#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 1.04 0.61 1.61 1.04 -1.26 -5.15 113.70 111.59 1x53 s SER 2 Ca 0.00 -1.56 -0.18 0.00 0.48 0.00 0.00 55.95 54.69 1x53 s SER 2 Cb 0.00 0.55 -0.03 0.00 0.10 0.00 0.00 66.02 66.64 1x53 s SER 2 CO 0.00 -1.08 1.20 -0.55 0.98 0.00 0.00 173.24 173.79 1x53 s SER 3 N -3.27 5.14 0.00 7.02 0.15 -1.26 -4.80 113.70 116.68 1x53 s SER 3 Ca 0.37 2.35 0.00 0.00 0.70 0.00 0.00 55.95 59.36 1x53 s SER 3 Cb 0.03 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 1x53 s SER 3 CO 0.21 -1.63 0.00 0.61 1.20 0.00 0.00 173.24 173.64 1x53 n GLY 4 N 0.41 0.06 3.26 9.45 0.00 -1.26 -5.16 105.19 111.94 1x53 n GLY 4 Ca 0.13 -0.45 -0.28 0.00 0.00 0.00 0.00 46.02 45.42 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 2.66 -0.29 1.61 0.15 -1.26 -5.11 113.70 111.46 1x53 s SER 5 Ca 0.00 -0.42 -0.01 0.00 0.70 0.00 0.00 55.95 56.22 1x53 s SER 5 Cb 0.00 -0.29 0.09 0.00 -1.71 0.00 0.00 66.02 64.11 1x53 s SER 5 CO 0.00 0.27 0.09 -0.55 1.20 0.00 0.00 173.24 174.25 1x53 s SER 6 N -0.58 3.83 0.00 5.45 0.15 -1.26 -5.09 113.70 116.21 1x53 s SER 6 Ca 0.09 -1.48 0.00 0.00 0.70 0.00 0.00 55.95 55.25 1x53 s SER 6 Cb -0.09 -0.78 0.00 0.00 -1.71 0.00 0.00 66.02 63.44 1x53 s SER 6 CO -0.01 -0.40 0.00 0.61 1.20 0.00 0.00 173.24 174.64 1x53 n GLY 7 N 4.91 -3.08 3.84 9.45 0.00 -1.26 -4.94 105.19 114.11 1x53 n GLY 7 Ca -0.04 -1.82 -0.37 0.00 0.00 0.00 0.00 46.02 43.80 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 -0.80 5.48 0.43 -0.61 1.01 -1.26 -5.09 121.20 120.36 1x53 s ILE 8 Ca 0.00 0.21 -0.22 0.00 0.00 0.00 0.00 60.65 60.64 1x53 s ILE 8 Cb 0.00 -3.42 -0.10 0.00 0.01 0.00 0.00 42.46 38.95 1x53 s ILE 8 CO 0.00 0.58 0.98 -2.16 0.00 0.00 0.00 174.94 174.34 1x53 s PRO 9 N -0.70 4.13 0.32 2.79 0.04 -1.26 -4.97 135.00 135.35 1x53 s PRO 9 Ca 0.13 1.24 0.04 0.00 0.04 0.00 0.00 61.00 62.46 1x53 s PRO 9 Cb -0.12 -2.25 -0.02 0.00 0.04 0.00 0.00 34.50 32.15 1x53 s PRO 9 CO 0.03 -0.13 0.31 0.95 0.04 0.00 0.00 177.00 178.20 1x53 s THR 10 N -2.02 0.00 0.30 1.26 -4.23 -1.26 -0.18 115.64 109.51 1x53 s THR 10 Ca 0.62 -1.90 -0.07 0.00 -1.18 0.00 0.00 61.69 59.16 1x53 s THR 10 Cb -0.13 -2.53 0.03 0.00 1.34 0.00 0.00 72.50 71.20 1x53 s THR 10 CO 0.17 0.00 0.51 0.00 -0.54 0.00 0.00 174.62 174.77 1x53 s LYS 12 N -2.37 2.96 -0.55 0.00 2.20 -1.26 -2.06 119.74 118.67 1x53 s LYS 12 Ca 0.18 -0.48 0.04 0.00 -0.36 0.00 0.00 55.97 55.36 1x53 s LYS 12 Cb -0.02 -2.79 0.14 0.00 -1.51 0.00 0.00 37.83 33.65 1x53 s LYS 12 CO 0.13 0.67 0.32 0.42 -0.36 0.00 0.00 175.35 176.53 1x53 s ILE 13 N -1.03 2.33 -0.36 5.43 -1.09 0.65 -4.99 121.20 122.14 1x53 s ILE 13 Ca 0.18 -3.38 -0.17 0.00 -2.23 0.00 0.00 60.65 55.05 1x53 s ILE 13 Cb -0.12 -2.59 -0.00 0.00 -1.58 0.00 0.00 42.46 38.17 1x53 s ILE 13 CO 0.08 -0.89 0.43 -0.89 -1.23 0.00 0.00 174.94 172.44 1x53 s THR 14 N -0.44 5.10 -0.13 2.92 2.01 -1.26 -2.34 115.64 121.50 1x53 s THR 14 Ca 0.20 0.09 0.01 0.00 0.31 0.00 0.00 61.69 62.29 1x53 s THR 14 Cb -0.19 -3.91 0.02 0.00 0.01 0.00 0.00 72.50 68.43 1x53 s THR 14 CO -0.05 -0.19 -0.14 -0.76 -0.69 0.00 0.00 174.62 172.79 1x53 s LEU 15 N 2.18 1.66 -0.29 4.42 1.43 -0.54 -4.98 118.68 122.56 1x53 s LEU 15 Ca 0.14 -0.45 0.02 0.00 -1.03 0.00 0.00 54.13 52.81 1x53 s LEU 15 Cb -0.16 -1.12 0.07 0.00 0.03 0.00 0.00 46.19 45.00 1x53 s LEU 15 CO 0.13 -0.03 -0.03 -0.54 0.23 0.00 0.00 176.35 176.10 1x53 s LYS 16 N 1.32 2.12 0.00 1.70 1.02 -1.26 0.36 119.74 125.00 1x53 s LYS 16 Ca 0.01 -1.46 0.04 0.00 0.02 0.00 0.00 55.97 54.58 1x53 s LYS 16 Cb -0.14 -3.07 -0.01 0.00 -0.52 0.00 0.00 37.83 34.10 1x53 s LYS 16 CO -0.07 -0.69 -0.14 -2.00 -0.92 0.00 0.00 175.35 171.53 1x53 s GLU 17 N 1.10 1.06 0.20 1.68 2.12 -1.11 -4.98 118.70 118.76 1x53 s GLU 17 Ca -0.03 -0.56 -0.10 0.00 0.36 0.00 0.00 54.97 54.64 1x53 s GLU 17 Cb -0.20 -1.03 -0.07 0.00 0.26 0.00 0.00 34.13 33.09 1x53 s GLU 17 CO -0.05 0.28 0.52 0.99 -0.54 0.00 0.00 175.26 176.46 1x53 s THR 18 N -0.47 4.96 0.02 -1.70 2.01 -1.26 -0.90 115.64 118.30 1x53 s THR 18 Ca 0.04 0.45 0.08 0.00 0.31 0.00 0.00 61.69 62.58 1x53 s THR 18 Cb -0.06 -3.63 -0.02 0.00 0.01 0.00 0.00 72.50 68.79 1x53 s THR 18 CO -0.00 0.00 -0.25 -0.36 -0.69 0.00 0.00 174.62 173.33 1x53 s PHE 19 N -1.73 2.18 -0.02 4.92 0.40 0.27 -4.81 117.98 119.18 1x53 s PHE 19 Ca 0.45 -0.41 -0.00 0.00 -0.60 0.00 0.00 56.93 56.37 1x53 s PHE 19 Cb -0.12 -1.35 0.01 0.00 0.51 0.00 0.00 43.02 42.07 1x53 s PHE 19 CO 0.21 0.05 2.02 1.28 0.70 0.00 0.00 175.22 179.48 1x53 n LEU 20 N 2.10 5.41 -4.01 -0.37 7.99 -0.15 0.14 117.00 128.12 1x53 n LEU 20 Ca -0.16 -2.47 -0.10 0.00 -0.01 0.00 0.00 56.01 53.27 1x53 n LEU 20 Cb 0.52 -1.13 -0.07 0.00 -0.11 0.00 0.00 43.42 42.63 1x53 n LEU 20 CO 0.23 1.03 -0.00 0.28 -1.51 0.00 0.00 177.39 177.42 1x53 s THR 21 N -0.12 0.04 0.50 -5.08 -1.32 -1.21 -4.81 115.64 103.63 1x53 s THR 21 Ca 0.02 -1.49 -0.18 0.00 -1.21 0.00 0.00 61.69 58.84 1x53 s THR 21 Cb 0.02 -2.04 -0.08 0.00 -1.51 0.00 0.00 72.50 68.88 1x53 s THR 21 CO -0.00 -0.17 0.98 -0.44 -2.21 0.00 0.00 174.62 172.78 1x53 s SER 22 N -3.01 6.63 0.11 8.08 0.01 -1.26 -2.04 113.70 122.22 1x53 s SER 22 Ca 0.22 1.64 -0.32 0.00 1.31 0.00 0.00 55.95 58.80 1x53 s SER 22 Cb 0.03 -2.52 -0.12 0.00 0.21 0.00 0.00 66.02 63.62 1x53 s SER 22 CO 0.04 -0.58 1.52 -0.65 0.41 0.00 0.00 173.24 173.99 1x53 h PRO 23 N 1.18 -0.50 -0.82 12.44 0.11 -1.85 -2.11 132.00 140.45 1x53 h PRO 23 Ca -0.48 0.03 0.13 0.00 0.11 0.00 0.00 66.00 65.80 1x53 h PRO 23 Cb 1.19 0.11 -0.14 0.00 0.11 0.00 0.00 31.00 32.27 1x53 h PRO 23 CO 0.61 -0.33 -0.39 1.05 -0.21 0.00 0.00 178.00 178.73 1x53 h GLU 24 N -0.51 -0.08 -0.63 1.05 4.11 -1.94 0.58 114.58 117.16 1x53 h GLU 24 Ca 0.04 0.01 0.12 0.00 0.07 0.00 0.00 59.36 59.60 1x53 h GLU 24 Cb 0.63 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.80 1x53 h GLU 24 CO -0.45 -0.05 0.12 1.49 0.07 0.00 0.00 179.01 180.19 1x53 h GLU 25 N -0.08 0.24 0.00 1.06 4.57 -1.80 0.50 114.58 119.07 1x53 h GLU 25 Ca 0.28 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.45 1x53 h GLU 25 Cb 0.57 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.11 1x53 h GLU 25 CO -0.85 0.16 0.00 -0.11 -1.18 0.00 0.00 179.01 177.03 1x53 n LEU 26 N -5.15 0.00 0.02 1.64 7.94 0.90 -3.14 117.00 119.21 1x53 n LEU 26 Ca 0.10 0.49 -0.06 0.00 -1.11 0.00 0.00 56.01 55.43 1x53 n LEU 26 Cb 0.35 -0.49 0.12 0.00 0.53 0.00 0.00 43.42 43.93 1x53 n LEU 26 CO 0.16 -0.09 0.58 0.22 -1.11 0.00 0.00 177.39 177.15 1x53 h TYR 27 N 0.00 0.58 0.03 1.96 3.20 0.50 -3.24 116.97 120.00 1x53 h TYR 27 Ca 0.00 -0.17 -0.11 0.00 3.14 0.00 0.00 58.73 61.59 1x53 h TYR 27 Cb 0.40 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 1x53 h TYR 27 CO 0.00 0.84 -0.55 0.00 -1.64 0.00 0.00 178.16 176.81 1x53 h ARG 28 N 0.39 0.06 -1.42 1.82 -0.00 -1.48 -2.65 114.38 111.11 1x53 h ARG 28 Ca 0.03 -0.10 0.41 0.00 -0.50 0.00 0.00 59.98 59.82 1x53 h ARG 28 Cb 0.93 0.04 -0.06 0.00 0.00 0.00 0.00 29.97 30.88 1x53 h ARG 28 CO 0.08 1.05 1.25 0.28 0.00 0.00 0.00 179.97 182.63 1x53 h VAL 29 N -0.86 0.04 0.00 2.04 2.07 -1.62 1.87 116.25 119.78 1x53 h VAL 29 Ca -0.14 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.23 1x53 h VAL 29 Cb 1.22 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 1x53 h VAL 29 CO -0.03 0.00 -2.05 0.49 0.02 0.00 0.00 177.57 176.00 1x53 n PHE 30 N -3.62 0.00 -1.47 1.57 3.01 -1.22 -4.18 117.46 111.55 1x53 n PHE 30 Ca 0.32 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.69 1x53 n PHE 30 Cb 1.68 -0.65 0.18 0.00 -0.01 0.00 0.00 39.48 40.68 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 -2.41 2.67 -3.56 4.37 -2.24 0.54 -4.91 114.28 108.74 1x53 n THR 31 Ca -0.16 -2.78 -0.20 0.00 -2.27 0.00 0.00 64.05 58.63 1x53 n THR 31 Cb 0.78 -0.42 -0.15 0.00 -2.10 0.00 0.00 70.33 68.45 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 -3.41 -0.24 0.11 4.28 2.01 0.39 -4.43 115.64 114.35 1x53 s THR 32 Ca 0.47 -0.03 -0.31 0.00 0.31 0.00 0.00 61.69 62.13 1x53 s THR 32 Cb 0.42 -0.57 -0.12 0.00 0.01 0.00 0.00 72.50 72.24 1x53 s THR 32 CO 0.01 -0.15 1.50 -0.61 -0.69 0.00 0.00 174.62 174.68 1x53 h GLN 33 N 8.36 -0.53 -0.45 4.92 4.15 -1.86 -0.97 115.11 128.73 1x53 h GLN 33 Ca -0.16 0.04 0.05 0.00 0.77 0.00 0.00 58.65 59.35 1x53 h GLN 33 Cb 1.14 0.12 -0.07 0.00 0.21 0.00 0.00 27.48 28.88 1x53 h GLN 33 CO 0.26 -0.35 -0.42 1.49 -1.93 0.00 0.00 178.83 177.88 1x53 h GLU 34 N -0.54 -0.19 -1.12 1.69 4.57 -1.91 0.50 114.58 117.59 1x53 h GLU 34 Ca 0.03 0.01 0.31 0.00 -1.18 0.00 0.00 59.36 58.53 1x53 h GLU 34 Cb 0.63 0.04 -0.08 0.00 -0.16 0.00 0.00 28.75 29.18 1x53 h GLU 34 CO -0.39 -0.12 0.75 -0.07 -1.18 0.00 0.00 179.01 177.99 1x53 h LEU 35 N -0.19 0.27 -0.04 1.64 3.38 -1.81 0.72 115.31 119.27 1x53 h LEU 35 Ca 0.08 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1x53 h LEU 35 Cb 0.39 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 1x53 h LEU 35 CO -0.53 0.03 -0.05 0.58 0.09 0.00 0.00 178.44 178.57 1x53 h VAL 36 N 0.23 1.38 0.00 1.22 2.07 0.13 -2.81 116.25 118.47 1x53 h VAL 36 Ca 0.60 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1x53 h VAL 36 Cb 1.87 2.10 0.00 0.00 -1.52 0.00 0.00 31.29 33.74 1x53 h VAL 36 CO -0.21 0.33 0.00 0.00 0.02 0.00 0.00 177.57 177.71 1x53 n GLN 37 N -4.76 0.13 -0.10 1.57 6.02 0.19 -1.20 117.38 119.24 1x53 n GLN 37 Ca -0.08 0.14 -0.21 0.00 -0.01 0.00 0.00 57.00 56.84 1x53 n GLN 37 Cb 0.29 -1.50 -0.12 0.00 1.02 0.00 0.00 30.24 29.93 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 2.35 0.24 -0.01 -1.58 0.00 -1.13 -2.62 119.26 116.50 1x53 h ALA 38 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 54.91 53.78 1x53 h ALA 38 Cb 0.04 0.65 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1x53 h ALA 38 CO 0.00 0.63 -0.12 1.97 0.00 0.00 0.00 179.25 181.73 1x53 n PHE 39 N -4.43 0.00 0.18 0.00 1.16 -0.99 -3.65 117.46 109.73 1x53 n PHE 39 Ca -0.29 0.00 0.04 0.00 -1.87 0.00 0.00 57.45 55.33 1x53 n PHE 39 Cb 0.67 -0.10 -0.06 0.00 -1.61 0.00 0.00 39.48 38.37 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 -0.58 0.00 -4.22 1.97 -2.24 -0.34 -4.67 114.28 104.19 1x53 n THR 40 Ca 0.15 -0.24 -0.37 0.00 -2.27 0.00 0.00 64.05 61.32 1x53 n THR 40 Cb 0.31 0.61 -0.07 0.00 -2.10 0.00 0.00 70.33 69.07 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 -1.54 -1.05 -3.72 4.78 8.25 -0.99 -4.80 115.22 116.16 1x53 n HIS 41 Ca -0.00 0.61 -0.14 0.00 -0.26 0.00 0.00 57.72 57.93 1x53 n HIS 41 Cb 0.19 -1.75 -0.08 0.00 1.12 0.00 0.00 29.99 29.47 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 -3.14 -0.93 -0.90 -1.41 0.00 -1.26 -4.97 121.76 109.15 1x53 s ALA 42 Ca 0.68 0.44 -0.17 0.00 0.00 0.00 0.00 51.96 52.90 1x53 s ALA 42 Cb -0.40 0.10 -0.25 0.00 0.00 0.00 0.00 23.12 22.58 1x53 s ALA 42 CO 0.92 -0.30 2.30 -2.30 0.00 0.00 0.00 175.76 176.38 1x53 n PRO 43 N 1.11 0.25 -4.88 0.00 -0.02 -1.26 -4.50 135.00 125.70 1x53 n PRO 43 Ca -0.21 -0.30 -0.33 0.00 -2.02 0.00 0.00 63.50 60.65 1x53 n PRO 43 Cb 0.57 -2.10 -0.13 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 6.51 2.67 -0.33 3.55 0.00 -1.26 -3.20 121.76 129.70 1x53 s ALA 44 Ca 1.17 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 52.17 1x53 s ALA 44 Cb -0.60 -0.97 0.10 0.00 0.00 0.00 0.00 23.12 21.65 1x53 s ALA 44 CO 0.38 0.56 0.08 0.99 0.00 0.00 0.00 175.76 177.77 1x53 s THR 45 N -0.74 1.53 -0.07 0.00 2.01 0.26 -4.81 115.64 113.83 1x53 s THR 45 Ca 0.12 -1.87 -0.01 0.00 0.31 0.00 0.00 61.69 60.23 1x53 s THR 45 Cb -0.11 -2.15 -0.03 0.00 0.01 0.00 0.00 72.50 70.23 1x53 s THR 45 CO 0.01 -0.65 -0.00 -0.22 -0.69 0.00 0.00 174.62 173.06 1x53 s LEU 46 N 1.25 3.54 -0.35 4.42 0.20 -1.26 -0.01 118.68 126.46 1x53 s LEU 46 Ca 0.11 0.11 0.00 0.00 0.69 0.00 0.00 54.13 55.04 1x53 s LEU 46 Cb -0.18 -1.84 0.11 0.00 -0.43 0.00 0.00 46.19 43.85 1x53 s LEU 46 CO -0.17 0.36 0.15 -1.61 -0.29 0.00 0.00 176.35 174.80 1x53 s GLU 47 N -0.99 0.85 -0.63 1.98 0.41 -1.10 -4.12 118.70 115.10 1x53 s GLU 47 Ca 0.14 -1.36 -0.26 0.00 -0.41 0.00 0.00 54.97 53.08 1x53 s GLU 47 Cb -0.11 -2.00 -0.09 0.00 -1.78 0.00 0.00 34.13 30.15 1x53 s GLU 47 CO 0.04 -1.06 2.34 0.00 -0.49 0.00 0.00 175.26 176.09 1x53 s ALA 48 N 1.20 1.32 -0.26 5.21 0.00 -1.26 -4.33 121.76 123.63 1x53 s ALA 48 Ca 0.13 -0.41 -0.27 0.00 0.00 0.00 0.00 51.96 51.41 1x53 s ALA 48 Cb -0.20 -4.44 0.17 0.00 0.00 0.00 0.00 23.12 18.65 1x53 s ALA 48 CO -0.15 -4.98 1.27 -0.51 0.00 0.00 0.00 175.76 171.39 1x53 s ASP 49 N 11.21 -0.17 -0.55 0.00 1.01 -1.26 -5.01 116.67 121.90 1x53 s ASP 49 Ca 0.92 0.26 -0.26 0.00 0.71 0.00 0.00 52.55 54.18 1x53 s ASP 49 Cb -0.15 0.24 -0.09 0.00 1.01 0.00 0.00 42.92 43.94 1x53 s ASP 49 CO 0.18 -0.11 2.43 0.54 0.21 0.00 0.00 175.17 178.42 1x53 n ARG 50 N 1.17 0.94 0.00 8.23 1.74 -1.26 -0.11 116.66 127.37 1x53 n ARG 50 Ca -0.07 -0.13 0.00 0.00 -0.77 0.00 0.00 57.85 56.88 1x53 n ARG 50 Cb 0.58 -3.43 0.00 0.00 -1.02 0.00 0.00 32.46 28.59 1x53 n ARG 50 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1x53 n GLY 51 N 6.14 0.72 3.38 -0.13 0.00 0.44 -4.96 105.19 110.78 1x53 n GLY 51 Ca 0.39 0.00 -0.30 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 -1.00 1.46 -0.09 -0.02 0.00 0.85 -4.43 107.32 104.09 1x53 s GLY 52 Ca 0.00 -0.62 0.04 0.00 0.00 0.00 0.00 44.72 44.14 1x53 s GLY 52 CO 0.00 0.29 -0.23 0.54 0.00 0.00 0.00 173.10 173.71 1x53 s LYS 53 N -4.91 2.93 -0.20 2.90 3.01 -1.26 -1.70 119.74 120.51 1x53 s LYS 53 Ca 0.69 -0.86 0.02 0.00 -1.01 0.00 0.00 55.97 54.81 1x53 s LYS 53 Cb -0.17 -2.31 0.03 0.00 -1.01 0.00 0.00 37.83 34.38 1x53 s LYS 53 CO 0.60 0.26 -0.17 -0.59 0.51 0.00 0.00 175.35 175.95 1x53 s PHE 54 N 0.16 2.90 -0.06 3.18 -0.12 -1.22 -2.72 117.98 120.11 1x53 s PHE 54 Ca -0.12 -1.84 0.05 0.00 -0.05 0.00 0.00 56.93 54.97 1x53 s PHE 54 Cb -0.16 -1.91 -0.02 0.00 -0.63 0.00 0.00 43.02 40.30 1x53 s PHE 54 CO 0.07 -0.83 -0.22 -1.58 -0.05 0.00 0.00 175.22 172.61 1x53 s HIS 55 N 1.24 2.51 0.32 3.49 2.46 0.98 -2.37 115.29 123.92 1x53 s HIS 55 Ca 0.01 -0.54 -0.01 0.00 0.47 0.00 0.00 55.06 54.99 1x53 s HIS 55 Cb -0.15 -1.61 -0.01 0.00 -0.13 0.00 0.00 32.58 30.68 1x53 s HIS 55 CO -0.11 -0.10 0.40 0.00 -2.47 0.00 0.00 174.74 172.46 1x53 s MET 56 N -0.32 1.79 -1.10 2.88 0.23 0.67 0.90 119.30 124.36 1x53 s MET 56 Ca 0.01 -1.78 -0.02 0.00 -1.03 0.00 0.00 55.69 52.87 1x53 s MET 56 Cb -0.13 0.40 0.00 0.00 -1.53 0.00 0.00 34.83 33.58 1x53 s MET 56 CO 0.02 -0.71 0.93 0.28 -2.03 0.00 0.00 175.02 173.51 1x53 n VAL 57 N -0.54 -4.52 -2.02 5.16 0.31 -1.26 -1.20 118.33 114.25 1x53 n VAL 57 Ca 0.02 -0.31 -0.19 0.00 -0.01 0.00 0.00 64.34 63.85 1x53 n VAL 57 Cb 0.62 -4.41 -0.04 0.00 -0.91 0.00 0.00 33.84 29.10 1x53 n VAL 57 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1x53 n ASP 58 N -2.76 -5.46 0.00 4.52 -0.08 -1.25 -1.68 116.55 109.83 1x53 n ASP 58 Ca -0.18 0.19 0.00 0.00 -1.51 0.00 0.00 54.79 53.30 1x53 n ASP 58 Cb 0.62 -4.57 0.00 0.00 2.34 0.00 0.00 41.12 39.51 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 -0.84 0.72 0.02 0.27 0.00 -0.85 -4.86 105.19 99.66 1x53 n GLY 59 Ca -0.21 -0.70 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 1.48 0.36 -3.84 1.61 3.02 -0.34 -4.73 115.26 112.82 1x53 n ASN 60 Ca 0.00 -0.15 -0.27 0.00 -0.03 0.00 0.00 54.58 54.13 1x53 n ASN 60 Cb 0.26 1.46 -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 -3.37 0.82 0.47 2.41 1.01 -0.51 0.21 120.40 121.45 1x53 s VAL 61 Ca -0.03 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 61.59 1x53 s VAL 61 Cb 0.14 -1.03 -0.02 0.00 0.00 0.00 0.00 36.38 35.47 1x53 s VAL 61 CO 0.87 0.14 0.05 -0.94 0.00 0.00 0.00 175.10 175.21 1x53 s SER 62 N 1.76 3.64 0.00 3.32 1.04 -1.09 -0.24 113.70 122.14 1x53 s SER 62 Ca 0.02 -1.64 0.00 0.00 0.48 0.00 0.00 55.95 54.81 1x53 s SER 62 Cb -0.14 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.44 1x53 s SER 62 CO -0.07 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 173.90 1x53 n GLY 63 N -1.12 -0.77 3.36 7.32 0.00 -1.00 -2.46 105.19 110.52 1x53 n GLY 63 Ca -0.14 -0.69 -0.13 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.15 0.53 -0.04 1.61 -1.05 -1.23 -3.41 118.70 114.96 1x53 s GLU 64 Ca 0.00 0.68 -0.30 0.00 -0.15 0.00 0.00 54.97 55.21 1x53 s GLU 64 Cb 0.00 0.23 -0.02 0.00 -0.44 0.00 0.00 34.13 33.89 1x53 s GLU 64 CO 0.00 -0.08 0.98 -0.06 0.95 0.00 0.00 175.26 177.05 1x53 s PHE 65 N 0.43 3.60 -0.11 4.83 0.40 -0.69 -0.73 117.98 125.72 1x53 s PHE 65 Ca -0.01 1.64 0.06 0.00 -0.60 0.00 0.00 56.93 58.02 1x53 s PHE 65 Cb -0.04 -3.13 -0.11 0.00 0.51 0.00 0.00 43.02 40.25 1x53 s PHE 65 CO -0.02 -0.08 -0.02 0.25 0.70 0.00 0.00 175.22 176.05 1x53 n THR 66 N 4.13 0.74 -3.85 0.64 -2.24 0.10 0.16 114.28 113.97 1x53 n THR 66 Ca 0.07 -0.38 -0.12 0.00 -2.27 0.00 0.00 64.05 61.34 1x53 n THR 66 Cb 0.50 -0.82 -0.12 0.00 -2.10 0.00 0.00 70.33 67.79 1x53 n THR 66 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1x53 s ASP 67 N -4.67 -0.07 -0.21 3.42 -1.08 -0.68 -4.79 116.67 108.58 1x53 s ASP 67 Ca -0.10 0.10 -0.04 0.00 -0.52 0.00 0.00 52.55 51.99 1x53 s ASP 67 Cb 0.04 0.25 0.09 0.00 -1.46 0.00 0.00 42.92 41.84 1x53 s ASP 67 CO 0.38 -0.15 0.19 -0.76 0.52 0.00 0.00 175.17 175.35 1x53 s LEU 68 N -0.42 0.02 -0.08 -1.34 1.43 -1.26 -1.80 118.68 115.23 1x53 s LEU 68 Ca -0.05 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 1x53 s LEU 68 Cb -0.03 0.21 -0.03 0.00 0.03 0.00 0.00 46.19 46.37 1x53 s LEU 68 CO 0.00 -0.34 -0.06 -0.69 0.23 0.00 0.00 176.35 175.49 1x53 s VAL 69 N 2.27 3.78 -0.37 -1.59 1.01 -0.80 -5.04 120.40 119.67 1x53 s VAL 69 Ca 0.06 -0.44 -0.38 0.00 0.00 0.00 0.00 61.98 61.22 1x53 s VAL 69 Cb -0.16 -2.56 -0.14 0.00 0.00 0.00 0.00 36.38 33.52 1x53 s VAL 69 CO -0.15 0.59 2.10 -2.65 0.00 0.00 0.00 175.10 174.99 1x53 n PRO 70 N 2.35 0.84 -3.41 2.72 -0.02 -1.26 -2.18 135.00 134.05 1x53 n PRO 70 Ca -0.18 0.25 -0.17 0.00 -2.02 0.00 0.00 63.50 61.38 1x53 n PRO 70 Cb 0.53 -2.18 -0.05 0.00 -0.02 0.00 0.00 33.50 31.78 1x53 n PRO 70 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1x53 n GLU 71 N 7.54 -0.95 0.08 -0.52 1.02 -1.26 -4.67 120.64 121.87 1x53 n GLU 71 Ca 0.42 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.61 1x53 n GLU 71 Cb 0.15 -1.94 0.00 0.00 -0.02 0.00 0.00 31.44 29.62 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 -3.56 3.49 5.02 -0.93 -4.81 118.16 114.56 1x53 n LYS 72 Ca -0.14 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.06 1x53 n LYS 72 Cb 0.35 -0.32 -0.02 0.00 -0.02 0.00 0.00 35.03 35.02 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 -0.35 -0.05 2.13 -3.43 -1.24 -1.87 115.29 108.47 1x53 s HIS 73 Ca 0.00 0.13 -0.02 0.00 -0.80 0.00 0.00 55.06 54.37 1x53 s HIS 73 Cb 0.00 0.58 0.04 0.00 -1.43 0.00 0.00 32.58 31.77 1x53 s HIS 73 CO 0.00 -0.76 0.10 0.42 -2.00 0.00 0.00 174.74 172.50 1x53 s ILE 74 N -3.43 -0.12 -0.19 -5.38 1.01 -0.25 -1.91 121.20 110.94 1x53 s ILE 74 Ca 0.06 0.29 -0.01 0.00 0.00 0.00 0.00 60.65 60.98 1x53 s ILE 74 Cb -0.02 -0.19 -0.00 0.00 0.01 0.00 0.00 42.46 42.26 1x53 s ILE 74 CO -0.07 0.12 -0.11 -0.69 0.00 0.00 0.00 174.94 174.19 1x53 s VAL 75 N 1.63 2.86 0.24 2.92 1.01 -0.74 0.17 120.40 128.48 1x53 s VAL 75 Ca -0.03 -0.68 -0.13 0.00 0.00 0.00 0.00 61.98 61.14 1x53 s VAL 75 Cb -0.12 -2.26 -0.00 0.00 0.00 0.00 0.00 36.38 34.00 1x53 s VAL 75 CO -0.04 0.48 0.46 0.00 0.00 0.00 0.00 175.10 176.00 1x53 s MET 76 N 1.19 1.50 0.26 2.72 0.23 0.25 0.03 119.30 125.48 1x53 s MET 76 Ca 0.02 -1.23 -0.12 0.00 -1.03 0.00 0.00 55.69 53.33 1x53 s MET 76 Cb -0.14 0.46 -0.08 0.00 -1.53 0.00 0.00 34.83 33.54 1x53 s MET 76 CO -0.04 -0.62 0.62 0.15 -2.03 0.00 0.00 175.02 173.10 1x53 s LYS 77 N -4.01 3.89 -0.03 3.16 1.02 0.09 -0.19 119.74 123.67 1x53 s LYS 77 Ca 0.22 0.44 0.01 0.00 0.02 0.00 0.00 55.97 56.66 1x53 s LYS 77 Cb -0.00 -2.57 0.02 0.00 -0.52 0.00 0.00 37.83 34.75 1x53 s LYS 77 CO 0.08 0.26 -0.04 -0.46 -0.92 0.00 0.00 175.35 174.26 1x53 s TRP 78 N -1.87 0.66 0.23 3.18 -0.00 0.14 -3.52 118.94 117.76 1x53 s TRP 78 Ca 0.50 -0.16 -0.19 0.00 -0.00 0.00 0.00 56.10 56.25 1x53 s TRP 78 Cb -0.11 -0.57 0.03 0.00 -0.00 0.00 0.00 33.47 32.82 1x53 s TRP 78 CO 0.20 -0.14 0.61 -0.98 -0.00 0.00 0.00 176.95 176.63 1x53 s ARG 79 N 0.69 1.56 0.45 5.86 1.70 -1.03 -0.32 118.95 127.86 1x53 s ARG 79 Ca -0.09 -0.91 0.08 0.00 -0.47 0.00 0.00 55.73 54.34 1x53 s ARG 79 Cb -0.12 0.56 0.02 0.00 -0.57 0.00 0.00 34.95 34.84 1x53 s ARG 79 CO 0.00 -0.69 0.56 -0.06 -1.08 0.00 0.00 175.30 174.03 1x53 s PHE 80 N -3.89 2.53 -0.79 5.89 0.08 -1.26 -2.67 117.98 117.86 1x53 s PHE 80 Ca 0.10 -0.49 0.27 0.00 0.12 0.00 0.00 56.93 56.94 1x53 s PHE 80 Cb -0.03 -2.30 0.90 0.00 -0.57 0.00 0.00 43.02 41.03 1x53 s PHE 80 CO 0.01 -0.48 1.81 1.17 -0.10 0.00 0.00 175.22 177.63 1x53 n LYS 81 N -1.85 0.20 -0.19 0.44 3.00 0.58 -3.13 118.16 117.21 1x53 n LYS 81 Ca 0.08 0.17 0.05 0.00 -0.00 0.00 0.00 58.31 58.61 1x53 n LYS 81 Cb 0.60 -1.74 0.15 0.00 0.00 0.00 0.00 35.03 34.04 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 -2.09 2.92 -4.87 3.14 3.41 -1.26 -5.02 113.62 109.83 1x53 n SER 82 Ca 0.06 -2.20 -0.31 0.00 -0.26 0.00 0.00 58.87 56.17 1x53 n SER 82 Cb 0.41 -0.25 0.03 0.00 -0.26 0.00 0.00 64.21 64.14 1x53 n SER 82 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1x53 s TRP 83 N -1.35 3.48 0.28 7.33 0.52 -1.18 -5.02 118.94 122.99 1x53 s TRP 83 Ca 0.23 1.20 -0.29 0.00 0.02 0.00 0.00 56.10 57.25 1x53 s TRP 83 Cb 0.14 -2.87 -0.10 0.00 -1.15 0.00 0.00 33.47 29.49 1x53 s TRP 83 CO 0.12 -0.92 1.34 -1.25 0.02 0.00 0.00 176.95 176.26 1x53 s PRO 84 N -5.25 4.34 0.63 4.98 0.04 -1.26 -4.96 135.00 133.52 1x53 s PRO 84 Ca 0.56 2.20 -0.17 0.00 0.04 0.00 0.00 61.00 63.63 1x53 s PRO 84 Cb -0.11 -3.11 -0.07 0.00 0.04 0.00 0.00 34.50 31.25 1x53 s PRO 84 CO 0.53 -0.26 0.58 -1.91 0.04 0.00 0.00 177.00 175.98 1x53 n GLU 85 N 1.63 0.49 -4.01 4.56 4.07 -1.26 -2.25 120.64 123.87 1x53 n GLU 85 Ca 0.03 0.20 -0.32 0.00 -0.06 0.00 0.00 57.16 57.02 1x53 n GLU 85 Cb 0.42 -1.81 0.01 0.00 -0.06 0.00 0.00 31.44 30.00 1x53 n GLU 85 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1x53 n GLY 86 N 1.68 -0.45 2.58 8.31 0.00 -1.26 -4.95 105.19 111.09 1x53 n GLY 86 Ca 0.11 0.17 -0.28 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.35 0.35 0.35 1.61 5.04 -0.95 -5.14 115.29 113.20 1x53 s HIS 87 Ca 0.62 -0.72 0.04 0.00 -1.54 0.00 0.00 55.06 53.46 1x53 s HIS 87 Cb -0.32 -0.86 -0.05 0.00 0.04 0.00 0.00 32.58 31.38 1x53 s HIS 87 CO 0.86 -0.71 0.07 -0.06 -2.34 0.00 0.00 174.74 172.56 1x53 s PHE 88 N 2.09 1.95 -0.09 3.88 0.40 -1.26 -4.76 117.98 120.19 1x53 s PHE 88 Ca 0.06 -1.01 0.04 0.00 -0.60 0.00 0.00 56.93 55.42 1x53 s PHE 88 Cb -0.16 -1.30 0.00 0.00 0.51 0.00 0.00 43.02 42.07 1x53 s PHE 88 CO -0.26 -0.03 -0.22 0.00 0.70 0.00 0.00 175.22 175.42 1x53 s ALA 89 N -3.24 1.99 -0.63 5.36 0.00 0.57 -4.74 121.76 121.06 1x53 s ALA 89 Ca 0.32 -0.87 -0.28 0.00 0.00 0.00 0.00 51.96 51.13 1x53 s ALA 89 Cb 0.07 -0.74 0.03 0.00 0.00 0.00 0.00 23.12 22.48 1x53 s ALA 89 CO 0.15 0.28 1.29 0.99 0.00 0.00 0.00 175.76 178.46 1x53 s THR 90 N 0.32 3.85 -0.17 0.00 2.01 -1.09 0.23 115.64 120.79 1x53 s THR 90 Ca -0.16 0.66 -0.07 0.00 0.31 0.00 0.00 61.69 62.44 1x53 s THR 90 Cb -0.17 -4.72 -0.04 0.00 0.01 0.00 0.00 72.50 67.58 1x53 s THR 90 CO 0.07 -1.48 0.05 -0.63 -0.69 0.00 0.00 174.62 171.94 1x53 s ILE 91 N 5.56 4.74 -0.33 1.82 1.09 0.73 -1.84 121.20 132.97 1x53 s ILE 91 Ca 0.43 -0.06 0.01 0.00 -1.10 0.00 0.00 60.65 59.93 1x53 s ILE 91 Cb -0.08 -3.11 0.10 0.00 -1.06 0.00 0.00 42.46 38.31 1x53 s ILE 91 CO 0.21 0.49 0.09 -0.89 -0.10 0.00 0.00 174.94 174.74 1x53 s THR 92 N 0.13 1.51 0.53 2.92 2.01 -0.37 -0.59 115.64 121.78 1x53 s THR 92 Ca 0.04 -1.89 -0.11 0.00 0.31 0.00 0.00 61.69 60.04 1x53 s THR 92 Cb -0.12 -2.13 -0.05 0.00 0.01 0.00 0.00 72.50 70.21 1x53 s THR 92 CO 0.01 -0.66 0.92 -0.76 -0.69 0.00 0.00 174.62 173.44 1x53 s LEU 93 N 1.22 3.52 -0.09 4.42 1.43 0.13 -2.85 118.68 126.46 1x53 s LEU 93 Ca 0.11 1.32 -0.05 0.00 -1.03 0.00 0.00 54.13 54.48 1x53 s LEU 93 Cb -0.19 -4.29 0.04 0.00 0.03 0.00 0.00 46.19 41.78 1x53 s LEU 93 CO -0.16 -0.65 0.20 -0.89 0.23 0.00 0.00 176.35 175.08 1x53 s THR 94 N -2.80 -0.04 -0.25 5.49 2.01 -1.21 -1.09 115.64 117.76 1x53 s THR 94 Ca 0.54 0.14 -0.09 0.00 0.31 0.00 0.00 61.69 62.59 1x53 s THR 94 Cb -0.10 -0.31 -0.04 0.00 0.01 0.00 0.00 72.50 72.05 1x53 s THR 94 CO 0.42 0.06 0.11 -0.36 -0.69 0.00 0.00 174.62 174.16 1x53 s PHE 95 N 1.04 3.17 0.10 4.92 0.40 -0.78 -2.36 117.98 124.47 1x53 s PHE 95 Ca -0.08 -0.13 0.08 0.00 -0.60 0.00 0.00 56.93 56.21 1x53 s PHE 95 Cb -0.09 -2.26 -0.04 0.00 0.51 0.00 0.00 43.02 41.14 1x53 s PHE 95 CO -0.06 -0.19 -0.15 0.42 0.70 0.00 0.00 175.22 175.95 1x53 s ILE 96 N 1.43 3.06 -0.19 0.64 1.01 -1.20 -4.73 121.20 121.22 1x53 s ILE 96 Ca 0.06 -1.37 -0.11 0.00 0.00 0.00 0.00 60.65 59.23 1x53 s ILE 96 Cb -0.15 -2.41 -0.05 0.00 0.01 0.00 0.00 42.46 39.87 1x53 s ILE 96 CO 0.06 0.13 0.18 -0.62 0.00 0.00 0.00 174.94 174.69 1x53 s ASP 97 N -2.10 6.27 -0.03 3.58 -1.08 -1.26 -3.06 116.67 119.00 1x53 s ASP 97 Ca 0.19 0.31 0.04 0.00 -0.52 0.00 0.00 52.55 52.57 1x53 s ASP 97 Cb -0.11 -2.12 0.07 0.00 -1.46 0.00 0.00 42.92 39.30 1x53 s ASP 97 CO 0.11 0.15 0.96 0.29 0.52 0.00 0.00 175.17 177.20 1x53 n LYS 98 N 3.57 1.93 -2.45 4.34 4.76 -0.90 -4.99 118.16 124.43 1x53 n LYS 98 Ca -0.15 -1.57 -0.05 0.00 -2.87 0.00 0.00 58.31 53.67 1x53 n LYS 98 Cb 0.52 -1.01 0.03 0.00 -1.84 0.00 0.00 35.03 32.73 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 -0.61 -2.03 0.00 4.39 5.15 -1.26 -4.45 115.26 116.45 1x53 n ASN 99 Ca 0.04 -0.19 0.00 0.00 -0.60 0.00 0.00 54.58 53.83 1x53 n ASN 99 Cb 0.41 -1.93 0.00 0.00 -0.53 0.00 0.00 39.78 37.73 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 -1.04 1.96 3.54 8.20 0.00 -1.26 -5.12 105.19 111.47 1x53 n GLY 100 Ca -0.09 -0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.54 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 1.82 -0.08 1.61 2.02 -1.26 -3.29 118.70 119.52 1x53 s GLU 101 Ca 0.00 -2.01 -0.01 0.00 0.02 0.00 0.00 54.97 52.97 1x53 s GLU 101 Cb 0.00 -1.33 0.03 0.00 0.10 0.00 0.00 34.13 32.92 1x53 s GLU 101 CO 0.00 -0.09 -0.03 0.99 0.02 0.00 0.00 175.26 176.15 1x53 s THR 102 N -2.94 0.60 -0.55 3.63 2.01 0.12 -2.11 115.64 116.41 1x53 s THR 102 Ca 0.35 -0.05 -0.21 0.00 0.31 0.00 0.00 61.69 62.10 1x53 s THR 102 Cb 0.09 -0.70 0.06 0.00 0.01 0.00 0.00 72.50 71.97 1x53 s THR 102 CO 0.17 0.29 0.75 -0.70 -0.69 0.00 0.00 174.62 174.44 1x53 s GLU 103 N 1.70 3.15 -0.64 4.92 2.12 -1.17 0.95 118.70 129.73 1x53 s GLU 103 Ca 0.02 -0.83 -0.25 0.00 0.36 0.00 0.00 54.97 54.28 1x53 s GLU 103 Cb -0.13 -4.14 0.05 0.00 0.26 0.00 0.00 34.13 30.18 1x53 s GLU 103 CO -0.05 -1.42 1.05 -1.17 -0.54 0.00 0.00 175.26 173.14 1x53 s LEU 104 N 3.12 3.94 -0.83 2.70 2.96 -0.08 -3.23 118.68 127.25 1x53 s LEU 104 Ca 0.19 -0.59 -0.21 0.00 -0.22 0.00 0.00 54.13 53.30 1x53 s LEU 104 Cb -0.18 -2.63 0.10 0.00 0.50 0.00 0.00 46.19 43.97 1x53 s LEU 104 CO 0.12 -1.48 1.10 0.00 -1.32 0.00 0.00 176.35 174.77 1x53 s MET 106 N 3.51 4.57 -0.32 0.00 1.75 0.16 -3.32 119.30 125.65 1x53 s MET 106 Ca 0.30 1.45 -0.01 0.00 -1.25 0.00 0.00 55.69 56.17 1x53 s MET 106 Cb -0.09 -3.44 0.11 0.00 2.84 0.00 0.00 34.83 34.24 1x53 s MET 106 CO -0.01 -0.03 0.13 -2.00 -0.65 0.00 0.00 175.02 172.46 1x53 s GLU 107 N 0.87 0.59 -0.07 4.11 2.12 -1.13 -1.47 118.70 123.73 1x53 s GLU 107 Ca 0.52 -1.02 0.02 0.00 0.36 0.00 0.00 54.97 54.85 1x53 s GLU 107 Cb -0.22 -1.71 -0.03 0.00 0.26 0.00 0.00 34.13 32.43 1x53 s GLU 107 CO 0.28 -1.03 -0.11 0.20 -0.54 0.00 0.00 175.26 174.06 1x53 s GLY 108 N 1.60 1.61 -0.09 -1.50 0.00 -0.99 -1.24 107.32 106.71 1x53 s GLY 108 Ca 0.11 -0.93 -0.02 0.00 0.00 0.00 0.00 44.72 43.88 1x53 s GLY 108 CO -0.24 -0.67 0.04 1.09 0.00 0.00 0.00 173.10 173.32 1x53 s ARG 109 N -0.67 0.26 0.00 2.90 3.03 -0.77 -0.25 118.95 123.45 1x53 s ARG 109 Ca 0.10 0.11 0.00 0.00 2.03 0.00 0.00 55.73 57.97 1x53 s ARG 109 Cb -0.11 -1.11 0.00 0.00 -1.03 0.00 0.00 34.95 32.70 1x53 s ARG 109 CO 0.01 -0.42 0.00 0.41 -1.13 0.00 0.00 175.30 174.17 1x53 n GLY 110 N 5.22 0.08 3.70 3.88 0.00 -0.87 -2.65 105.19 114.54 1x53 n GLY 110 Ca -0.06 0.00 -0.42 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 -0.97 3.50 0.06 -0.61 1.09 -0.88 -4.61 121.20 118.77 1x53 s ILE 111 Ca 0.00 0.98 -0.37 0.00 -1.10 0.00 0.00 60.65 60.16 1x53 s ILE 111 Cb 0.00 -3.63 -0.17 0.00 -1.06 0.00 0.00 42.46 37.61 1x53 s ILE 111 CO 0.00 0.03 1.36 -2.65 -0.10 0.00 0.00 174.94 173.58 1x53 n PRO 112 N 4.84 1.12 -0.30 2.79 -0.02 -1.26 0.12 135.00 142.29 1x53 n PRO 112 Ca 0.13 0.40 0.03 0.00 -2.02 0.00 0.00 63.50 62.04 1x53 n PRO 112 Cb 0.43 -2.05 0.16 0.00 -0.02 0.00 0.00 33.50 32.03 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 4.72 1.21 0.00 3.55 0.00 -0.80 1.32 119.26 129.26 1x53 h ALA 113 Ca -0.48 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1x53 h ALA 113 Cb 1.34 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1x53 h ALA 113 CO 0.79 0.17 0.00 -0.35 0.00 0.00 0.00 179.25 179.86 1x53 n PRO 114 N -4.69 0.00 0.00 0.00 -0.04 -1.26 -2.77 135.00 126.24 1x53 n PRO 114 Ca 0.14 0.17 0.01 0.00 -0.04 0.00 0.00 63.50 63.78 1x53 n PRO 114 Cb 0.25 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.20 1x53 n PRO 114 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1x53 n GLU 115 N -1.50 5.34 -0.32 0.54 -0.58 0.12 -4.72 120.64 119.52 1x53 n GLU 115 Ca 0.05 -0.09 0.08 0.00 -0.42 0.00 0.00 57.16 56.78 1x53 n GLU 115 Cb 0.22 -0.66 0.18 0.00 -0.57 0.00 0.00 31.44 30.61 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 0.07 0.02 0.00 3.49 4.81 0.18 0.23 114.58 123.38 1x53 h GLU 116 Ca 0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1x53 h GLU 116 Cb 0.06 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1x53 h GLU 116 CO 0.00 0.01 0.00 -1.91 -0.73 0.00 0.00 179.01 176.38 1x53 n GLU 117 N -5.51 0.00 -0.38 1.92 2.13 -1.26 -2.02 120.64 115.52 1x53 n GLU 117 Ca 0.17 0.49 -0.01 0.00 0.66 0.00 0.00 57.16 58.47 1x53 n GLU 117 Cb 0.56 -1.40 0.03 0.00 0.27 0.00 0.00 31.44 30.90 1x53 n GLU 117 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1x53 n ARG 118 N -1.98 -0.24 0.00 5.31 0.63 -0.93 0.52 116.66 119.96 1x53 n ARG 118 Ca 0.00 1.53 0.00 0.00 -0.92 0.00 0.00 57.85 58.46 1x53 n ARG 118 Cb 0.00 -2.26 0.00 0.00 0.45 0.00 0.00 32.46 30.65 1x53 n ARG 118 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 1x53 n THR 119 N -5.45 0.00 -0.01 5.15 -1.04 0.77 0.23 114.28 113.94 1x53 n THR 119 Ca 0.10 1.49 0.23 0.00 -2.04 0.00 0.00 64.05 63.82 1x53 n THR 119 Cb 0.39 -2.22 0.72 0.00 -1.82 0.00 0.00 70.33 67.40 1x53 n THR 119 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 1x53 h ARG 120 N 0.00 0.00 -0.26 -2.82 2.43 -0.73 0.44 114.38 113.44 1x53 h ARG 120 Ca 0.00 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 58.98 1x53 h ARG 120 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1x53 h ARG 120 CO 0.00 0.00 -0.57 1.96 -1.51 0.00 0.00 179.97 179.85 1x53 h GLN 121 N 0.00 0.83 -0.38 0.20 1.08 0.15 -3.24 115.11 113.75 1x53 h GLN 121 Ca 0.28 -0.54 -0.14 0.00 -1.45 0.00 0.00 58.65 56.80 1x53 h GLN 121 Cb 1.26 0.07 -0.08 0.00 -0.05 0.00 0.00 27.48 28.68 1x53 h GLN 121 CO -0.00 1.17 0.02 0.41 -0.95 0.00 0.00 178.83 179.48 1x53 n GLY 122 N 0.39 4.49 0.02 3.46 0.00 0.14 -4.44 105.19 109.24 1x53 n GLY 122 Ca -0.04 -1.14 -0.02 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.86 0.17 -0.04 1.61 -0.00 0.13 -4.48 117.44 113.98 1x53 n TRP 123 Ca 0.31 0.08 -0.05 0.00 -0.00 0.00 0.00 57.50 57.84 1x53 n TRP 123 Cb 1.05 -0.31 0.16 0.00 -0.00 0.00 0.00 31.31 32.21 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 -0.27 0.62 -0.97 5.87 4.20 -1.84 0.13 115.11 122.84 1x53 h GLN 124 Ca 0.00 -0.22 0.28 0.00 0.06 0.00 0.00 58.65 58.77 1x53 h GLN 124 Cb 0.18 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.88 1x53 h GLN 124 CO 0.00 0.78 0.97 0.00 -0.67 0.00 0.00 178.83 179.91 1x53 h ARG 125 N 0.55 0.00 0.00 1.46 3.08 -1.81 0.21 114.38 117.88 1x53 h ARG 125 Ca 0.09 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.08 1x53 h ARG 125 Cb 0.65 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 1x53 h ARG 125 CO 0.05 0.00 -1.23 0.66 -1.07 0.00 0.00 179.97 178.38 1x53 n TYR 126 N -3.56 0.00 0.18 3.04 4.01 -1.06 -3.35 117.16 116.42 1x53 n TYR 126 Ca 0.21 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.88 1x53 n TYR 126 Cb 1.28 -0.15 -0.03 0.00 -0.31 0.00 0.00 39.34 40.13 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 -0.43 0.00 -0.72 -1.99 -0.05 -3.21 116.97 110.57 1x53 h TYR 127 Ca -0.09 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.63 1x53 h TYR 127 Cb 1.14 0.14 0.00 0.00 2.00 0.00 0.00 36.73 40.01 1x53 h TYR 127 CO 0.00 -0.27 -0.16 1.19 -0.00 0.00 0.00 178.16 178.93 1x53 n PHE 128 N -3.24 0.16 -0.47 4.88 3.72 -0.37 -3.70 117.46 118.44 1x53 n PHE 128 Ca -0.06 0.07 0.37 0.00 -0.05 0.00 0.00 57.45 57.78 1x53 n PHE 128 Cb 0.18 -0.29 0.58 0.00 -0.94 0.00 0.00 39.48 39.00 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 -2.87 -0.01 0.02 -1.08 -0.58 0.61 0.23 120.64 116.96 1x53 n GLU 129 Ca -0.02 0.85 -0.18 0.00 -0.42 0.00 0.00 57.16 57.38 1x53 n GLU 129 Cb 0.08 -1.85 -0.12 0.00 -0.57 0.00 0.00 31.44 28.98 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 0.44 0.71 0.62 0.00 -1.55 -3.20 103.07 100.09 1x53 h GLY 130 Ca 0.69 -0.87 -0.12 0.00 0.00 0.00 0.00 47.33 47.03 1x53 h GLY 130 CO -0.12 0.76 -0.43 -2.22 0.00 0.00 0.00 176.54 174.53 1x53 h ILE 131 N -0.15 1.44 -0.72 2.60 2.04 0.28 0.43 117.51 123.43 1x53 h ILE 131 Ca -0.10 -1.90 0.21 0.00 1.00 0.00 0.00 64.86 64.07 1x53 h ILE 131 Cb 1.44 2.48 -0.03 0.00 -0.74 0.00 0.00 36.82 39.97 1x53 h ILE 131 CO 0.14 0.55 0.55 0.11 0.00 0.00 0.00 178.15 179.50 1x53 h LYS 132 N -0.16 0.00 0.00 2.37 1.57 -0.62 0.36 116.57 120.09 1x53 h LYS 132 Ca -0.04 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.52 1x53 h LYS 132 Cb 1.12 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.40 1x53 h LYS 132 CO 0.09 0.00 -1.70 1.04 -0.57 0.00 0.00 179.45 178.30 1x53 n GLN 133 N -4.17 0.56 0.14 3.15 1.13 -1.20 -1.46 117.38 115.52 1x53 n GLN 133 Ca 0.14 0.25 -0.14 0.00 -1.94 0.00 0.00 57.00 55.31 1x53 n GLN 133 Cb 0.82 -1.47 -0.06 0.00 0.11 0.00 0.00 30.24 29.64 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 0.31 0.00 5.09 2.02 0.01 -2.84 112.91 116.51 1x53 h THR 134 Ca -0.33 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 66.77 1x53 h THR 134 Cb 1.28 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 1x53 h THR 134 CO -0.20 0.00 -0.79 -0.26 0.37 0.00 0.00 175.52 174.64 1x53 h PHE 135 N -0.58 0.00 -0.43 3.16 -1.00 -0.52 -3.48 116.94 114.10 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 0.59 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.15 1x53 h PHE 135 CO -0.27 0.32 0.00 0.41 -1.61 0.00 0.00 178.31 177.17 1x53 n GLY 136 N 1.24 0.93 2.12 -1.45 0.00 -0.35 -4.98 105.19 102.71 1x53 n GLY 136 Ca -0.01 -0.53 -0.17 0.00 0.00 0.00 0.00 46.02 45.31 1x53 n GLY 136 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1x53 n TYR 137 N -2.25 2.79 -4.10 1.61 4.01 -0.54 -4.80 117.16 113.88 1x53 n TYR 137 Ca 0.00 -1.58 -0.28 0.00 -0.16 0.00 0.00 57.90 55.88 1x53 n TYR 137 Cb 0.35 -0.84 -0.07 0.00 -0.31 0.00 0.00 39.34 38.47 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 -1.13 1.86 -0.21 2.72 0.00 -0.71 -0.98 107.32 108.87 1x53 s GLY 138 Ca 0.55 -1.15 -0.17 0.00 0.00 0.00 0.00 44.72 43.94 1x53 s GLY 138 CO 0.12 -1.14 0.48 0.00 0.00 0.00 0.00 173.10 172.55 1x53 s ALA 139 N -1.53 3.55 -0.27 3.20 0.00 -1.26 -4.76 121.76 120.69 1x53 s ALA 139 Ca 0.29 -0.47 -0.29 0.00 0.00 0.00 0.00 51.96 51.49 1x53 s ALA 139 Cb -0.11 -2.76 -0.02 0.00 0.00 0.00 0.00 23.12 20.24 1x53 s ALA 139 CO 0.21 -0.42 1.55 -1.12 0.00 0.00 0.00 175.76 175.98 1x53 s SER 140 N 1.16 6.38 0.00 0.00 0.01 -1.26 -4.95 113.70 115.04 1x53 s SER 140 Ca 0.22 1.42 0.00 0.00 1.31 0.00 0.00 55.95 58.90 1x53 s SER 140 Cb -0.15 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.54 1x53 s SER 140 CO 0.09 -1.29 0.00 0.61 0.41 0.00 0.00 173.24 173.06 1x53 n GLY 141 N 4.73 5.69 3.49 3.44 0.00 -1.26 -5.12 105.19 116.16 1x53 n GLY 141 Ca 0.18 -1.50 -0.45 0.00 0.00 0.00 0.00 46.02 44.25 1x53 n GLY 141 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1x53 n PRO 142 N 0.00 0.71 -1.04 1.61 -0.02 -1.26 -4.84 135.00 130.17 1x53 n PRO 142 Ca 0.00 0.25 -0.19 0.00 -2.02 0.00 0.00 63.50 61.54 1x53 n PRO 142 Cb 0.00 -1.48 0.01 0.00 -0.02 0.00 0.00 33.50 32.01 1x53 n PRO 142 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1x53 n SER 143 N 1.50 6.44 -4.65 2.55 7.64 -1.26 -4.92 113.62 120.92 1x53 n SER 143 Ca 0.13 -3.08 -0.43 0.00 1.01 0.00 0.00 58.87 56.50 1x53 n SER 143 Cb 0.32 -1.11 -0.02 0.00 -1.01 0.00 0.00 64.21 62.39 1x53 n SER 143 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x53 s SER 144 N 0.28 6.97 0.00 6.43 0.01 -1.26 -5.35 113.70 120.77 1x53 s SER 144 Ca 0.38 1.18 0.00 0.00 1.31 0.00 0.00 55.95 58.83 1x53 s SER 144 Cb 0.28 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.97 1x53 s SER 144 CO -0.06 -0.82 0.00 0.61 0.41 0.00 0.00 173.24 173.38