 -4.65 114.28 103.73 1x53 n THR 40 Ca 0.06 -0.28 -0.39 0.00 -2.27 0.00 0.00 64.05 61.17 1x53 n THR 40 Cb 0.35 0.45 -0.08 0.00 -2.10 0.00 0.00 70.33 68.96 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 -1.80 -1.11 -3.65 4.78 8.25 -1.01 -4.78 115.22 115.90 1x53 n HIS 41 Ca -0.01 0.64 -0.14 0.00 -0.26 0.00 0.00 57.72 57.95 1x53 n HIS 41 Cb 0.35 -1.88 -0.07 0.00 1.12 0.00 0.00 29.99 29.52 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 -3.28 -1.13 -0.89 -1.41 0.00 -1.26 -4.97 121.76 108.81 1x53 s ALA 42 Ca 0.68 0.53 -0.18 0.00 0.00 0.00 0.00 51.96 52.99 1x53 s ALA 42 Cb -0.40 0.23 -0.24 0.00 0.00 0.00 0.00 23.12 22.71 1x53 s ALA 42 CO 0.97 -0.40 2.32 -2.30 0.00 0.00 0.00 175.76 176.34 1x53 n PRO 43 N 0.75 0.26 -4.97 0.00 -0.02 -1.26 -4.51 135.00 125.25 1x53 n PRO 43 Ca -0.19 -0.28 -0.32 0.00 -2.02 0.00 0.00 63.50 60.68 1x53 n PRO 43 Cb 0.58 -2.12 -0.14 0.00 -0.02 0.00 0.00 33.50 31.81 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 6.75 2.54 -0.32 3.55 0.00 -1.26 -3.18 121.76 129.84 1x53 s ALA 44 Ca 1.17 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 52.16 1x53 s ALA 44 Cb -0.61 -0.91 0.10 0.00 0.00 0.00 0.00 23.12 21.69 1x53 s ALA 44 CO 0.38 0.50 0.06 0.99 0.00 0.00 0.00 175.76 177.69 1x53 s THR 45 N -0.52 1.60 -0.07 0.00 2.01 0.22 -4.81 115.64 114.07 1x53 s THR 45 Ca 0.07 -1.85 -0.01 0.00 0.31 0.00 0.00 61.69 60.21 1x53 s THR 45 Cb -0.12 -2.17 -0.03 0.00 0.01 0.00 0.00 72.50 70.19 1x53 s THR 45 CO 0.01 -0.60 0.01 -0.22 -0.69 0.00 0.00 174.62 173.13 1x53 s LEU 46 N 1.26 3.60 -0.35 4.42 0.20 -1.26 -0.08 118.68 126.46 1x53 s LEU 46 Ca 0.09 0.13 0.00 0.00 0.69 0.00 0.00 54.13 55.05 1x53 s LEU 46 Cb -0.18 -1.86 0.11 0.00 -0.43 0.00 0.00 46.19 43.83 1x53 s LEU 46 CO -0.16 0.36 0.14 -1.61 -0.29 0.00 0.00 176.35 174.80 1x53 s GLU 47 N -0.99 0.88 -0.65 1.98 0.41 -1.07 -4.17 118.70 115.08 1x53 s GLU 47 Ca 0.14 -1.37 -0.26 0.00 -0.41 0.00 0.00 54.97 53.08 1x53 s GLU 47 Cb -0.11 -2.07 -0.08 0.00 -1.78 0.00 0.00 34.13 30.08 1x53 s GLU 47 CO 0.04 -1.05 2.29 0.00 -0.49 0.00 0.00 175.26 176.05 1x53 s ALA 48 N 1.22 1.37 -0.26 5.21 0.00 -1.26 -4.30 121.76 123.74 1x53 s ALA 48 Ca 0.12 -0.51 -0.28 0.00 0.00 0.00 0.00 51.96 51.29 1x53 s ALA 48 Cb -0.20 -4.45 0.16 0.00 0.00 0.00 0.00 23.12 18.64 1x53 s ALA 48 CO -0.16 -4.95 1.24 -0.51 0.00 0.00 0.00 175.76 171.38 1x53 s ASP 49 N 10.79 -0.19 -0.54 0.00 1.01 -1.26 -5.01 116.67 121.47 1x53 s ASP 49 Ca 0.89 0.27 -0.26 0.00 0.71 0.00 0.00 52.55 54.16 1x53 s ASP 49 Cb -0.14 0.25 -0.08 0.00 1.01 0.00 0.00 42.92 43.96 1x53 s ASP 49 CO 0.16 -0.13 2.42 0.54 0.21 0.00 0.00 175.17 178.38 1x53 n ARG 50 N 1.10 0.96 0.00 8.23 1.74 -1.26 -0.16 116.66 127.27 1x53 n ARG 50 Ca -0.07 -0.11 0.00 0.00 -0.77 0.00 0.00 57.85 56.90 1x53 n ARG 50 Cb 0.58 -3.46 0.00 0.00 -1.02 0.00 0.00 32.46 28.56 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 6.11 0.69 3.25 -0.13 0.00 0.59 -4.97 105.19 110.74 1x53 n GLY 51 Ca 0.39 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.10 1x53 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x53 n GLY 52 N -1.13 -3.68 3.20 -0.02 0.00 0.77 -4.39 105.19 99.95 1x53 n GLY 52 Ca 0.00 -1.64 -0.30 0.00 0.00 0.00 0.00 46.02 44.08 1x53 n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x53 s LYS 53 N -4.97 2.59 -0.20 1.61 3.01 -1.26 -1.79 119.74 118.73 1x53 s LYS 53 Ca 0.68 -0.80 0.01 0.00 -1.01 0.00 0.00 55.97 54.85 1x53 s LYS 53 Cb -0.14 -2.07 0.03 0.00 -1.01 0.00 0.00 37.83 34.64 1x53 s LYS 53 CO 0.58 0.24 -0.17 -0.59 0.51 0.00 0.00 175.35 175.92 1x53 s PHE 54 N 0.18 2.83 -0.05 3.18 -0.12 -1.22 -2.61 117.98 120.17 1x53 s PHE 54 Ca -0.12 -1.78 0.06 0.00 -0.05 0.00 0.00 56.93 55.04 1x53 s PHE 54 Cb -0.16 -1.89 -0.02 0.00 -0.63 0.00 0.00 43.02 40.33 1x53 s PHE 54 CO 0.06 -0.81 -0.22 -1.58 -0.05 0.00 0.00 175.22 172.62 1x53 s HIS 55 N 1.26 2.50 0.32 3.49 2.46 0.89 -2.41 115.29 123.81 1x53 s HIS 55 Ca 0.01 -0.49 -0.02 0.00 0.47 0.00 0.00 55.06 55.03 1x53 s HIS 55 Cb -0.15 -1.60 -0.01 0.00 -0.13 0.00 0.00 32.58 30.70 1x53 s HIS 55 CO -0.11 -0.06 0.42 0.00 -2.47 0.00 0.00 174.74 172.52 1x53 s MET 56 N -0.40 1.81 -1.13 2.88 0.23 0.63 0.71 119.30 124.03 1x53 s MET 56 Ca 0.04 -1.74 -0.02 0.00 -1.03 0.00 0.00 55.69 52.93 1x53 s MET 56 Cb -0.12 0.42 0.00 0.00 -1.53 0.00 0.00 34.83 33.60 1x53 s MET 56 CO 0.02 -0.73 0.95 0.28 -2.03 0.00 0.00 175.02 173.51 1x53 n VAL 57 N -0.53 -4.72 -1.97 5.16 0.31 -1.26 -1.15 118.33 114.15 1x53 n VAL 57 Ca 0.02 -0.33 -0.19 0.00 -0.01 0.00 0.00 64.34 63.82 1x53 n VAL 57 Cb 0.62 -4.50 -0.04 0.00 -0.91 0.00 0.00 33.84 29.00 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 -2.85 -5.40 0.00 4.52 -0.08 -1.25 -1.68 116.55 109.82 1x53 n ASP 58 Ca -0.19 0.22 0.00 0.00 -1.51 0.00 0.00 54.79 53.31 1x53 n ASP 58 Cb 0.63 -4.51 0.00 0.00 2.34 0.00 0.00 41.12 39.58 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 -0.83 0.73 0.04 0.27 0.00 -0.82 -4.86 105.19 99.73 1x53 n GLY 59 Ca -0.21 -0.69 0.11 0.00 0.00 0.00 0.00 46.02 45.23 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 1.42 0.33 -3.89 1.61 3.02 -0.30 -4.74 115.26 112.71 1x53 n ASN 60 Ca 0.00 0.04 -0.28 0.00 -0.03 0.00 0.00 54.58 54.31 1x53 n ASN 60 Cb 0.22 1.42 -0.17 0.00 -0.61 0.00 0.00 39.78 40.65 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 -3.43 1.07 0.48 2.41 1.01 -0.49 0.12 120.40 121.57 1x53 s VAL 61 Ca -0.04 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.39 1x53 s VAL 61 Cb 0.13 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 35.26 1x53 s VAL 61 CO 0.87 0.16 0.04 -0.94 0.00 0.00 0.00 175.10 175.23 1x53 s SER 62 N 1.65 3.73 0.00 3.32 1.04 -1.18 -0.27 113.70 122.00 1x53 s SER 62 Ca 0.01 -1.66 0.00 0.00 0.48 0.00 0.00 55.95 54.78 1x53 s SER 62 Cb -0.15 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1x53 s SER 62 CO -0.08 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 173.87 1x53 n GLY 63 N -1.16 -0.79 3.37 7.32 0.00 -1.01 -3.05 105.19 109.86 1x53 n GLY 63 Ca -0.15 -0.72 -0.13 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.24 0.53 -0.14 1.61 -1.05 -1.24 -3.42 118.70 114.75 1x53 s GLU 64 Ca 0.00 0.70 -0.29 0.00 -0.15 0.00 0.00 54.97 55.22 1x53 s GLU 64 Cb 0.00 0.22 -0.01 0.00 -0.44 0.00 0.00 34.13 33.91 1x53 s GLU 64 CO 0.00 -0.08 1.05 -0.06 0.95 0.00 0.00 175.26 177.12 1x53 s PHE 65 N 0.46 3.39 -0.21 4.83 0.40 -0.74 -1.25 117.98 124.86 1x53 s PHE 65 Ca -0.02 1.48 0.03 0.00 -0.60 0.00 0.00 56.93 57.83 1x53 s PHE 65 Cb -0.04 -3.26 -0.15 0.00 0.51 0.00 0.00 43.02 40.08 1x53 s PHE 65 CO -0.02 -0.50 -0.16 0.25 0.70 0.00 0.00 175.22 175.48 1x53 n THR 66 N 4.83 1.23 -3.91 0.64 -2.24 0.11 0.22 114.28 115.16 1x53 n THR 66 Ca 0.10 -0.50 -0.11 0.00 -2.27 0.00 0.00 64.05 61.27 1x53 n THR 66 Cb 0.47 -1.19 -0.13 0.00 -2.10 0.00 0.00 70.33 67.39 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 -5.98 0.08 -0.18 3.42 2.15 -0.72 -4.76 116.67 110.68 1x53 s ASP 67 Ca -0.27 -0.18 -0.04 0.00 0.43 0.00 0.00 52.55 52.49 1x53 s ASP 67 Cb 0.07 0.07 0.08 0.00 -0.30 0.00 0.00 42.92 42.84 1x53 s ASP 67 CO 0.52 -0.14 0.19 -0.76 -0.17 0.00 0.00 175.17 174.81 1x53 s LEU 68 N -0.62 -0.01 -0.06 -1.34 1.43 -1.26 -1.77 118.68 115.05 1x53 s LEU 68 Ca -0.07 -0.23 0.02 0.00 -1.03 0.00 0.00 54.13 52.83 1x53 s LEU 68 Cb -0.04 0.24 -0.03 0.00 0.03 0.00 0.00 46.19 46.39 1x53 s LEU 68 CO -0.00 -0.32 -0.12 -0.69 0.23 0.00 0.00 176.35 175.45 1x53 s VAL 69 N 2.28 3.25 -0.37 -1.59 1.01 -0.77 -5.03 120.40 119.18 1x53 s VAL 69 Ca 0.05 -0.64 -0.38 0.00 0.00 0.00 0.00 61.98 61.01 1x53 s VAL 69 Cb -0.15 -2.30 -0.14 0.00 0.00 0.00 0.00 36.38 33.79 1x53 s VAL 69 CO -0.11 0.58 2.11 -2.65 0.00 0.00 0.00 175.10 175.04 1x53 n PRO 70 N 2.44 0.85 -3.40 2.72 -0.02 -1.26 -2.13 135.00 134.19 1x53 n PRO 70 Ca -0.17 0.25 -0.18 0.00 -2.02 0.00 0.00 63.50 61.37 1x53 n PRO 70 Cb 0.52 -2.19 -0.05 0.00 -0.02 0.00 0.00 33.50 31.77 1x53 n PRO 70 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1x53 n GLU 71 N 7.59 -0.94 0.07 -0.52 1.02 -1.26 -4.67 120.64 121.93 1x53 n GLU 71 Ca 0.42 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.61 1x53 n GLU 71 Cb 0.15 -2.09 0.00 0.00 -0.02 0.00 0.00 31.44 29.48 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 -2.81 0.00 -3.57 3.49 5.02 -0.91 -4.82 118.16 114.56 1x53 n LYS 72 Ca -0.12 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.10 1x53 n LYS 72 Cb 0.34 -0.36 -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 -0.31 -0.05 2.13 -3.43 -1.24 -2.27 115.29 108.12 1x53 s HIS 73 Ca 0.00 0.11 -0.02 0.00 -0.80 0.00 0.00 55.06 54.35 1x53 s HIS 73 Cb 0.00 0.57 0.04 0.00 -1.43 0.00 0.00 32.58 31.76 1x53 s HIS 73 CO 0.00 -0.67 0.10 0.42 -2.00 0.00 0.00 174.74 172.59 1x53 s ILE 74 N -3.25 -0.05 -0.16 -5.38 1.01 -0.49 -1.86 121.20 111.02 1x53 s ILE 74 Ca 0.07 0.20 0.02 0.00 0.00 0.00 0.00 60.65 60.93 1x53 s ILE 74 Cb -0.01 -0.17 0.01 0.00 0.01 0.00 0.00 42.46 42.30 1x53 s ILE 74 CO -0.06 0.08 -0.20 -0.69 0.00 0.00 0.00 174.94 174.07 1x53 s VAL 75 N 1.13 2.16 0.25 2.92 1.01 -0.73 0.08 120.40 127.22 1x53 s VAL 75 Ca -0.09 -0.93 -0.12 0.00 0.00 0.00 0.00 61.98 60.84 1x53 s VAL 75 Cb -0.12 -1.88 -0.01 0.00 0.00 0.00 0.00 36.38 34.37 1x53 s VAL 75 CO -0.05 0.54 0.46 0.00 0.00 0.00 0.00 175.10 176.05 1x53 s MET 76 N 1.01 1.53 0.30 2.72 0.23 -0.17 0.09 119.30 125.01 1x53 s MET 76 Ca -0.02 -1.28 -0.07 0.00 -1.03 0.00 0.00 55.69 53.29 1x53 s MET 76 Cb -0.15 0.46 -0.06 0.00 -1.53 0.00 0.00 34.83 33.55 1x53 s MET 76 CO -0.06 -0.63 0.60 0.15 -2.03 0.00 0.00 175.02 173.04 1x53 s LYS 77 N -4.01 3.69 -0.00 3.16 1.02 -0.38 -0.11 119.74 123.11 1x53 s LYS 77 Ca 0.24 0.15 -0.00 0.00 0.02 0.00 0.00 55.97 56.37 1x53 s LYS 77 Cb -0.00 -2.60 -0.00 0.00 -0.52 0.00 0.00 37.83 34.71 1x53 s LYS 77 CO 0.09 0.18 0.01 -0.46 -0.92 0.00 0.00 175.35 174.25 1x53 s TRP 78 N -2.09 0.03 0.05 3.18 -0.00 0.11 -3.68 118.94 116.55 1x53 s TRP 78 Ca 0.46 -0.06 -0.28 0.00 -0.00 0.00 0.00 56.10 56.22 1x53 s TRP 78 Cb -0.11 -0.03 0.09 0.00 -0.00 0.00 0.00 33.47 33.43 1x53 s TRP 78 CO 0.28 -0.04 1.08 -0.98 -0.00 0.00 0.00 176.95 177.30 1x53 s ARG 79 N -0.23 0.82 0.29 5.86 1.70 -1.17 0.00 118.95 126.23 1x53 s ARG 79 Ca -0.03 -0.43 0.06 0.00 -0.47 0.00 0.00 55.73 54.86 1x53 s ARG 79 Cb -0.02 0.30 -0.02 0.00 -0.57 0.00 0.00 34.95 34.64 1x53 s ARG 79 CO -0.00 -0.37 0.42 -0.06 -1.08 0.00 0.00 175.30 174.20 1x53 s PHE 80 N -2.92 3.26 -1.84 5.89 0.08 -1.26 -3.08 117.98 118.11 1x53 s PHE 80 Ca 0.12 -0.13 0.25 0.00 0.12 0.00 0.00 56.93 57.29 1x53 s PHE 80 Cb 0.01 -1.80 1.43 0.00 -0.57 0.00 0.00 43.02 42.09 1x53 s PHE 80 CO -0.02 0.19 1.85 1.17 -0.10 0.00 0.00 175.22 178.32 1x53 n LYS 81 N -1.53 0.67 -0.00 0.44 0.00 0.32 -2.68 118.16 115.37 1x53 n LYS 81 Ca -0.04 0.02 0.03 0.00 0.00 0.00 0.00 58.31 58.31 1x53 n LYS 81 Cb 0.58 -1.50 -0.04 0.00 0.00 0.00 0.00 35.03 34.07 1x53 n LYS 81 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1x53 n SER 82 N -1.08 2.16 -4.45 3.14 3.41 -1.26 -5.05 113.62 110.49 1x53 n SER 82 Ca 0.17 -0.28 -0.32 0.00 -0.26 0.00 0.00 58.87 58.18 1x53 n SER 82 Cb 0.12 1.15 0.14 0.00 -0.26 0.00 0.00 64.21 65.36 1x53 n SER 82 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1x53 n TRP 83 N -1.46 -1.02 -0.77 7.33 7.02 -1.09 -4.92 117.44 122.52 1x53 n TRP 83 Ca -0.00 0.23 -0.33 0.00 -1.02 0.00 0.00 57.50 56.39 1x53 n TRP 83 Cb 0.13 -1.79 0.13 0.00 -2.42 0.00 0.00 31.31 27.36 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 -2.38 -0.34 -2.24 -0.99 -0.02 -1.26 -4.88 135.00 122.89 1x53 n PRO 84 Ca 0.07 -0.05 -0.42 0.00 -2.02 0.00 0.00 63.50 61.07 1x53 n PRO 84 Cb 0.54 -1.94 -0.03 0.00 -0.02 0.00 0.00 33.50 32.06 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 -3.80 4.24 -0.53 -0.52 -6.30 -1.26 -3.32 118.70 107.22 1x53 s GLU 85 Ca 0.58 1.91 -0.00 0.00 -2.50 0.00 0.00 54.97 54.96 1x53 s GLU 85 Cb -0.21 -3.75 0.00 0.00 0.00 0.00 0.00 34.13 30.17 1x53 s GLU 85 CO 0.66 -0.69 0.45 0.41 0.02 0.00 0.00 175.26 176.11 1x53 n GLY 86 N 3.75 0.11 2.58 -1.50 0.00 -1.26 -5.04 105.19 103.82 1x53 n GLY 86 Ca 0.14 -0.23 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.16 0.26 0.38 1.61 2.46 -1.21 -5.14 115.29 110.49 1x53 s HIS 87 Ca 0.02 -0.58 0.05 0.00 0.47 0.00 0.00 55.06 55.03 1x53 s HIS 87 Cb -0.01 -0.79 -0.07 0.00 -0.13 0.00 0.00 32.58 31.58 1x53 s HIS 87 CO 0.32 -0.66 0.03 -0.06 -2.47 0.00 0.00 174.74 171.90 1x53 s PHE 88 N 2.12 2.26 -0.07 3.88 0.40 -1.26 -4.77 117.98 120.53 1x53 s PHE 88 Ca 0.05 -0.81 0.04 0.00 -0.60 0.00 0.00 56.93 55.62 1x53 s PHE 88 Cb -0.16 -1.56 -0.00 0.00 0.51 0.00 0.00 43.02 41.81 1x53 s PHE 88 CO -0.22 0.25 -0.21 0.00 0.70 0.00 0.00 175.22 175.74 1x53 s ALA 89 N -2.96 1.88 -0.35 5.36 0.00 0.10 -4.78 121.76 121.01 1x53 s ALA 89 Ca 0.35 -0.84 -0.29 0.00 0.00 0.00 0.00 51.96 51.17 1x53 s ALA 89 Cb 0.09 -0.67 0.02 0.00 0.00 0.00 0.00 23.12 22.56 1x53 s ALA 89 CO 0.16 0.29 1.14 0.99 0.00 0.00 0.00 175.76 178.35 1x53 s THR 90 N 0.19 4.36 -0.05 0.00 2.01 -1.14 0.07 115.64 121.09 1x53 s THR 90 Ca -0.11 1.53 0.03 0.00 0.31 0.00 0.00 61.69 63.45 1x53 s THR 90 Cb -0.15 -4.40 -0.03 0.00 0.01 0.00 0.00 72.50 67.93 1x53 s THR 90 CO 0.05 -0.59 -0.11 -0.63 -0.69 0.00 0.00 174.62 172.65 1x53 s ILE 91 N 3.99 3.33 -0.26 1.82 1.09 0.84 -1.02 121.20 130.99 1x53 s ILE 91 Ca 0.48 -0.66 -0.02 0.00 -1.10 0.00 0.00 60.65 59.35 1x53 s ILE 91 Cb -0.12 -2.34 0.08 0.00 -1.06 0.00 0.00 42.46 39.02 1x53 s ILE 91 CO 0.21 0.56 0.07 -0.89 -0.10 0.00 0.00 174.94 174.79 1x53 s THR 92 N -0.79 0.69 0.40 2.92 2.01 0.11 -1.00 115.64 119.97 1x53 s THR 92 Ca 0.12 -1.04 -0.04 0.00 0.31 0.00 0.00 61.69 61.05 1x53 s THR 92 Cb -0.11 -1.38 -0.04 0.00 0.01 0.00 0.00 72.50 70.98 1x53 s THR 92 CO 0.02 -0.50 0.67 -0.76 -0.69 0.00 0.00 174.62 173.36 1x53 s LEU 93 N 1.74 3.83 -0.11 4.42 1.43 0.11 -2.18 118.68 127.93 1x53 s LEU 93 Ca 0.05 0.75 -0.05 0.00 -1.03 0.00 0.00 54.13 53.85 1x53 s LEU 93 Cb -0.17 -3.65 0.05 0.00 0.03 0.00 0.00 46.19 42.44 1x53 s LEU 93 CO -0.20 -0.42 0.25 -0.89 0.23 0.00 0.00 176.35 175.32 1x53 s THR 94 N -2.48 -0.04 -0.28 5.49 2.01 -1.10 -1.40 115.64 117.84 1x53 s THR 94 Ca 0.45 0.14 -0.09 0.00 0.31 0.00 0.00 61.69 62.49 1x53 s THR 94 Cb -0.10 -0.38 -0.03 0.00 0.01 0.00 0.00 72.50 72.00 1x53 s THR 94 CO 0.39 0.06 0.14 -0.36 -0.69 0.00 0.00 174.62 174.16 1x53 s PHE 95 N 1.23 3.16 0.20 4.92 0.40 -0.96 -1.59 117.98 125.34 1x53 s PHE 95 Ca -0.09 -0.26 0.07 0.00 -0.60 0.00 0.00 56.93 56.05 1x53 s PHE 95 Cb -0.10 -2.33 -0.04 0.00 0.51 0.00 0.00 43.02 41.06 1x53 s PHE 95 CO -0.08 -0.32 0.05 0.42 0.70 0.00 0.00 175.22 175.99 1x53 s ILE 96 N 1.67 3.93 -0.17 0.64 1.01 -1.13 -4.71 121.20 122.44 1x53 s ILE 96 Ca 0.06 -1.43 -0.07 0.00 0.00 0.00 0.00 60.65 59.22 1x53 s ILE 96 Cb -0.16 -3.03 -0.04 0.00 0.01 0.00 0.00 42.46 39.25 1x53 s ILE 96 CO 0.07 -0.18 0.05 -0.62 0.00 0.00 0.00 174.94 174.26 1x53 s ASP 97 N -3.22 5.54 -0.06 3.58 2.15 -1.26 -2.98 116.67 120.42 1x53 s ASP 97 Ca 0.30 0.08 0.09 0.00 0.43 0.00 0.00 52.55 53.44 1x53 s ASP 97 Cb -0.09 -1.91 0.13 0.00 -0.30 0.00 0.00 42.92 40.76 1x53 s ASP 97 CO 0.21 0.20 1.02 0.29 -0.17 0.00 0.00 175.17 176.71 1x53 n LYS 98 N 3.34 1.22 -2.73 4.34 4.76 -0.80 -4.98 118.16 123.30 1x53 n LYS 98 Ca -0.17 -1.77 -0.09 0.00 -2.87 0.00 0.00 58.31 53.41 1x53 n LYS 98 Cb 0.52 -1.06 0.05 0.00 -1.84 0.00 0.00 35.03 32.70 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 -0.76 -2.12 0.00 4.39 5.15 -1.26 -4.38 115.26 116.27 1x53 n ASN 99 Ca 0.07 -0.32 0.00 0.00 -0.60 0.00 0.00 54.58 53.73 1x53 n ASN 99 Cb 0.56 -2.91 0.00 0.00 -0.53 0.00 0.00 39.78 36.89 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 -1.08 2.47 3.53 8.20 0.00 -1.26 -5.12 105.19 111.93 1x53 n GLY 100 Ca -0.15 -0.24 -0.25 0.00 0.00 0.00 0.00 46.02 45.38 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 1.79 -0.08 1.61 2.02 -1.26 -3.50 118.70 119.28 1x53 s GLU 101 Ca 0.00 -1.98 0.00 0.00 0.02 0.00 0.00 54.97 53.01 1x53 s GLU 101 Cb 0.00 -1.36 0.02 0.00 0.10 0.00 0.00 34.13 32.89 1x53 s GLU 101 CO 0.00 -0.05 -0.06 0.99 0.02 0.00 0.00 175.26 176.16 1x53 s THR 102 N -2.90 0.83 -0.56 3.63 2.01 1.00 -1.91 115.64 117.73 1x53 s THR 102 Ca 0.34 -0.22 -0.21 0.00 0.31 0.00 0.00 61.69 61.92 1x53 s THR 102 Cb 0.08 -0.85 0.06 0.00 0.01 0.00 0.00 72.50 71.80 1x53 s THR 102 CO 0.16 0.32 0.77 -0.70 -0.69 0.00 0.00 174.62 174.48 1x53 s GLU 103 N 1.39 3.16 -0.63 4.92 2.12 -1.16 0.46 118.70 128.97 1x53 s GLU 103 Ca -0.02 -0.79 -0.25 0.00 0.36 0.00 0.00 54.97 54.27 1x53 s GLU 103 Cb -0.13 -4.13 0.04 0.00 0.26 0.00 0.00 34.13 30.17 1x53 s GLU 103 CO -0.04 -1.44 1.06 -1.17 -0.54 0.00 0.00 175.26 173.14 1x53 s LEU 104 N 3.20 3.87 -0.83 2.70 2.96 0.10 -2.85 118.68 127.84 1x53 s LEU 104 Ca 0.19 -0.48 -0.20 0.00 -0.22 0.00 0.00 54.13 53.43 1x53 s LEU 104 Cb -0.18 -2.71 0.11 0.00 0.50 0.00 0.00 46.19 43.92 1x53 s LEU 104 CO 0.13 -1.46 1.04 0.00 -1.32 0.00 0.00 176.35 174.74 1x53 s MET 106 N 3.01 4.52 -0.11 0.00 1.75 0.19 -2.70 119.30 125.96 1x53 s MET 106 Ca 0.28 1.11 -0.03 0.00 -1.25 0.00 0.00 55.69 55.80 1x53 s MET 106 Cb -0.10 -3.36 0.04 0.00 2.84 0.00 0.00 34.83 34.25 1x53 s MET 106 CO -0.03 0.28 0.05 -1.21 -0.65 0.00 0.00 175.02 173.46 1x53 s GLU 107 N -0.07 0.28 -0.03 4.11 2.02 -0.93 -0.36 118.70 123.72 1x53 s GLU 107 Ca 0.39 0.03 0.07 0.00 0.02 0.00 0.00 54.97 55.48 1x53 s GLU 107 Cb -0.21 -1.30 -0.02 0.00 0.10 0.00 0.00 34.13 32.70 1x53 s GLU 107 CO 0.24 -0.48 -0.22 0.20 0.02 0.00 0.00 175.26 175.02 1x53 s GLY 108 N 2.05 1.36 -0.23 -1.39 0.00 -0.01 0.08 107.32 109.18 1x53 s GLY 108 Ca 0.03 -1.08 -0.04 0.00 0.00 0.00 0.00 44.72 43.63 1x53 s GLY 108 CO -0.06 -0.88 0.12 1.09 0.00 0.00 0.00 173.10 173.37 1x53 s ARG 109 N -0.67 0.13 0.00 2.90 1.70 -0.19 0.46 118.95 123.29 1x53 s ARG 109 Ca 0.11 -0.26 0.00 0.00 -0.47 0.00 0.00 55.73 55.10 1x53 s ARG 109 Cb -0.10 -1.48 0.00 0.00 -0.57 0.00 0.00 34.95 32.80 1x53 s ARG 109 CO -0.00 -0.83 0.00 0.41 -1.08 0.00 0.00 175.30 173.80 1x53 n GLY 110 N 5.27 -0.74 3.65 3.88 0.00 -1.09 -2.87 105.19 113.29 1x53 n GLY 110 Ca -0.06 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 -0.26 3.51 -0.22 -0.61 1.09 -1.01 -4.63 121.20 119.08 1x53 s ILE 111 Ca 0.00 0.61 -0.40 0.00 -1.10 0.00 0.00 60.65 59.77 1x53 s ILE 111 Cb 0.00 -3.42 -0.16 0.00 -1.06 0.00 0.00 42.46 37.82 1x53 s ILE 111 CO 0.00 -0.08 1.67 -2.65 -0.10 0.00 0.00 174.94 173.78 1x53 n PRO 112 N 7.29 1.14 -0.27 2.79 -0.02 -1.26 0.41 135.00 145.09 1x53 n PRO 112 Ca 0.18 0.42 0.08 0.00 -2.02 0.00 0.00 63.50 62.15 1x53 n PRO 112 Cb 0.43 -2.09 0.21 0.00 -0.02 0.00 0.00 33.50 32.02 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 6.74 0.99 -0.66 3.55 0.00 -0.76 0.62 119.26 129.74 1x53 h ALA 113 Ca -0.47 0.21 0.13 0.00 0.00 0.00 0.00 54.91 54.78 1x53 h ALA 113 Cb 1.32 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 19.38 1x53 h ALA 113 CO 0.93 -0.40 0.45 -1.35 0.00 0.00 0.00 179.25 178.88 1x53 h PRO 114 N 0.20 0.36 -0.30 0.00 0.11 -1.88 -0.62 132.00 129.87 1x53 h PRO 114 Ca 0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.54 1x53 h PRO 114 Cb 0.83 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.86 1x53 h PRO 114 CO -0.60 0.24 0.00 0.39 -0.21 0.00 0.00 178.00 177.82 1x53 n GLU 115 N -4.46 2.90 -0.13 1.05 -0.58 0.80 -4.66 120.64 115.55 1x53 n GLU 115 Ca 0.12 -2.41 -0.04 0.00 -0.42 0.00 0.00 57.16 54.41 1x53 n GLU 115 Cb 0.47 -1.53 0.04 0.00 -0.57 0.00 0.00 31.44 29.85 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 1.88 0.22 0.25 3.49 4.81 0.17 -0.32 114.58 125.08 1x53 h GLU 116 Ca 0.00 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1x53 h GLU 116 Cb 1.05 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.39 1x53 h GLU 116 CO 0.10 0.15 -0.12 1.49 -0.73 0.00 0.00 179.01 179.90 1x53 h GLU 117 N 0.23 -0.32 -0.99 1.92 4.57 -1.83 -2.96 114.58 115.20 1x53 h GLU 117 Ca 0.21 0.02 0.35 0.00 -1.18 0.00 0.00 59.36 58.76 1x53 h GLU 117 Cb 0.25 0.07 -0.18 0.00 -0.16 0.00 0.00 28.75 28.73 1x53 h GLU 117 CO -0.26 -0.22 0.30 -2.13 -1.18 0.00 0.00 179.01 175.52 1x53 n ARG 118 N -3.44 -0.07 0.12 1.92 0.63 -1.21 -0.66 116.66 113.96 1x53 n ARG 118 Ca -0.04 1.41 -0.06 0.00 -0.92 0.00 0.00 57.85 58.24 1x53 n ARG 118 Cb 0.13 -2.40 -0.03 0.00 0.45 0.00 0.00 32.46 30.61 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 0.00 5.15 2.02 -1.08 0.23 112.91 119.23 1x53 h THR 119 Ca 0.73 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.91 1x53 h THR 119 Cb 1.78 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 1x53 h THR 119 CO -0.84 0.00 0.12 -0.09 0.37 0.00 0.00 175.52 175.08 1x53 h ARG 120 N -0.36 0.00 0.00 6.66 2.43 -0.96 0.35 114.38 122.51 1x53 h ARG 120 Ca -0.03 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 58.89 1x53 h ARG 120 Cb 0.30 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.81 1x53 h ARG 120 CO 0.02 0.00 -1.32 1.96 -1.51 0.00 0.00 179.97 179.11 1x53 h GLN 121 N 0.00 0.00 -0.04 0.20 4.20 -0.04 -3.36 115.11 116.07 1x53 h GLN 121 Ca 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1x53 h GLN 121 Cb 0.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.01 1x53 h GLN 121 CO 0.00 0.78 0.00 0.41 -0.67 0.00 0.00 178.83 179.35 1x53 n GLY 122 N 1.45 4.61 0.02 3.46 0.00 0.65 -4.50 105.19 110.88 1x53 n GLY 122 Ca -0.08 -1.04 -0.01 0.00 0.00 0.00 0.00 46.02 44.89 1x53 n GLY 122 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1x53 n TRP 123 N -1.21 0.17 -0.04 1.61 -0.00 0.91 -4.44 117.44 114.44 1x53 n TRP 123 Ca 0.16 0.08 -0.06 0.00 -0.00 0.00 0.00 57.50 57.68 1x53 n TRP 123 Cb 0.65 -0.31 0.14 0.00 -0.00 0.00 0.00 31.31 31.79 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 -0.25 0.63 -0.77 5.87 4.20 -1.83 0.14 115.11 123.10 1x53 h GLN 124 Ca 0.00 -0.25 0.22 0.00 0.06 0.00 0.00 58.65 58.68 1x53 h GLN 124 Cb 0.15 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.87 1x53 h GLN 124 CO 0.00 0.82 0.88 0.00 -0.67 0.00 0.00 178.83 179.85 1x53 h ARG 125 N 0.55 0.00 0.00 1.46 3.08 -1.81 0.18 114.38 117.84 1x53 h ARG 125 Ca 0.08 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.07 1x53 h ARG 125 Cb 0.72 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 1x53 h ARG 125 CO 0.06 0.00 -1.22 0.66 -1.07 0.00 0.00 179.97 178.40 1x53 n TYR 126 N -3.45 0.00 0.16 3.04 4.01 -1.07 -3.34 117.16 116.51 1x53 n TYR 126 Ca 0.16 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.84 1x53 n TYR 126 Cb 1.13 -0.15 -0.03 0.00 -0.31 0.00 0.00 39.34 39.98 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 -0.38 0.00 -0.72 -1.99 0.12 -3.25 116.97 110.75 1x53 h TYR 127 Ca -0.09 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.64 1x53 h TYR 127 Cb 1.15 0.13 0.00 0.00 2.00 0.00 0.00 36.73 40.01 1x53 h TYR 127 CO 0.00 -0.24 -0.33 1.19 -0.00 0.00 0.00 178.16 178.78 1x53 n PHE 128 N -3.25 0.30 -0.57 4.88 3.72 -0.33 -3.67 117.46 118.54 1x53 n PHE 128 Ca -0.05 0.13 0.44 0.00 -0.05 0.00 0.00 57.45 57.92 1x53 n PHE 128 Cb 0.16 -0.42 0.69 0.00 -0.94 0.00 0.00 39.48 38.97 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 -3.43 -0.01 -0.05 -1.08 -0.58 0.49 0.99 120.64 116.98 1x53 n GLU 129 Ca -0.05 0.97 -0.14 0.00 -0.42 0.00 0.00 57.16 57.52 1x53 n GLU 129 Cb 0.17 -2.16 -0.12 0.00 -0.57 0.00 0.00 31.44 28.76 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 0.01 0.48 0.62 0.00 -1.58 -3.31 103.07 99.29 1x53 h GLY 130 Ca 0.80 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 48.10 1x53 h GLY 130 CO -0.09 0.02 -0.12 -2.22 0.00 0.00 0.00 176.54 174.13 1x53 h ILE 131 N -0.85 0.67 -0.97 2.60 2.04 0.56 0.38 117.51 121.95 1x53 h ILE 131 Ca -0.00 -0.87 0.37 0.00 1.00 0.00 0.00 64.86 65.36 1x53 h ILE 131 Cb 0.88 1.08 -0.13 0.00 -0.74 0.00 0.00 36.82 37.91 1x53 h ILE 131 CO 0.00 0.15 0.57 0.29 0.00 0.00 0.00 178.15 179.17 1x53 n LYS 132 N -5.03 -0.04 -0.12 2.37 5.02 0.87 0.75 118.16 121.98 1x53 n LYS 132 Ca -0.08 1.09 -0.24 0.00 -2.02 0.00 0.00 58.31 57.06 1x53 n LYS 132 Cb 0.26 -2.04 -0.10 0.00 -0.02 0.00 0.00 35.03 33.13 1x53 n LYS 132 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1x53 n GLN 133 N -4.63 0.57 0.13 1.97 6.02 -1.21 -0.07 117.38 120.16 1x53 n GLN 133 Ca 0.32 0.42 -0.15 0.00 -0.01 0.00 0.00 57.00 57.59 1x53 n GLN 133 Cb 1.17 -1.62 -0.07 0.00 1.02 0.00 0.00 30.24 30.73 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 0.16 0.00 5.09 2.02 0.17 -2.80 112.91 116.55 1x53 h THR 134 Ca -0.47 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 66.66 1x53 h THR 134 Cb 1.38 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 1x53 h THR 134 CO -0.28 0.00 -0.77 -0.26 0.37 0.00 0.00 175.52 174.58 1x53 h PHE 135 N -0.67 0.00 -1.12 3.16 -1.00 0.13 -3.49 116.94 113.95 1x53 h PHE 135 Ca 0.02 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.80 1x53 h PHE 135 Cb 0.69 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.25 1x53 h PHE 135 CO -0.35 0.21 0.00 0.41 -1.61 0.00 0.00 178.31 176.97 1x53 n GLY 136 N 1.22 0.72 1.33 -1.45 0.00 -0.79 -4.99 105.19 101.23 1x53 n GLY 136 Ca -0.01 -0.44 -0.02 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.36 1.49 -3.80 1.61 4.01 0.90 -4.81 117.16 115.20 1x53 n TYR 137 Ca 0.00 -1.32 -0.21 0.00 -0.16 0.00 0.00 57.90 56.21 1x53 n TYR 137 Cb 0.38 -0.52 -0.04 0.00 -0.31 0.00 0.00 39.34 38.86 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 -1.95 1.86 -0.58 2.72 0.00 -0.75 -0.32 107.32 108.29 1x53 s GLY 138 Ca 0.47 -1.71 0.04 0.00 0.00 0.00 0.00 44.72 43.52 1x53 s GLY 138 CO 0.06 -1.62 0.41 0.00 0.00 0.00 0.00 173.10 171.96 1x53 s ALA 139 N -2.35 2.93 0.25 3.20 0.00 -1.26 -4.74 121.76 119.79 1x53 s ALA 139 Ca 0.42 -3.29 0.00 0.00 0.00 0.00 0.00 51.96 49.09 1x53 s ALA 139 Cb -0.05 -1.97 0.58 0.00 0.00 0.00 0.00 23.12 21.68 1x53 s ALA 139 CO 0.26 -2.06 1.29 0.45 0.00 0.00 0.00 175.76 175.71 1x53 n SER 140 N 2.44 -0.13 0.00 0.00 2.88 -1.26 -4.90 113.62 112.65 1x53 n SER 140 Ca 0.21 1.41 0.00 0.00 -1.33 0.00 0.00 58.87 59.15 1x53 n SER 140 Cb 0.38 -0.50 0.00 0.00 -0.75 0.00 0.00 64.21 63.35 1x53 n SER 140 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x53 n GLY 141 N -1.44 1.81 0.27 0.46 0.00 -1.26 -4.77 105.19 100.26 1x53 n GLY 141 Ca 0.18 -1.76 0.03 0.00 0.00 0.00 0.00 46.02 44.48 1x53 n GLY 141 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1x53 h PRO 142 N 0.00 0.08 -1.81 1.61 0.11 -2.06 -3.44 132.00 126.48 1x53 h PRO 142 Ca 0.00 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.12 1x53 h PRO 142 Cb 0.00 -0.02 -0.21 0.00 0.11 0.00 0.00 31.00 30.89 1x53 h PRO 142 CO 0.00 0.05 0.38 0.45 -0.21 0.00 0.00 178.00 178.67 1x53 s SER 143 N -5.21 -0.50 0.13 -2.05 0.15 -1.26 -5.18 113.70 99.79 1x53 s SER 143 Ca -0.14 0.52 0.06 0.00 0.70 0.00 0.00 55.95 57.09 1x53 s SER 143 Cb 0.21 0.42 -0.04 0.00 -1.71 0.00 0.00 66.02 64.90 1x53 s SER 143 CO 0.75 -0.48 0.03 -0.55 1.20 0.00 0.00 173.24 174.18 1x53 s SER 144 N -1.23 5.04 0.00 5.45 0.15 -1.26 -5.20 113.70 116.65 1x53 s SER 144 Ca -0.05 -0.23 0.30 0.00 0.70 0.00 0.00 55.95 56.66 1x53 s SER 144 Cb -0.00 -1.19 1.48 0.00 -1.71 0.00 0.00 66.02 64.60 1x53 s SER 144 CO 0.05 0.13 1.99 0.61 1.20 0.00 0.00 173.24 177.21