#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x53 h SER 2 N 0.00 0.32 -3.68 1.61 0.87 -2.13 -3.46 113.55 107.07 1x53 h SER 2 Ca 0.00 -0.82 -0.50 0.00 -1.23 0.00 0.00 61.79 59.24 1x53 h SER 2 Cb 0.00 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 61.83 1x53 h SER 2 CO 0.00 1.68 0.30 -0.44 -0.53 0.00 0.00 176.83 177.84 1x53 s SER 3 N -7.01 7.57 -0.19 6.23 0.01 -1.26 -5.05 113.70 114.00 1x53 s SER 3 Ca -0.23 1.86 -0.01 0.00 1.31 0.00 0.00 55.95 58.88 1x53 s SER 3 Cb 0.05 -2.58 0.01 0.00 0.21 0.00 0.00 66.02 63.72 1x53 s SER 3 CO 0.73 0.17 -0.14 -0.83 0.41 0.00 0.00 173.24 173.58 1x53 s GLY 4 N -1.18 1.47 -0.02 3.44 0.00 -1.26 -5.10 107.32 104.67 1x53 s GLY 4 Ca 0.39 -1.19 -0.01 0.00 0.00 0.00 0.00 44.72 43.91 1x53 s GLY 4 CO 0.30 0.32 0.05 -0.56 0.00 0.00 0.00 173.10 173.22 1x53 s SER 5 N 1.33 -0.02 0.48 1.64 0.01 -1.26 -5.16 113.70 110.72 1x53 s SER 5 Ca 0.05 0.10 -0.09 0.00 1.31 0.00 0.00 55.95 57.32 1x53 s SER 5 Cb -0.14 0.05 -0.05 0.00 0.21 0.00 0.00 66.02 66.10 1x53 s SER 5 CO -0.09 -0.07 0.84 -0.55 0.41 0.00 0.00 173.24 173.78 1x53 s SER 6 N 0.52 6.39 0.00 2.44 0.15 -1.26 -4.94 113.70 117.00 1x53 s SER 6 Ca -0.04 1.15 0.00 0.00 0.70 0.00 0.00 55.95 57.76 1x53 s SER 6 Cb -0.06 -2.34 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 1x53 s SER 6 CO -0.02 -0.56 0.00 0.61 1.20 0.00 0.00 173.24 174.48 1x53 n GLY 7 N -1.89 -2.42 3.66 9.45 0.00 -1.26 -4.92 105.19 107.80 1x53 n GLY 7 Ca 0.03 -1.60 -0.35 0.00 0.00 0.00 0.00 46.02 44.10 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 -0.64 4.32 0.44 -0.61 1.01 -1.26 -5.11 121.20 119.35 1x53 s ILE 8 Ca 0.00 -0.23 -0.21 0.00 0.00 0.00 0.00 60.65 60.21 1x53 s ILE 8 Cb 0.00 -2.84 -0.11 0.00 0.01 0.00 0.00 42.46 39.52 1x53 s ILE 8 CO 0.00 0.58 0.97 -2.16 0.00 0.00 0.00 174.94 174.32 1x53 s PRO 9 N -0.59 4.15 0.28 2.79 0.04 -1.26 -4.98 135.00 135.43 1x53 s PRO 9 Ca 0.10 1.16 0.02 0.00 0.04 0.00 0.00 61.00 62.32 1x53 s PRO 9 Cb -0.12 -2.16 -0.03 0.00 0.04 0.00 0.00 34.50 32.23 1x53 s PRO 9 CO 0.02 -0.10 0.25 0.95 0.04 0.00 0.00 177.00 178.16 1x53 s THR 10 N -2.14 0.00 0.28 1.26 -4.23 -1.26 -0.46 115.64 109.08 1x53 s THR 10 Ca 0.63 -1.93 0.02 0.00 -1.18 0.00 0.00 61.69 59.24 1x53 s THR 10 Cb -0.10 -2.50 -0.01 0.00 1.34 0.00 0.00 72.50 71.23 1x53 s THR 10 CO 0.14 0.00 0.32 0.00 -0.54 0.00 0.00 174.62 174.54 1x53 s LYS 12 N -2.88 2.68 -0.73 0.00 2.20 -1.26 -2.09 119.74 117.66 1x53 s LYS 12 Ca 0.28 -0.82 -0.00 0.00 -0.36 0.00 0.00 55.97 55.07 1x53 s LYS 12 Cb 0.00 -2.29 0.18 0.00 -1.51 0.00 0.00 37.83 34.21 1x53 s LYS 12 CO 0.20 0.41 0.56 0.42 -0.36 0.00 0.00 175.35 176.59 1x53 s ILE 13 N -0.22 3.68 -0.60 5.43 1.01 0.15 -4.96 121.20 125.69 1x53 s ILE 13 Ca -0.01 -3.61 -0.21 0.00 0.00 0.00 0.00 60.65 56.82 1x53 s ILE 13 Cb -0.13 -3.36 0.08 0.00 0.01 0.00 0.00 42.46 39.05 1x53 s ILE 13 CO 0.03 -0.98 0.81 -0.89 0.00 0.00 0.00 174.94 173.92 1x53 s THR 14 N -0.86 4.60 -0.18 2.92 2.01 -1.26 -2.34 115.64 120.53 1x53 s THR 14 Ca 0.22 -0.54 -0.03 0.00 0.31 0.00 0.00 61.69 61.66 1x53 s THR 14 Cb -0.13 -4.53 -0.01 0.00 0.01 0.00 0.00 72.50 67.84 1x53 s THR 14 CO -0.09 -1.19 -0.07 -0.76 -0.69 0.00 0.00 174.62 171.82 1x53 s LEU 15 N 3.31 2.89 -0.33 4.42 1.43 -0.75 -4.99 118.68 124.66 1x53 s LEU 15 Ca 0.18 -0.33 0.03 0.00 -1.03 0.00 0.00 54.13 52.97 1x53 s LEU 15 Cb -0.19 -1.70 0.10 0.00 0.03 0.00 0.00 46.19 44.42 1x53 s LEU 15 CO 0.10 0.07 0.05 -0.54 0.23 0.00 0.00 176.35 176.25 1x53 s LYS 16 N 0.96 1.36 0.19 1.70 1.02 -1.26 -0.15 119.74 123.56 1x53 s LYS 16 Ca -0.01 -1.65 0.09 0.00 0.02 0.00 0.00 55.97 54.43 1x53 s LYS 16 Cb -0.15 -2.91 -0.04 0.00 -0.52 0.00 0.00 37.83 34.21 1x53 s LYS 16 CO 0.00 -0.92 -0.18 -2.00 -0.92 0.00 0.00 175.35 171.33 1x53 s GLU 17 N 1.08 1.37 0.11 1.68 2.12 -1.07 -4.98 118.70 119.00 1x53 s GLU 17 Ca 0.09 -1.51 0.04 0.00 0.36 0.00 0.00 54.97 53.96 1x53 s GLU 17 Cb -0.19 -1.40 -0.04 0.00 0.26 0.00 0.00 34.13 32.76 1x53 s GLU 17 CO -0.11 0.27 0.05 0.99 -0.54 0.00 0.00 175.26 175.92 1x53 s THR 18 N -2.27 4.24 0.02 -1.70 2.01 -1.26 -0.10 115.64 116.58 1x53 s THR 18 Ca 0.20 -0.97 0.07 0.00 0.31 0.00 0.00 61.69 61.30 1x53 s THR 18 Cb -0.05 -3.06 -0.02 0.00 0.01 0.00 0.00 72.50 69.38 1x53 s THR 18 CO 0.08 0.06 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.50 1x53 s PHE 19 N -1.45 1.92 -0.02 4.92 0.40 0.20 -4.82 117.98 119.14 1x53 s PHE 19 Ca 0.28 -0.37 -0.00 0.00 -0.60 0.00 0.00 56.93 56.24 1x53 s PHE 19 Cb -0.11 -1.18 0.01 0.00 0.51 0.00 0.00 43.02 42.24 1x53 s PHE 19 CO 0.20 0.04 1.96 1.28 0.70 0.00 0.00 175.22 179.40 1x53 n LEU 20 N 2.15 5.31 -4.00 -0.37 7.99 -0.75 0.14 117.00 127.47 1x53 n LEU 20 Ca -0.16 -2.42 -0.09 0.00 -0.01 0.00 0.00 56.01 53.33 1x53 n LEU 20 Cb 0.53 -1.10 -0.08 0.00 -0.11 0.00 0.00 43.42 42.66 1x53 n LEU 20 CO 0.23 1.00 -0.15 0.28 -1.51 0.00 0.00 177.39 177.24 1x53 s THR 21 N -0.13 0.11 0.50 -5.08 -1.32 -1.21 -4.84 115.64 103.67 1x53 s THR 21 Ca 0.02 -1.52 -0.18 0.00 -1.21 0.00 0.00 61.69 58.79 1x53 s THR 21 Cb 0.01 -1.73 -0.08 0.00 -1.51 0.00 0.00 72.50 69.19 1x53 s THR 21 CO -0.00 -0.51 1.00 -0.44 -2.21 0.00 0.00 174.62 172.46 1x53 s SER 22 N -2.96 6.49 0.13 8.08 0.01 -1.26 -2.23 113.70 121.97 1x53 s SER 22 Ca 0.15 1.71 -0.32 0.00 1.31 0.00 0.00 55.95 58.80 1x53 s SER 22 Cb 0.05 -2.53 -0.09 0.00 0.21 0.00 0.00 66.02 63.66 1x53 s SER 22 CO -0.03 -0.68 1.56 -0.65 0.41 0.00 0.00 173.24 173.85 1x53 h PRO 23 N 1.17 -0.47 -1.13 12.44 0.11 -1.86 -0.11 132.00 142.15 1x53 h PRO 23 Ca -0.48 0.03 0.35 0.00 0.11 0.00 0.00 66.00 66.02 1x53 h PRO 23 Cb 1.20 0.11 -0.13 0.00 0.11 0.00 0.00 31.00 32.28 1x53 h PRO 23 CO 0.60 -0.31 0.70 1.49 -0.21 0.00 0.00 178.00 180.27 1x53 h GLU 24 N -0.49 0.24 0.09 1.05 4.81 -1.94 0.53 114.58 118.87 1x53 h GLU 24 Ca 0.07 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1x53 h GLU 24 Cb 0.64 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.97 1x53 h GLU 24 CO -0.49 0.16 -0.04 1.49 -0.73 0.00 0.00 179.01 179.40 1x53 h GLU 25 N 0.24 -0.11 -0.04 1.92 4.57 -1.40 -3.04 114.58 116.72 1x53 h GLU 25 Ca 0.74 0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.94 1x53 h GLU 25 Cb 1.99 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 30.60 1x53 h GLU 25 CO -0.46 -0.07 0.15 1.25 -1.18 0.00 0.00 179.01 178.70 1x53 h LEU 26 N -0.13 0.00 -1.24 1.64 5.85 -0.99 0.34 115.31 120.78 1x53 h LEU 26 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1x53 h LEU 26 Cb 0.09 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.12 1x53 h LEU 26 CO 0.02 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.12 1x53 n TYR 27 N -3.22 0.74 -0.13 1.25 9.36 0.18 -2.72 117.16 122.62 1x53 n TYR 27 Ca -0.02 0.36 -0.29 0.00 3.32 0.00 0.00 57.90 61.28 1x53 n TYR 27 Cb 0.23 -1.08 -0.10 0.00 -0.63 0.00 0.00 39.34 37.75 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 -2.24 0.59 0.20 2.98 1.74 0.11 -3.33 116.66 116.70 1x53 n ARG 28 Ca -0.01 0.30 0.13 0.00 -0.77 0.00 0.00 57.85 57.51 1x53 n ARG 28 Cb 0.08 -1.53 0.46 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 0.06 0.00 1.55 2.07 -1.54 1.99 116.25 119.38 1x53 h VAL 29 Ca -0.66 0.00 0.00 0.00 0.82 0.00 0.00 66.70 66.86 1x53 h VAL 29 Cb 1.58 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1x53 h VAL 29 CO -0.40 0.00 -1.73 0.49 0.02 0.00 0.00 177.57 175.95 1x53 n PHE 30 N -2.95 0.00 -0.95 1.57 3.01 -1.16 -4.06 117.46 112.92 1x53 n PHE 30 Ca 0.05 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.59 1x53 n PHE 30 Cb 0.83 -0.37 0.20 0.00 -0.01 0.00 0.00 39.48 40.14 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 -2.06 2.03 -3.68 4.37 -2.24 0.43 -4.91 114.28 108.23 1x53 n THR 31 Ca -0.03 -1.95 -0.28 0.00 -2.27 0.00 0.00 64.05 59.52 1x53 n THR 31 Cb 0.42 -0.19 -0.16 0.00 -2.10 0.00 0.00 70.33 68.31 1x53 n THR 31 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1x53 s THR 32 N -2.69 0.38 0.10 4.28 2.01 0.57 -4.34 115.64 115.95 1x53 s THR 32 Ca 0.36 -0.72 -0.22 0.00 0.31 0.00 0.00 61.69 61.42 1x53 s THR 32 Cb 0.30 -1.08 -0.06 0.00 0.01 0.00 0.00 72.50 71.66 1x53 s THR 32 CO 0.07 -0.43 1.38 -0.61 -0.69 0.00 0.00 174.62 174.34 1x53 h GLN 33 N 8.27 -0.11 -0.67 4.92 4.15 -1.85 -0.84 115.11 128.97 1x53 h GLN 33 Ca -0.16 0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.33 1x53 h GLN 33 Cb 1.08 0.03 -0.08 0.00 0.21 0.00 0.00 27.48 28.71 1x53 h GLN 33 CO 0.38 -0.08 -0.44 1.49 -1.93 0.00 0.00 178.83 178.26 1x53 h GLU 34 N -0.12 -0.05 -1.10 1.69 4.81 -1.91 0.96 114.58 118.87 1x53 h GLU 34 Ca 0.08 0.00 0.30 0.00 -0.13 0.00 0.00 59.36 59.62 1x53 h GLU 34 Cb 0.34 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.66 1x53 h GLU 34 CO -0.55 -0.03 0.75 -0.07 -0.73 0.00 0.00 179.01 178.38 1x53 h LEU 35 N -0.05 0.20 -0.09 1.64 3.38 -1.66 0.90 115.31 119.63 1x53 h LEU 35 Ca 0.11 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 1x53 h LEU 35 Cb 0.33 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1x53 h LEU 35 CO -0.66 0.03 -0.11 0.58 0.09 0.00 0.00 178.44 178.37 1x53 h VAL 36 N 0.17 1.38 0.00 1.22 2.07 0.22 -2.83 116.25 118.49 1x53 h VAL 36 Ca 0.57 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1x53 h VAL 36 Cb 1.89 2.06 0.00 0.00 -1.52 0.00 0.00 31.29 33.72 1x53 h VAL 36 CO -0.14 0.37 0.00 0.00 0.02 0.00 0.00 177.57 177.82 1x53 n GLN 37 N -4.64 0.17 -0.09 1.57 6.02 0.26 -1.25 117.38 119.41 1x53 n GLN 37 Ca -0.07 0.14 -0.21 0.00 -0.01 0.00 0.00 57.00 56.84 1x53 n GLN 37 Cb 0.35 -1.50 -0.12 0.00 1.02 0.00 0.00 30.24 29.99 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 2.44 0.25 -0.00 -1.58 0.00 -1.16 -2.52 119.26 116.69 1x53 h ALA 38 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 54.91 53.76 1x53 h ALA 38 Cb 0.05 0.67 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1x53 h ALA 38 CO 0.00 0.67 -0.20 1.97 0.00 0.00 0.00 179.25 181.69 1x53 n PHE 39 N -4.39 0.00 0.13 0.00 1.16 -1.03 -3.62 117.46 109.71 1x53 n PHE 39 Ca -0.30 0.00 0.06 0.00 -1.87 0.00 0.00 57.45 55.34 1x53 n PHE 39 Cb 0.69 -0.24 -0.09 0.00 -1.61 0.00 0.00 39.48 38.23 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 -1.11 0.00 -4.04 1.97 -2.24 -0.38 -4.64 114.28 103.83 1x53 n THR 40 Ca 0.11 -0.26 -0.33 0.00 -2.27 0.00 0.00 64.05 61.30 1x53 n THR 40 Cb 0.31 0.41 -0.06 0.00 -2.10 0.00 0.00 70.33 68.90 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 -1.76 -1.40 -3.78 4.78 8.25 -0.95 -4.81 115.22 115.55 1x53 n HIS 41 Ca -0.01 0.54 -0.12 0.00 -0.26 0.00 0.00 57.72 57.87 1x53 n HIS 41 Cb 0.28 -1.80 -0.08 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 -2.97 -0.67 -0.89 -1.41 0.00 -1.26 -4.99 121.76 109.58 1x53 s ALA 42 Ca 0.64 0.11 -0.19 0.00 0.00 0.00 0.00 51.96 52.52 1x53 s ALA 42 Cb -0.37 0.19 -0.24 0.00 0.00 0.00 0.00 23.12 22.70 1x53 s ALA 42 CO 0.78 -0.32 2.34 -2.30 0.00 0.00 0.00 175.76 176.26 1x53 n PRO 43 N 0.97 0.27 -5.00 0.00 -0.02 -1.26 -4.48 135.00 125.48 1x53 n PRO 43 Ca -0.20 -0.26 -0.32 0.00 -2.02 0.00 0.00 63.50 60.69 1x53 n PRO 43 Cb 0.57 -2.14 -0.14 0.00 -0.02 0.00 0.00 33.50 31.78 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 7.05 2.52 -0.33 3.55 0.00 -1.26 -2.80 121.76 130.50 1x53 s ALA 44 Ca 1.17 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 52.13 1x53 s ALA 44 Cb -0.62 -0.86 0.10 0.00 0.00 0.00 0.00 23.12 21.74 1x53 s ALA 44 CO 0.38 0.54 0.08 0.99 0.00 0.00 0.00 175.76 177.75 1x53 s THR 45 N -0.66 1.49 -0.09 0.00 2.01 0.23 -4.80 115.64 113.83 1x53 s THR 45 Ca 0.10 -1.83 -0.02 0.00 0.31 0.00 0.00 61.69 60.25 1x53 s THR 45 Cb -0.11 -2.11 -0.03 0.00 0.01 0.00 0.00 72.50 70.26 1x53 s THR 45 CO 0.00 -0.65 0.01 -0.22 -0.69 0.00 0.00 174.62 173.08 1x53 s LEU 46 N 1.28 3.64 -0.35 4.42 0.20 -1.26 -0.09 118.68 126.52 1x53 s LEU 46 Ca 0.10 0.17 0.00 0.00 0.69 0.00 0.00 54.13 55.09 1x53 s LEU 46 Cb -0.18 -1.85 0.11 0.00 -0.43 0.00 0.00 46.19 43.84 1x53 s LEU 46 CO -0.17 0.38 0.15 -1.61 -0.29 0.00 0.00 176.35 174.80 1x53 s GLU 47 N -0.92 0.86 -0.63 1.98 2.02 -1.16 -4.12 118.70 116.73 1x53 s GLU 47 Ca 0.14 -1.35 -0.26 0.00 0.02 0.00 0.00 54.97 53.52 1x53 s GLU 47 Cb -0.11 -2.03 -0.09 0.00 0.10 0.00 0.00 34.13 32.00 1x53 s GLU 47 CO 0.03 -1.05 2.36 0.00 0.02 0.00 0.00 175.26 176.61 1x53 s ALA 48 N 1.22 1.31 -0.26 5.21 0.00 -1.26 -4.33 121.76 123.65 1x53 s ALA 48 Ca 0.13 -0.39 -0.27 0.00 0.00 0.00 0.00 51.96 51.42 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 -0.16 -4.99 1.25 -0.51 0.00 0.00 0.00 175.76 171.35 1x53 s ASP 49 N 11.29 -0.18 -0.58 0.00 1.01 -1.26 -5.01 116.67 121.94 1x53 s ASP 49 Ca 0.93 0.28 -0.26 0.00 0.71 0.00 0.00 52.55 54.20 1x53 s ASP 49 Cb -0.15 0.26 -0.09 0.00 1.01 0.00 0.00 42.92 43.95 1x53 s ASP 49 CO 0.18 -0.11 2.42 0.54 0.21 0.00 0.00 175.17 178.40 1x53 n ARG 50 N 1.17 0.89 0.00 8.23 1.74 -1.26 -0.16 116.66 127.27 1x53 n ARG 50 Ca -0.07 -0.25 0.00 0.00 -0.77 0.00 0.00 57.85 56.75 1x53 n ARG 50 Cb 0.58 -3.51 0.00 0.00 -1.02 0.00 0.00 32.46 28.50 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 6.24 0.76 3.25 -0.13 0.00 0.65 -4.96 105.19 111.00 1x53 n GLY 51 Ca 0.40 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 0.61 0.00 0.00 0.00 173.32 173.93 1x53 n GLY 52 N -0.96 -3.64 3.15 -0.02 0.00 0.77 -4.40 105.19 100.10 1x53 n GLY 52 Ca 0.00 -1.61 -0.31 0.00 0.00 0.00 0.00 46.02 44.10 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 -4.92 2.83 -0.23 1.61 3.01 -1.26 -2.07 119.74 118.71 1x53 s LYS 53 Ca 0.67 -0.79 -0.01 0.00 -1.01 0.00 0.00 55.97 54.82 1x53 s LYS 53 Cb -0.14 -2.26 0.02 0.00 -1.01 0.00 0.00 37.83 34.44 1x53 s LYS 53 CO 0.57 0.02 -0.09 -0.59 0.51 0.00 0.00 175.35 175.78 1x53 s PHE 54 N 0.73 2.99 -0.05 3.18 -0.12 -1.22 -2.97 117.98 120.52 1x53 s PHE 54 Ca -0.10 -1.49 0.06 0.00 -0.05 0.00 0.00 56.93 55.35 1x53 s PHE 54 Cb -0.16 -2.03 -0.02 0.00 -0.63 0.00 0.00 43.02 40.18 1x53 s PHE 54 CO 0.01 -0.72 -0.22 -1.58 -0.05 0.00 0.00 175.22 172.66 1x53 s HIS 55 N 1.34 2.50 0.32 3.49 2.46 0.87 -2.33 115.29 123.93 1x53 s HIS 55 Ca 0.02 -0.48 -0.02 0.00 0.47 0.00 0.00 55.06 55.04 1x53 s HIS 55 Cb -0.16 -1.59 -0.00 0.00 -0.13 0.00 0.00 32.58 30.70 1x53 s HIS 55 CO -0.06 -0.06 0.43 0.00 -2.47 0.00 0.00 174.74 172.58 1x53 s MET 56 N -0.42 1.80 -1.12 2.88 0.23 0.62 0.78 119.30 124.08 1x53 s MET 56 Ca 0.04 -1.72 -0.06 0.00 -1.03 0.00 0.00 55.69 52.92 1x53 s MET 56 Cb -0.12 0.42 0.01 0.00 -1.53 0.00 0.00 34.83 33.61 1x53 s MET 56 CO 0.01 -0.73 0.82 0.28 -2.03 0.00 0.00 175.02 173.38 1x53 n VAL 57 N -0.53 -2.17 -2.98 5.16 0.31 -1.26 -1.26 118.33 115.60 1x53 n VAL 57 Ca 0.01 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.19 1x53 n VAL 57 Cb 0.62 -3.35 0.04 0.00 -0.91 0.00 0.00 33.84 30.24 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 -1.95 -4.80 -0.62 4.52 -0.08 -1.24 -2.67 116.55 109.70 1x53 n ASP 58 Ca -0.02 -0.27 -0.06 0.00 -1.51 0.00 0.00 54.79 52.94 1x53 n ASP 58 Cb 0.56 -3.54 -0.00 0.00 2.34 0.00 0.00 41.12 40.47 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 -1.39 0.20 0.06 0.27 0.00 -1.04 -4.87 105.19 98.42 1x53 n GLY 59 Ca -0.04 -0.67 -0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 0.94 0.00 -3.96 1.61 3.02 -0.46 -4.76 115.26 111.65 1x53 n ASN 60 Ca -0.07 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.19 1x53 n ASN 60 Cb 0.52 1.47 -0.16 0.00 -0.61 0.00 0.00 39.78 40.99 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 -2.97 1.44 0.48 2.41 1.01 -0.39 0.18 120.40 122.56 1x53 s VAL 61 Ca -0.09 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.10 1x53 s VAL 61 Cb 0.10 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 1x53 s VAL 61 CO 0.87 0.20 0.03 -0.94 0.00 0.00 0.00 175.10 175.26 1x53 s SER 62 N 1.49 3.80 0.00 3.32 1.04 -1.18 -0.28 113.70 121.89 1x53 s SER 62 Ca 0.00 -1.62 0.00 0.00 0.48 0.00 0.00 55.95 54.81 1x53 s SER 62 Cb -0.15 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.38 1x53 s SER 62 CO -0.08 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 173.92 1x53 n GLY 63 N -1.15 0.64 3.29 7.32 0.00 -0.98 -2.97 105.19 111.33 1x53 n GLY 63 Ca -0.15 -0.69 -0.12 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.29 0.43 -0.11 1.61 -1.05 -1.25 -3.45 118.70 114.60 1x53 s GLU 64 Ca 0.00 0.69 -0.30 0.00 -0.15 0.00 0.00 54.97 55.22 1x53 s GLU 64 Cb 0.00 0.09 -0.02 0.00 -0.44 0.00 0.00 34.13 33.76 1x53 s GLU 64 CO 0.00 -0.11 1.15 -0.06 0.95 0.00 0.00 175.26 177.19 1x53 s PHE 65 N 0.87 3.21 -0.21 4.83 0.40 -0.88 -1.38 117.98 124.83 1x53 s PHE 65 Ca -0.05 1.29 0.03 0.00 -0.60 0.00 0.00 56.93 57.60 1x53 s PHE 65 Cb -0.06 -3.37 -0.15 0.00 0.51 0.00 0.00 43.02 39.96 1x53 s PHE 65 CO -0.07 -1.04 -0.16 0.25 0.70 0.00 0.00 175.22 174.90 1x53 n THR 66 N 4.84 1.21 -3.94 0.64 -2.24 0.14 0.24 114.28 115.16 1x53 n THR 66 Ca 0.11 -0.49 -0.11 0.00 -2.27 0.00 0.00 64.05 61.29 1x53 n THR 66 Cb 0.46 -1.17 -0.13 0.00 -2.10 0.00 0.00 70.33 67.40 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 -5.93 0.18 -0.22 3.42 -1.08 -0.48 -4.77 116.67 107.79 1x53 s ASP 67 Ca -0.26 -0.23 -0.04 0.00 -0.52 0.00 0.00 52.55 51.51 1x53 s ASP 67 Cb 0.07 0.04 0.09 0.00 -1.46 0.00 0.00 42.92 41.66 1x53 s ASP 67 CO 0.51 -0.12 0.19 -0.76 0.52 0.00 0.00 175.17 175.52 1x53 s LEU 68 N -0.65 0.05 -0.09 -1.34 1.43 -1.26 -1.87 118.68 114.95 1x53 s LEU 68 Ca -0.07 -0.53 -0.01 0.00 -1.03 0.00 0.00 54.13 52.50 1x53 s LEU 68 Cb -0.05 0.17 -0.03 0.00 0.03 0.00 0.00 46.19 46.32 1x53 s LEU 68 CO -0.00 -0.36 -0.03 -0.69 0.23 0.00 0.00 176.35 175.50 1x53 s VAL 69 N 2.26 4.01 -0.37 -1.59 1.01 -0.82 -5.04 120.40 119.86 1x53 s VAL 69 Ca 0.07 -0.36 -0.38 0.00 0.00 0.00 0.00 61.98 61.31 1x53 s VAL 69 Cb -0.16 -2.68 -0.14 0.00 0.00 0.00 0.00 36.38 33.41 1x53 s VAL 69 CO -0.18 0.59 2.10 -2.65 0.00 0.00 0.00 175.10 174.96 1x53 n PRO 70 N 2.33 0.85 -3.38 2.72 -0.02 -1.26 -2.19 135.00 134.04 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 7.57 -0.95 0.08 -0.52 1.02 -1.26 -4.67 120.64 121.91 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 29.63 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 -2.78 0.00 -3.56 3.49 5.02 -0.93 -4.82 118.16 114.58 1x53 n LYS 72 Ca -0.14 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.07 1x53 n LYS 72 Cb 0.34 -0.34 -0.02 0.00 -0.02 0.00 0.00 35.03 34.99 1x53 n LYS 72 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 1x53 s HIS 73 N -2.00 -0.33 -0.03 2.13 -3.43 -1.24 -1.57 115.29 108.82 1x53 s HIS 73 Ca 0.00 0.12 -0.01 0.00 -0.80 0.00 0.00 55.06 54.37 1x53 s HIS 73 Cb 0.00 0.58 0.03 0.00 -1.43 0.00 0.00 32.58 31.76 1x53 s HIS 73 CO 0.00 -0.73 0.05 0.42 -2.00 0.00 0.00 174.74 172.48 1x53 s ILE 74 N -3.36 -0.07 -0.20 -5.38 1.01 -0.07 -1.95 121.20 111.17 1x53 s ILE 74 Ca 0.06 0.25 -0.00 0.00 0.00 0.00 0.00 60.65 60.96 1x53 s ILE 74 Cb -0.01 -0.11 0.02 0.00 0.01 0.00 0.00 42.46 42.36 1x53 s ILE 74 CO -0.06 0.10 -0.14 -0.69 0.00 0.00 0.00 174.94 174.15 1x53 s VAL 75 N 1.30 2.46 0.33 2.92 1.01 -0.78 0.64 120.40 128.28 1x53 s VAL 75 Ca -0.06 -0.88 -0.04 0.00 0.00 0.00 0.00 61.98 61.00 1x53 s VAL 75 Cb -0.13 -2.10 0.00 0.00 0.00 0.00 0.00 36.38 34.15 1x53 s VAL 75 CO -0.03 0.45 0.46 0.00 0.00 0.00 0.00 175.10 175.98 1x53 s MET 76 N 1.33 1.84 0.26 2.72 0.23 0.38 0.24 119.30 126.30 1x53 s MET 76 Ca 0.04 -1.69 -0.02 0.00 -1.03 0.00 0.00 55.69 52.99 1x53 s MET 76 Cb -0.14 0.44 -0.04 0.00 -1.53 0.00 0.00 34.83 33.56 1x53 s MET 76 CO -0.09 -0.76 0.48 0.15 -2.03 0.00 0.00 175.02 172.77 1x53 s LYS 77 N -3.21 3.56 -0.04 3.16 1.02 -0.48 0.05 119.74 123.81 1x53 s LYS 77 Ca 0.30 -0.20 -0.02 0.00 0.02 0.00 0.00 55.97 56.07 1x53 s LYS 77 Cb -0.00 -2.73 0.02 0.00 -0.52 0.00 0.00 37.83 34.60 1x53 s LYS 77 CO 0.18 0.28 0.09 -0.46 -0.92 0.00 0.00 175.35 174.52 1x53 s TRP 78 N -2.03 -0.08 0.21 3.18 -0.00 0.12 -3.86 118.94 116.48 1x53 s TRP 78 Ca 0.41 0.28 -0.23 0.00 -0.00 0.00 0.00 56.10 56.56 1x53 s TRP 78 Cb -0.11 -0.08 0.05 0.00 -0.00 0.00 0.00 33.47 33.34 1x53 s TRP 78 CO 0.30 -0.10 0.90 -0.98 -0.00 0.00 0.00 176.95 177.08 1x53 s ARG 79 N 0.69 1.46 0.36 5.86 1.70 -1.16 -0.02 118.95 127.84 1x53 s ARG 79 Ca -0.05 -0.84 0.08 0.00 -0.47 0.00 0.00 55.73 54.44 1x53 s ARG 79 Cb -0.07 0.47 -0.03 0.00 -0.57 0.00 0.00 34.95 34.75 1x53 s ARG 79 CO -0.03 -0.67 0.30 -0.06 -1.08 0.00 0.00 175.30 173.76 1x53 s PHE 80 N -3.16 2.82 -1.73 5.89 0.08 -1.26 -3.10 117.98 117.53 1x53 s PHE 80 Ca 0.14 -0.37 0.26 0.00 0.12 0.00 0.00 56.93 57.08 1x53 s PHE 80 Cb -0.03 -1.89 1.43 0.00 -0.57 0.00 0.00 43.02 41.95 1x53 s PHE 80 CO 0.05 0.11 1.88 1.17 -0.10 0.00 0.00 175.22 178.33 1x53 n LYS 81 N -1.40 0.60 -0.06 0.44 0.00 0.47 -2.55 118.16 115.66 1x53 n LYS 81 Ca -0.00 0.02 0.02 0.00 0.00 0.00 0.00 58.31 58.35 1x53 n LYS 81 Cb 0.61 -1.50 0.05 0.00 0.00 0.00 0.00 35.03 34.19 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 2.32 -4.85 3.14 2.88 -1.26 -5.04 113.62 109.67 1x53 n SER 82 Ca 0.16 -2.04 -0.31 0.00 -1.33 0.00 0.00 58.87 55.34 1x53 n SER 82 Cb 0.14 -0.09 -0.03 0.00 -0.75 0.00 0.00 64.21 63.48 1x53 n SER 82 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 1x53 s TRP 83 N -1.08 3.47 1.06 0.66 0.52 -1.06 -5.05 118.94 117.47 1x53 s TRP 83 Ca 0.08 1.33 -0.16 0.00 0.02 0.00 0.00 56.10 57.38 1x53 s TRP 83 Cb 0.05 -2.68 0.17 0.00 -1.15 0.00 0.00 33.47 29.86 1x53 s TRP 83 CO 0.05 -0.31 0.27 -2.30 0.02 0.00 0.00 176.95 174.68 1x53 n PRO 84 N -1.58 -2.32 -2.66 4.98 -0.02 -1.26 -4.92 135.00 127.21 1x53 n PRO 84 Ca 0.05 -0.68 -0.40 0.00 -2.02 0.00 0.00 63.50 60.45 1x53 n PRO 84 Cb 0.54 -1.54 -0.05 0.00 -0.02 0.00 0.00 33.50 32.42 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 -3.56 4.78 -1.50 -0.52 2.56 -1.26 -3.79 118.70 115.41 1x53 s GLU 85 Ca 0.42 1.58 -0.05 0.00 0.00 0.00 0.00 54.97 56.93 1x53 s GLU 85 Cb -0.07 -3.26 0.04 0.00 2.00 0.00 0.00 34.13 32.84 1x53 s GLU 85 CO 0.42 0.40 0.49 0.41 -0.56 0.00 0.00 175.26 176.42 1x53 n GLY 86 N 1.48 -0.28 2.72 -1.50 0.00 -1.26 -4.94 105.19 101.42 1x53 n GLY 86 Ca -0.01 0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.81 1.78 0.46 1.61 5.04 -1.25 -5.12 115.29 114.00 1x53 s HIS 87 Ca 0.21 -1.92 0.04 0.00 -1.54 0.00 0.00 55.06 51.85 1x53 s HIS 87 Cb -0.11 -1.75 -0.05 0.00 0.04 0.00 0.00 32.58 30.71 1x53 s HIS 87 CO 0.91 -0.86 0.02 -0.06 -2.34 0.00 0.00 174.74 172.41 1x53 s PHE 88 N 1.28 2.23 -0.09 3.88 0.40 -1.26 -4.74 117.98 119.67 1x53 s PHE 88 Ca 0.12 -0.79 0.04 0.00 -0.60 0.00 0.00 56.93 55.70 1x53 s PHE 88 Cb -0.19 -1.71 0.00 0.00 0.51 0.00 0.00 43.02 41.62 1x53 s PHE 88 CO -0.18 0.34 -0.23 0.00 0.70 0.00 0.00 175.22 175.85 1x53 s ALA 89 N -2.78 2.04 -0.57 5.36 0.00 0.97 -4.74 121.76 122.05 1x53 s ALA 89 Ca 0.22 -0.91 -0.28 0.00 0.00 0.00 0.00 51.96 51.00 1x53 s ALA 89 Cb 0.06 -0.75 0.02 0.00 0.00 0.00 0.00 23.12 22.44 1x53 s ALA 89 CO 0.12 0.29 1.36 0.99 0.00 0.00 0.00 175.76 178.51 1x53 s THR 90 N 0.30 3.83 -0.19 0.00 2.01 -1.12 0.13 115.64 120.61 1x53 s THR 90 Ca -0.16 0.71 -0.06 0.00 0.31 0.00 0.00 61.69 62.50 1x53 s THR 90 Cb -0.17 -4.52 -0.03 0.00 0.01 0.00 0.00 72.50 67.79 1x53 s THR 90 CO 0.07 -1.24 0.02 -0.63 -0.69 0.00 0.00 174.62 172.16 1x53 s ILE 91 N 5.80 4.26 -0.34 1.82 1.09 0.11 -2.05 121.20 131.89 1x53 s ILE 91 Ca 0.50 -0.21 0.03 0.00 -1.10 0.00 0.00 60.65 59.86 1x53 s ILE 91 Cb -0.10 -2.92 0.10 0.00 -1.06 0.00 0.00 42.46 38.49 1x53 s ILE 91 CO 0.25 0.45 0.07 -0.89 -0.10 0.00 0.00 174.94 174.72 1x53 s THR 92 N 0.66 1.95 0.53 2.92 2.01 -0.72 -0.47 115.64 122.53 1x53 s THR 92 Ca 0.01 -2.17 -0.08 0.00 0.31 0.00 0.00 61.69 59.75 1x53 s THR 92 Cb -0.14 -2.44 -0.04 0.00 0.01 0.00 0.00 72.50 69.89 1x53 s THR 92 CO 0.02 -0.63 0.89 -0.76 -0.69 0.00 0.00 174.62 173.45 1x53 s LEU 93 N 1.01 3.48 -0.11 4.42 1.43 0.21 -2.76 118.68 126.35 1x53 s LEU 93 Ca 0.11 1.16 -0.07 0.00 -1.03 0.00 0.00 54.13 54.31 1x53 s LEU 93 Cb -0.19 -4.15 0.04 0.00 0.03 0.00 0.00 46.19 41.92 1x53 s LEU 93 CO -0.12 -0.69 0.27 -0.89 0.23 0.00 0.00 176.35 175.16 1x53 s THR 94 N -2.89 -0.03 -0.23 5.49 2.01 -1.12 -0.89 115.64 117.97 1x53 s THR 94 Ca 0.51 0.11 -0.08 0.00 0.31 0.00 0.00 61.69 62.55 1x53 s THR 94 Cb -0.11 -0.41 -0.03 0.00 0.01 0.00 0.00 72.50 71.96 1x53 s THR 94 CO 0.47 0.05 0.08 -0.36 -0.69 0.00 0.00 174.62 174.16 1x53 s PHE 95 N 1.08 3.13 0.19 4.92 0.40 -0.61 -1.93 117.98 125.16 1x53 s PHE 95 Ca -0.08 -0.24 0.09 0.00 -0.60 0.00 0.00 56.93 56.10 1x53 s PHE 95 Cb -0.09 -2.20 -0.04 0.00 0.51 0.00 0.00 43.02 41.20 1x53 s PHE 95 CO -0.08 -0.20 -0.10 0.42 0.70 0.00 0.00 175.22 175.96 1x53 s ILE 96 N 1.28 3.16 -0.19 0.64 1.01 -1.18 -4.67 121.20 121.26 1x53 s ILE 96 Ca 0.05 -1.70 -0.08 0.00 0.00 0.00 0.00 60.65 58.93 1x53 s ILE 96 Cb -0.15 -2.57 -0.04 0.00 0.01 0.00 0.00 42.46 39.71 1x53 s ILE 96 CO 0.04 -0.13 0.07 -0.62 0.00 0.00 0.00 174.94 174.30 1x53 s ASP 97 N -2.88 5.67 -0.04 3.58 2.15 -1.26 -3.09 116.67 120.80 1x53 s ASP 97 Ca 0.25 0.08 0.06 0.00 0.43 0.00 0.00 52.55 53.38 1x53 s ASP 97 Cb -0.09 -1.98 0.10 0.00 -0.30 0.00 0.00 42.92 40.65 1x53 s ASP 97 CO 0.15 0.16 0.99 0.29 -0.17 0.00 0.00 175.17 176.60 1x53 n LYS 98 N 3.60 1.84 -2.49 4.34 4.76 -0.83 -4.99 118.16 124.39 1x53 n LYS 98 Ca -0.16 -1.70 -0.06 0.00 -2.87 0.00 0.00 58.31 53.52 1x53 n LYS 98 Cb 0.52 -1.07 0.03 0.00 -1.84 0.00 0.00 35.03 32.67 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 -0.71 -2.04 0.00 4.39 5.15 -1.26 -4.45 115.26 116.33 1x53 n ASN 99 Ca 0.05 -0.21 0.00 0.00 -0.60 0.00 0.00 54.58 53.83 1x53 n ASN 99 Cb 0.44 -2.04 0.00 0.00 -0.53 0.00 0.00 39.78 37.65 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 2.02 3.51 8.20 0.00 -1.26 -5.12 105.19 111.49 1x53 n GLY 100 Ca -0.09 -0.14 -0.24 0.00 0.00 0.00 0.00 46.02 45.55 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 1.74 -0.08 1.61 2.02 -1.26 -3.31 118.70 119.42 1x53 s GLU 101 Ca 0.00 -1.95 0.00 0.00 0.02 0.00 0.00 54.97 53.04 1x53 s GLU 101 Cb 0.00 -1.24 0.02 0.00 0.10 0.00 0.00 34.13 33.01 1x53 s GLU 101 CO 0.00 -0.07 -0.06 0.99 0.02 0.00 0.00 175.26 176.14 1x53 s THR 102 N -3.00 0.77 -0.55 3.63 2.01 0.12 -1.97 115.64 116.66 1x53 s THR 102 Ca 0.34 -0.18 -0.21 0.00 0.31 0.00 0.00 61.69 61.96 1x53 s THR 102 Cb 0.08 -0.80 0.06 0.00 0.01 0.00 0.00 72.50 71.84 1x53 s THR 102 CO 0.16 0.31 0.75 -0.70 -0.69 0.00 0.00 174.62 174.45 1x53 s GLU 103 N 1.41 3.16 -0.60 4.92 2.12 -1.18 0.61 118.70 129.14 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 -4.12 0.04 0.00 0.26 0.00 0.00 34.13 30.17 1x53 s GLU 103 CO -0.03 -1.40 1.02 -1.17 -0.54 0.00 0.00 175.26 173.14 1x53 s LEU 104 N 3.13 3.96 -0.73 2.70 2.96 0.86 -3.11 118.68 128.45 1x53 s LEU 104 Ca 0.19 -0.43 -0.19 0.00 -0.22 0.00 0.00 54.13 53.49 1x53 s LEU 104 Cb -0.18 -2.76 0.12 0.00 0.50 0.00 0.00 46.19 43.87 1x53 s LEU 104 CO 0.13 -1.38 0.87 0.00 -1.32 0.00 0.00 176.35 174.65 1x53 s MET 106 N 2.51 4.38 -0.32 0.00 1.75 0.79 -2.80 119.30 125.61 1x53 s MET 106 Ca 0.20 0.88 -0.01 0.00 -1.25 0.00 0.00 55.69 55.51 1x53 s MET 106 Cb -0.16 -3.33 0.11 0.00 2.84 0.00 0.00 34.83 34.30 1x53 s MET 106 CO 0.00 0.40 0.13 -2.00 -0.65 0.00 0.00 175.02 172.91 1x53 s GLU 107 N -0.38 0.60 -0.17 4.11 2.12 -1.11 -1.81 118.70 122.06 1x53 s GLU 107 Ca 0.34 -1.04 -0.06 0.00 0.36 0.00 0.00 54.97 54.57 1x53 s GLU 107 Cb -0.20 -1.70 -0.03 0.00 0.26 0.00 0.00 34.13 32.46 1x53 s GLU 107 CO 0.20 -1.04 0.01 0.20 -0.54 0.00 0.00 175.26 174.09 1x53 s GLY 108 N 1.57 1.81 -0.13 -1.50 0.00 -0.99 -1.75 107.32 106.32 1x53 s GLY 108 Ca 0.11 -0.79 -0.02 0.00 0.00 0.00 0.00 44.72 44.02 1x53 s GLY 108 CO -0.23 -0.00 0.03 1.09 0.00 0.00 0.00 173.10 173.99 1x53 s ARG 109 N 0.37 0.52 0.00 2.90 1.70 -0.87 0.32 118.95 123.89 1x53 s ARG 109 Ca -0.01 -0.12 0.00 0.00 -0.47 0.00 0.00 55.73 55.13 1x53 s ARG 109 Cb -0.13 -1.54 0.00 0.00 -0.57 0.00 0.00 34.95 32.71 1x53 s ARG 109 CO 0.02 -0.49 0.00 0.41 -1.08 0.00 0.00 175.30 174.15 1x53 n GLY 110 N 5.13 0.26 3.68 3.88 0.00 -0.89 -2.79 105.19 114.45 1x53 n GLY 110 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.93 4.53 -0.25 -0.61 1.09 -1.01 -4.50 121.20 119.51 1x53 s ILE 111 Ca 0.00 1.83 -0.40 0.00 -1.10 0.00 0.00 60.65 60.98 1x53 s ILE 111 Cb 0.00 -4.18 -0.16 0.00 -1.06 0.00 0.00 42.46 37.07 1x53 s ILE 111 CO 0.00 -0.05 1.72 -2.65 -0.10 0.00 0.00 174.94 173.85 1x53 n PRO 112 N 5.56 1.15 -0.25 2.79 -0.02 -1.26 0.10 135.00 143.07 1x53 n PRO 112 Ca 0.11 0.42 0.05 0.00 -2.02 0.00 0.00 63.50 62.06 1x53 n PRO 112 Cb 0.47 -2.10 0.16 0.00 -0.02 0.00 0.00 33.50 32.00 1x53 n PRO 112 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1x53 h ALA 113 N 7.03 0.79 -0.67 3.55 0.00 -1.01 1.61 119.26 130.56 1x53 h ALA 113 Ca -0.47 0.23 0.12 0.00 0.00 0.00 0.00 54.91 54.79 1x53 h ALA 113 Cb 1.32 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 19.45 1x53 h ALA 113 CO 0.95 -0.41 0.45 -1.35 0.00 0.00 0.00 179.25 178.89 1x53 h PRO 114 N 0.12 0.38 -0.15 0.00 0.11 -1.88 -0.83 132.00 129.76 1x53 h PRO 114 Ca 0.40 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.49 1x53 h PRO 114 Cb 0.71 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.73 1x53 h PRO 114 CO -0.63 0.25 0.00 0.39 -0.21 0.00 0.00 178.00 177.80 1x53 n GLU 115 N -4.47 1.54 -0.02 1.05 -0.58 0.74 -4.70 120.64 114.21 1x53 n GLU 115 Ca 0.12 -1.61 -0.06 0.00 -0.42 0.00 0.00 57.16 55.19 1x53 n GLU 115 Cb 0.45 -1.30 -0.04 0.00 -0.57 0.00 0.00 31.44 29.99 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 2.75 -0.19 -0.13 3.49 4.81 0.37 0.27 114.58 125.95 1x53 h GLU 116 Ca 0.00 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.28 1x53 h GLU 116 Cb 0.66 0.04 -0.07 0.00 0.63 0.00 0.00 28.75 30.02 1x53 h GLU 116 CO 0.00 -0.13 -0.50 1.49 -0.73 0.00 0.00 179.01 179.14 1x53 h GLU 117 N -0.20 -0.53 -0.81 1.92 4.81 -1.84 -1.08 114.58 116.85 1x53 h GLU 117 Ca 0.02 0.04 0.20 0.00 -0.13 0.00 0.00 59.36 59.48 1x53 h GLU 117 Cb 0.25 0.12 -0.13 0.00 0.63 0.00 0.00 28.75 29.62 1x53 h GLU 117 CO -0.18 -0.36 0.14 -0.09 -0.73 0.00 0.00 179.01 177.79 1x53 h ARG 118 N -0.56 0.17 0.00 1.92 2.43 -1.80 0.19 114.38 116.74 1x53 h ARG 118 Ca 0.05 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1x53 h ARG 118 Cb 0.67 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1x53 h ARG 118 CO -0.42 0.11 0.00 2.41 -1.51 0.00 0.00 179.97 180.56 1x53 n THR 119 N -5.26 0.00 -0.34 0.20 -1.04 0.94 -0.62 114.28 108.16 1x53 n THR 119 Ca 0.17 1.48 0.16 0.00 -2.04 0.00 0.00 64.05 63.82 1x53 n THR 119 Cb 0.56 -2.33 0.38 0.00 -1.82 0.00 0.00 70.33 67.12 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 0.63 -0.54 -2.82 2.43 -1.01 0.43 114.38 113.49 1x53 h ARG 120 Ca 0.00 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.16 1x53 h ARG 120 Cb 0.00 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.37 1x53 h ARG 120 CO 0.00 0.42 0.33 1.96 -1.51 0.00 0.00 179.97 181.16 1x53 h GLN 121 N 0.65 0.63 -0.59 0.20 1.08 -0.29 -2.66 115.11 114.13 1x53 h GLN 121 Ca 0.58 -0.04 -0.27 0.00 -1.45 0.00 0.00 58.65 57.47 1x53 h GLN 121 Cb 1.07 -0.14 -0.16 0.00 -0.05 0.00 0.00 27.48 28.19 1x53 h GLN 121 CO -0.37 0.42 0.20 0.41 -0.95 0.00 0.00 178.83 178.54 1x53 n GLY 122 N -1.25 4.56 0.02 3.46 0.00 0.21 -4.37 105.19 107.82 1x53 n GLY 122 Ca 0.04 -1.14 -0.01 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.97 0.15 0.11 1.61 -0.00 0.13 -4.52 117.44 113.95 1x53 n TRP 123 Ca 0.41 0.07 -0.02 0.00 -0.00 0.00 0.00 57.50 57.96 1x53 n TRP 123 Cb 1.26 -0.29 0.19 0.00 -0.00 0.00 0.00 31.31 32.47 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 -0.24 0.16 -1.15 5.87 4.20 -1.83 -0.87 115.11 121.26 1x53 h GLN 124 Ca 0.00 -0.09 0.33 0.00 0.06 0.00 0.00 58.65 58.95 1x53 h GLN 124 Cb 0.16 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.90 1x53 h GLN 124 CO 0.00 0.64 0.99 0.00 -0.67 0.00 0.00 178.83 179.79 1x53 h ARG 125 N 0.12 0.00 0.00 1.46 3.08 -1.81 0.19 114.38 117.42 1x53 h ARG 125 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 1x53 h ARG 125 Cb 0.96 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.00 1x53 h ARG 125 CO 0.08 0.00 -1.25 0.66 -1.07 0.00 0.00 179.97 178.38 1x53 n TYR 126 N -3.77 0.00 0.15 3.04 4.01 -1.15 -3.30 117.16 116.14 1x53 n TYR 126 Ca 0.25 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.93 1x53 n TYR 126 Cb 1.36 -0.18 -0.03 0.00 -0.31 0.00 0.00 39.34 40.18 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 -0.35 0.00 -0.72 -1.99 -0.35 -3.27 116.97 110.29 1x53 h TYR 127 Ca -0.10 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.62 1x53 h TYR 127 Cb 1.18 0.12 0.00 0.00 2.00 0.00 0.00 36.73 40.03 1x53 h TYR 127 CO 0.00 -0.22 -0.17 1.19 -0.00 0.00 0.00 178.16 178.96 1x53 n PHE 128 N -3.15 0.16 -0.44 4.88 3.72 -0.30 -3.63 117.46 118.70 1x53 n PHE 128 Ca -0.05 0.07 0.35 0.00 -0.05 0.00 0.00 57.45 57.77 1x53 n PHE 128 Cb 0.15 -0.30 0.56 0.00 -0.94 0.00 0.00 39.48 38.95 1x53 n PHE 128 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1x53 n GLU 129 N -2.91 -0.01 -0.03 -1.08 -0.58 0.50 0.16 120.64 116.68 1x53 n GLU 129 Ca -0.02 0.87 -0.15 0.00 -0.42 0.00 0.00 57.16 57.44 1x53 n GLU 129 Cb 0.09 -1.86 -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 0.14 0.45 0.62 0.00 -1.60 -3.30 103.07 99.39 1x53 h GLY 130 Ca 0.68 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.73 1x53 h GLY 130 CO -0.18 0.23 -0.13 -2.22 0.00 0.00 0.00 176.54 174.24 1x53 h ILE 131 N -0.63 0.60 -0.81 2.60 2.04 0.15 0.29 117.51 121.75 1x53 h ILE 131 Ca -0.03 -0.86 0.33 0.00 1.00 0.00 0.00 64.86 65.30 1x53 h ILE 131 Cb 1.02 0.96 -0.15 0.00 -0.74 0.00 0.00 36.82 37.92 1x53 h ILE 131 CO 0.04 0.14 0.39 0.29 0.00 0.00 0.00 178.15 179.01 1x53 n LYS 132 N -5.04 -0.05 -0.11 2.37 5.02 0.74 0.25 118.16 121.35 1x53 n LYS 132 Ca -0.08 1.13 -0.22 0.00 -2.02 0.00 0.00 58.31 57.12 1x53 n LYS 132 Cb 0.26 -2.00 -0.11 0.00 -0.02 0.00 0.00 35.03 33.16 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 -4.86 0.56 0.08 1.97 6.02 -1.22 0.13 117.38 120.06 1x53 n GLN 133 Ca 0.29 0.53 -0.11 0.00 -0.01 0.00 0.00 57.00 57.70 1x53 n GLN 133 Cb 1.00 -1.71 -0.07 0.00 1.02 0.00 0.00 30.24 30.48 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 0.00 0.00 5.09 2.02 0.18 -2.65 112.91 116.55 1x53 h THR 134 Ca -0.37 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.81 1x53 h THR 134 Cb 1.30 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1x53 h THR 134 CO -0.23 0.00 -0.30 -0.26 0.37 0.00 0.00 175.52 175.11 1x53 h PHE 135 N -0.52 0.00 -0.22 3.16 -1.00 -0.41 -3.48 116.94 114.47 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 0.52 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.08 1x53 h PHE 135 CO -0.41 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 176.70 1x53 n GLY 136 N 1.24 0.79 1.93 -1.45 0.00 -0.82 -4.96 105.19 101.91 1x53 n GLY 136 Ca 0.04 -0.65 -0.15 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.95 2.34 -4.16 1.61 4.01 0.12 -4.79 117.16 113.34 1x53 n TYR 137 Ca 0.00 -1.43 -0.25 0.00 -0.16 0.00 0.00 57.90 56.06 1x53 n TYR 137 Cb 0.39 -0.75 -0.06 0.00 -0.31 0.00 0.00 39.34 38.61 1x53 n TYR 137 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1x53 s GLY 138 N -0.80 1.64 0.29 2.72 0.00 -0.43 -1.82 107.32 108.92 1x53 s GLY 138 Ca 0.45 -1.37 0.03 0.00 0.00 0.00 0.00 44.72 43.84 1x53 s GLY 138 CO 0.09 -1.39 0.28 0.00 0.00 0.00 0.00 173.10 172.08 1x53 n ALA 139 N -0.53 0.50 -2.21 3.20 0.00 -1.26 -4.75 120.51 115.46 1x53 n ALA 139 Ca -0.08 -1.14 -0.12 0.00 0.00 0.00 0.00 53.44 52.09 1x53 n ALA 139 Cb 0.56 0.43 -0.10 0.00 0.00 0.00 0.00 19.45 20.34 1x53 n ALA 139 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1x53 s SER 140 N -2.75 1.08 0.16 0.00 1.04 -1.26 -5.11 113.70 106.86 1x53 s SER 140 Ca 0.21 -1.14 0.00 0.00 0.48 0.00 0.00 55.95 55.50 1x53 s SER 140 Cb -0.02 0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.24 1x53 s SER 140 CO 0.13 -0.56 0.00 0.61 0.98 0.00 0.00 173.24 174.40 1x53 n GLY 141 N -0.17 -2.89 3.74 7.32 0.00 -1.26 -4.90 105.19 107.03 1x53 n GLY 141 Ca -0.08 -1.31 -0.41 0.00 0.00 0.00 0.00 46.02 44.22 1x53 n GLY 141 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x53 s PRO 142 N -3.56 4.64 0.30 1.61 0.04 -1.26 -5.06 135.00 131.71 1x53 s PRO 142 Ca 0.00 1.69 0.07 0.00 0.04 0.00 0.00 61.00 62.79 1x53 s PRO 142 Cb 0.00 -3.27 -0.06 0.00 0.04 0.00 0.00 34.50 31.21 1x53 s PRO 142 CO 0.00 0.16 -0.04 -1.12 0.04 0.00 0.00 177.00 176.04 1x53 s SER 143 N -0.36 2.85 -0.71 6.66 0.01 -1.26 -5.05 113.70 115.83 1x53 s SER 143 Ca 0.47 -1.22 -0.02 0.00 1.31 0.00 0.00 55.95 56.49 1x53 s SER 143 Cb -0.29 -0.18 0.42 0.00 0.21 0.00 0.00 66.02 66.17 1x53 s SER 143 CO 0.35 -0.37 2.04 -0.24 0.41 0.00 0.00 173.24 175.44 1x53 n SER 144 N -0.63 7.65 0.00 2.44 2.88 -1.26 -5.29 113.62 119.41 1x53 n SER 144 Ca -0.05 -3.79 0.00 0.00 -1.33 0.00 0.00 58.87 53.70 1x53 n SER 144 Cb 0.64 -1.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.09 1x53 n SER 144 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42