#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x53 s SER 2 N 0.00 6.00 0.35 1.61 0.15 -1.26 -4.99 113.70 115.56 1x53 s SER 2 Ca 0.00 0.28 0.11 0.00 0.70 0.00 0.00 55.95 57.05 1x53 s SER 2 Cb 0.00 -1.95 0.90 0.00 -1.71 0.00 0.00 66.02 63.26 1x53 s SER 2 CO 0.00 0.31 1.81 0.28 1.20 0.00 0.00 173.24 176.83 1x53 h SER 3 N 5.72 0.62 0.00 5.45 0.02 -2.07 -3.29 113.55 120.00 1x53 h SER 3 Ca -0.48 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1x53 h SER 3 Cb 1.19 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1x53 h SER 3 CO 0.64 0.22 -0.15 0.61 -1.14 0.00 0.00 176.83 177.00 1x53 n GLY 4 N -1.41 -0.55 2.16 -3.77 0.00 -1.26 -5.01 105.19 95.35 1x53 n GLY 4 Ca 0.22 -0.05 -0.08 0.00 0.00 0.00 0.00 46.02 46.11 1x53 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x53 n SER 5 N -2.82 -2.95 -4.56 1.61 2.88 -1.24 -4.94 113.62 101.60 1x53 n SER 5 Ca -0.02 -0.02 -0.42 0.00 -1.33 0.00 0.00 58.87 57.07 1x53 n SER 5 Cb 0.08 -2.20 -0.01 0.00 -0.75 0.00 0.00 64.21 61.33 1x53 n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x53 s SER 6 N -2.67 6.68 0.00 -3.46 1.04 -1.26 -4.84 113.70 109.19 1x53 s SER 6 Ca 0.02 -2.00 0.00 0.00 0.48 0.00 0.00 55.95 54.45 1x53 s SER 6 Cb -0.01 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.55 1x53 s SER 6 CO 0.02 -1.30 0.00 0.61 0.98 0.00 0.00 173.24 173.55 1x53 n GLY 7 N 6.03 0.57 3.71 7.32 0.00 -1.26 -5.00 105.19 116.56 1x53 n GLY 7 Ca 0.40 -2.11 -0.35 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.15 4.55 0.43 -0.61 1.01 -1.26 -5.10 121.20 119.06 1x53 s ILE 8 Ca 0.00 -0.15 -0.22 0.00 0.00 0.00 0.00 60.65 60.28 1x53 s ILE 8 Cb 0.00 -2.94 -0.10 0.00 0.01 0.00 0.00 42.46 39.43 1x53 s ILE 8 CO 0.00 0.60 0.98 -2.16 0.00 0.00 0.00 174.94 174.36 1x53 s PRO 9 N -0.80 4.16 0.31 2.79 0.04 -1.26 -4.97 135.00 135.27 1x53 s PRO 9 Ca 0.12 1.24 0.04 0.00 0.04 0.00 0.00 61.00 62.44 1x53 s PRO 9 Cb -0.12 -2.27 -0.03 0.00 0.04 0.00 0.00 34.50 32.13 1x53 s PRO 9 CO 0.02 -0.10 0.29 0.95 0.04 0.00 0.00 177.00 178.20 1x53 s THR 10 N -2.02 0.00 0.31 1.26 -4.23 -1.26 -0.14 115.64 109.56 1x53 s THR 10 Ca 0.61 -1.92 -0.06 0.00 -1.18 0.00 0.00 61.69 59.15 1x53 s THR 10 Cb -0.13 -2.52 0.02 0.00 1.34 0.00 0.00 72.50 71.21 1x53 s THR 10 CO 0.17 0.00 0.51 0.00 -0.54 0.00 0.00 174.62 174.76 1x53 s LYS 12 N -2.44 2.68 -0.16 0.00 2.20 -1.26 -1.74 119.74 119.02 1x53 s LYS 12 Ca 0.20 -0.62 0.02 0.00 -0.36 0.00 0.00 55.97 55.21 1x53 s LYS 12 Cb -0.02 -2.57 0.01 0.00 -1.51 0.00 0.00 37.83 33.74 1x53 s LYS 12 CO 0.15 0.64 -0.21 0.42 -0.36 0.00 0.00 175.35 175.99 1x53 s ILE 13 N -0.91 2.08 -0.12 5.43 -1.09 0.61 -4.98 121.20 122.21 1x53 s ILE 13 Ca 0.15 -0.95 0.02 0.00 -2.23 0.00 0.00 60.65 57.63 1x53 s ILE 13 Cb -0.11 -1.85 0.02 0.00 -1.58 0.00 0.00 42.46 38.94 1x53 s ILE 13 CO 0.05 0.54 -0.17 -0.89 -1.23 0.00 0.00 174.94 173.24 1x53 s THR 14 N 1.06 1.66 -0.06 2.92 2.01 -1.26 -0.20 115.64 121.76 1x53 s THR 14 Ca -0.01 -0.73 -0.01 0.00 0.31 0.00 0.00 61.69 61.25 1x53 s THR 14 Cb -0.14 -1.51 0.03 0.00 0.01 0.00 0.00 72.50 70.89 1x53 s THR 14 CO -0.07 0.47 0.01 -0.76 -0.69 0.00 0.00 174.62 173.58 1x53 s LEU 15 N 1.04 0.62 -0.36 4.42 1.43 -0.63 -4.99 118.68 120.22 1x53 s LEU 15 Ca -0.04 -0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.02 1x53 s LEU 15 Cb -0.15 -0.36 0.10 0.00 0.03 0.00 0.00 46.19 45.82 1x53 s LEU 15 CO -0.04 -0.18 0.09 -0.54 0.23 0.00 0.00 176.35 175.91 1x53 s LYS 16 N 1.82 1.71 -0.02 1.70 3.01 -1.26 -0.00 119.74 126.71 1x53 s LYS 16 Ca 0.02 -1.82 0.06 0.00 -1.01 0.00 0.00 55.97 53.23 1x53 s LYS 16 Cb -0.12 -3.32 -0.02 0.00 -1.01 0.00 0.00 37.83 33.35 1x53 s LYS 16 CO -0.04 -0.96 -0.21 -2.00 0.51 0.00 0.00 175.35 172.65 1x53 s GLU 17 N 1.00 2.21 -0.05 1.68 2.12 -1.15 -4.96 118.70 119.55 1x53 s GLU 17 Ca 0.09 -0.87 -0.14 0.00 0.36 0.00 0.00 54.97 54.41 1x53 s GLU 17 Cb -0.20 -2.17 -0.05 0.00 0.26 0.00 0.00 34.13 31.97 1x53 s GLU 17 CO -0.06 0.58 0.35 0.99 -0.54 0.00 0.00 175.26 176.58 1x53 s THR 18 N -0.71 5.16 -0.06 -1.70 2.01 -1.26 -1.30 115.64 117.77 1x53 s THR 18 Ca 0.11 0.71 0.02 0.00 0.31 0.00 0.00 61.69 62.84 1x53 s THR 18 Cb -0.10 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 68.72 1x53 s THR 18 CO 0.01 0.54 -0.10 -0.36 -0.69 0.00 0.00 174.62 174.01 1x53 s PHE 19 N -0.69 2.83 -0.01 4.92 0.40 0.15 -4.79 117.98 120.79 1x53 s PHE 19 Ca 0.21 -0.07 -0.00 0.00 -0.60 0.00 0.00 56.93 56.47 1x53 s PHE 19 Cb -0.15 -1.68 0.01 0.00 0.51 0.00 0.00 43.02 41.70 1x53 s PHE 19 CO 0.10 0.25 1.96 1.28 0.70 0.00 0.00 175.22 179.52 1x53 n LEU 20 N 2.30 5.29 -4.12 -0.37 7.99 -0.67 0.20 117.00 127.63 1x53 n LEU 20 Ca -0.18 -2.40 -0.11 0.00 -0.01 0.00 0.00 56.01 53.32 1x53 n LEU 20 Cb 0.53 -1.10 -0.08 0.00 -0.11 0.00 0.00 43.42 42.65 1x53 n LEU 20 CO 0.26 1.00 -0.08 0.28 -1.51 0.00 0.00 177.39 177.34 1x53 s THR 21 N -0.07 0.01 0.41 -5.08 -1.32 -1.19 -4.85 115.64 103.56 1x53 s THR 21 Ca 0.01 -1.76 -0.20 0.00 -1.21 0.00 0.00 61.69 58.53 1x53 s THR 21 Cb 0.01 -2.35 -0.11 0.00 -1.51 0.00 0.00 72.50 68.54 1x53 s THR 21 CO -0.00 -0.03 0.91 -0.44 -2.21 0.00 0.00 174.62 172.86 1x53 s SER 22 N -3.10 6.90 0.12 8.08 0.01 -1.26 -2.27 113.70 122.18 1x53 s SER 22 Ca 0.32 1.61 -0.33 0.00 1.31 0.00 0.00 55.95 58.86 1x53 s SER 22 Cb 0.04 -2.51 -0.12 0.00 0.21 0.00 0.00 66.02 63.64 1x53 s SER 22 CO 0.10 -0.34 1.54 -0.65 0.41 0.00 0.00 173.24 174.30 1x53 h PRO 23 N 1.93 -0.51 -1.26 12.44 0.11 -1.85 0.20 132.00 143.05 1x53 h PRO 23 Ca -0.49 0.03 0.38 0.00 0.11 0.00 0.00 66.00 66.04 1x53 h PRO 23 Cb 1.18 0.12 -0.10 0.00 0.11 0.00 0.00 31.00 32.30 1x53 h PRO 23 CO 0.62 -0.34 0.84 1.05 -0.21 0.00 0.00 178.00 179.95 1x53 h GLU 24 N -0.53 0.16 0.00 1.05 4.11 -1.94 0.54 114.58 117.97 1x53 h GLU 24 Ca 0.04 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.46 1x53 h GLU 24 Cb 0.65 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1x53 h GLU 24 CO -0.46 0.10 0.00 -1.91 0.07 0.00 0.00 179.01 176.81 1x53 n GLU 25 N -4.55 0.00 0.27 1.06 2.13 0.01 -3.24 120.64 116.32 1x53 n GLU 25 Ca 0.33 0.49 0.18 0.00 0.66 0.00 0.00 57.16 58.82 1x53 n GLU 25 Cb 1.28 -1.33 0.91 0.00 0.27 0.00 0.00 31.44 32.57 1x53 n GLU 25 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1x53 h LEU 26 N 0.00 0.00 -2.12 4.31 5.85 -0.91 0.87 115.31 123.31 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 0.22 -0.34 0.00 0.00 178.44 178.32 1x53 h TYR 27 N 0.00 0.00 0.02 1.25 3.20 0.08 -2.76 116.97 118.76 1x53 h TYR 27 Ca 0.05 0.00 -0.32 0.00 3.14 0.00 0.00 58.73 61.60 1x53 h TYR 27 Cb 0.47 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.70 1x53 h TYR 27 CO 0.00 0.00 -1.78 0.54 -1.64 0.00 0.00 178.16 175.28 1x53 n ARG 28 N -2.74 0.61 0.31 1.82 1.74 0.30 -3.22 116.66 115.48 1x53 n ARG 28 Ca -0.02 0.42 0.08 0.00 -0.77 0.00 0.00 57.85 57.57 1x53 n ARG 28 Cb 0.10 -1.66 0.44 0.00 -1.02 0.00 0.00 32.46 30.32 1x53 n ARG 28 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1x53 h VAL 29 N -0.78 0.00 0.00 1.55 2.07 -1.52 1.22 116.25 118.80 1x53 h VAL 29 Ca -0.47 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 66.79 1x53 h VAL 29 Cb 1.53 0.36 -0.05 0.00 -1.52 0.00 0.00 31.29 31.61 1x53 h VAL 29 CO -0.22 0.00 -2.14 0.49 0.02 0.00 0.00 177.57 175.72 1x53 n PHE 30 N -2.61 0.00 -1.20 1.57 3.01 -1.18 -4.10 117.46 112.95 1x53 n PHE 30 Ca -0.01 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.45 1x53 n PHE 30 Cb 0.61 -0.78 0.24 0.00 -0.01 0.00 0.00 39.48 39.54 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 -2.56 2.53 -3.61 4.37 -2.24 0.27 -4.88 114.28 108.16 1x53 n THR 31 Ca -0.24 -2.20 -0.27 0.00 -2.27 0.00 0.00 64.05 59.07 1x53 n THR 31 Cb 0.96 -0.31 -0.16 0.00 -2.10 0.00 0.00 70.33 68.72 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 0.03 0.07 4.28 2.01 0.35 -4.38 115.64 114.96 1x53 s THR 32 Ca 0.46 -0.44 -0.16 0.00 0.31 0.00 0.00 61.69 61.86 1x53 s THR 32 Cb 0.39 -0.79 -0.05 0.00 0.01 0.00 0.00 72.50 72.06 1x53 s THR 32 CO 0.06 -0.42 1.27 -0.61 -0.69 0.00 0.00 174.62 174.23 1x53 h GLN 33 N 8.38 -0.12 -0.70 4.92 4.15 -1.86 -1.01 115.11 128.87 1x53 h GLN 33 Ca -0.17 0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.33 1x53 h GLN 33 Cb 1.10 0.03 -0.08 0.00 0.21 0.00 0.00 27.48 28.73 1x53 h GLN 33 CO 0.35 -0.08 -0.41 -1.91 -1.93 0.00 0.00 178.83 174.84 1x53 n GLU 34 N -4.06 -0.31 -0.34 1.69 4.07 -1.26 0.15 120.64 120.58 1x53 n GLU 34 Ca -0.01 1.34 0.30 0.00 -0.06 0.00 0.00 57.16 58.73 1x53 n GLU 34 Cb 0.15 -1.97 0.64 0.00 -0.06 0.00 0.00 31.44 30.20 1x53 n GLU 34 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 1x53 h LEU 35 N 0.00 0.21 -0.06 4.31 3.38 -1.72 0.12 115.31 121.54 1x53 h LEU 35 Ca 0.11 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 1x53 h LEU 35 Cb 0.29 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1x53 h LEU 35 CO -0.66 0.02 -0.11 0.58 0.09 0.00 0.00 178.44 178.36 1x53 h VAL 36 N 0.17 1.41 0.00 1.22 2.07 0.26 -2.88 116.25 118.50 1x53 h VAL 36 Ca 0.60 -1.40 0.00 0.00 0.82 0.00 0.00 66.70 66.73 1x53 h VAL 36 Cb 1.99 2.19 0.00 0.00 -1.52 0.00 0.00 31.29 33.95 1x53 h VAL 36 CO -0.17 0.39 0.00 0.00 0.02 0.00 0.00 177.57 177.81 1x53 n GLN 37 N -4.65 0.16 -0.10 1.57 6.02 0.34 -1.17 117.38 119.55 1x53 n GLN 37 Ca -0.08 0.12 -0.22 0.00 -0.01 0.00 0.00 57.00 56.82 1x53 n GLN 37 Cb 0.35 -1.50 -0.12 0.00 1.02 0.00 0.00 30.24 30.00 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 2.41 0.26 -0.00 -1.58 0.00 -1.17 -2.74 119.26 116.43 1x53 h ALA 38 Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 54.91 53.71 1x53 h ALA 38 Cb 0.04 0.73 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1x53 h ALA 38 CO 0.00 0.69 -0.18 1.97 0.00 0.00 0.00 179.25 181.73 1x53 n PHE 39 N -4.44 0.00 0.14 0.00 1.16 -1.02 -3.59 117.46 109.71 1x53 n PHE 39 Ca -0.32 0.00 0.06 0.00 -1.87 0.00 0.00 57.45 55.33 1x53 n PHE 39 Cb 0.68 -0.22 -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 -1.06 0.00 -4.45 1.97 -2.24 -0.32 -4.66 114.28 103.53 1x53 n THR 40 Ca 0.12 -0.27 -0.41 0.00 -2.27 0.00 0.00 64.05 61.21 1x53 n THR 40 Cb 0.30 0.39 -0.07 0.00 -2.10 0.00 0.00 70.33 68.86 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 -1.27 -3.70 4.78 8.25 -1.03 -4.79 115.22 115.66 1x53 n HIS 41 Ca -0.01 0.69 -0.14 0.00 -0.26 0.00 0.00 57.72 58.00 1x53 n HIS 41 Cb 0.31 -2.01 -0.08 0.00 1.12 0.00 0.00 29.99 29.32 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 -3.23 -0.96 -0.90 -1.41 0.00 -1.26 -4.98 121.76 109.03 1x53 s ALA 42 Ca 0.81 0.42 -0.18 0.00 0.00 0.00 0.00 51.96 53.01 1x53 s ALA 42 Cb -0.47 0.16 -0.24 0.00 0.00 0.00 0.00 23.12 22.57 1x53 s ALA 42 CO 0.99 -0.34 2.31 -2.30 0.00 0.00 0.00 175.76 176.42 1x53 n PRO 43 N 0.96 0.26 -4.87 0.00 -0.02 -1.26 -4.49 135.00 125.57 1x53 n PRO 43 Ca -0.20 -0.29 -0.33 0.00 -2.02 0.00 0.00 63.50 60.66 1x53 n PRO 43 Cb 0.57 -2.12 -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 6.69 2.68 -0.33 3.55 0.00 -1.26 -3.07 121.76 130.02 1x53 s ALA 44 Ca 1.17 -0.97 0.01 0.00 0.00 0.00 0.00 51.96 52.18 1x53 s ALA 44 Cb -0.60 -0.99 0.10 0.00 0.00 0.00 0.00 23.12 21.62 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 -0.67 1.52 -0.05 0.00 2.01 0.23 -4.80 115.64 113.88 1x53 s THR 45 Ca 0.10 -1.85 -0.01 0.00 0.31 0.00 0.00 61.69 60.24 1x53 s THR 45 Cb -0.11 -2.13 -0.03 0.00 0.01 0.00 0.00 72.50 70.23 1x53 s THR 45 CO 0.01 -0.65 0.02 -0.22 -0.69 0.00 0.00 174.62 173.09 1x53 s LEU 46 N 1.27 3.63 -0.35 4.42 0.20 -1.26 -0.15 118.68 126.45 1x53 s LEU 46 Ca 0.10 0.11 -0.00 0.00 0.69 0.00 0.00 54.13 55.04 1x53 s LEU 46 Cb -0.18 -1.95 0.12 0.00 -0.43 0.00 0.00 46.19 43.75 1x53 s LEU 46 CO -0.17 0.34 0.16 -1.61 -0.29 0.00 0.00 176.35 174.77 1x53 s GLU 47 N -1.20 0.79 -0.62 1.98 0.41 -1.12 -4.18 118.70 114.77 1x53 s GLU 47 Ca 0.16 -1.32 -0.26 0.00 -0.41 0.00 0.00 54.97 53.15 1x53 s GLU 47 Cb -0.11 -1.90 -0.09 0.00 -1.78 0.00 0.00 34.13 30.24 1x53 s GLU 47 CO 0.06 -1.07 2.37 0.00 -0.49 0.00 0.00 175.26 176.13 1x53 s ALA 48 N 1.23 1.30 -0.26 5.21 0.00 -1.26 -4.31 121.76 123.68 1x53 s ALA 48 Ca 0.13 -0.36 -0.28 0.00 0.00 0.00 0.00 51.96 51.46 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 -5.00 1.24 -0.51 0.00 0.00 0.00 175.76 171.34 1x53 s ASP 49 N 11.43 -0.18 -0.57 0.00 1.01 -1.26 -5.01 116.67 122.09 1x53 s ASP 49 Ca 0.94 0.27 -0.26 0.00 0.71 0.00 0.00 52.55 54.21 1x53 s ASP 49 Cb -0.15 0.25 -0.09 0.00 1.01 0.00 0.00 42.92 43.94 1x53 s ASP 49 CO 0.18 -0.12 2.41 -0.13 0.21 0.00 0.00 175.17 177.72 1x53 s ARG 50 N -0.57 1.95 0.00 8.23 0.52 -1.26 -0.21 118.95 127.61 1x53 s ARG 50 Ca 0.05 1.17 0.00 0.00 -0.52 0.00 0.00 55.73 56.43 1x53 s ARG 50 Cb -0.03 -4.64 0.00 0.00 0.52 0.00 0.00 34.95 30.81 1x53 s ARG 50 CO -0.07 -3.60 0.00 0.41 0.02 0.00 0.00 175.30 172.05 1x53 n GLY 51 N 6.22 0.72 3.24 -3.53 0.00 0.65 -4.96 105.19 107.53 1x53 n GLY 51 Ca 0.39 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.11 1x53 n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x53 s GLY 52 N -0.81 1.37 -0.11 -0.02 0.00 0.71 -4.41 107.32 104.05 1x53 s GLY 52 Ca 0.00 -0.87 0.03 0.00 0.00 0.00 0.00 44.72 43.88 1x53 s GLY 52 CO 0.00 0.18 -0.21 0.54 0.00 0.00 0.00 173.10 173.62 1x53 s LYS 53 N -5.11 2.73 -0.20 2.90 3.01 -1.26 -2.17 119.74 119.64 1x53 s LYS 53 Ca 0.68 -0.76 0.00 0.00 -1.01 0.00 0.00 55.97 54.89 1x53 s LYS 53 Cb -0.12 -2.14 0.02 0.00 -1.01 0.00 0.00 37.83 34.58 1x53 s LYS 53 CO 0.57 0.08 -0.16 -0.59 0.51 0.00 0.00 175.35 175.76 1x53 s PHE 54 N 0.59 2.86 -0.05 3.18 -0.12 -1.15 -2.78 117.98 120.50 1x53 s PHE 54 Ca -0.14 -1.60 0.06 0.00 -0.05 0.00 0.00 56.93 55.20 1x53 s PHE 54 Cb -0.17 -1.95 -0.01 0.00 -0.63 0.00 0.00 43.02 40.26 1x53 s PHE 54 CO 0.04 -0.78 -0.24 -1.58 -0.05 0.00 0.00 175.22 172.61 1x53 s HIS 55 N 1.30 2.31 0.31 3.49 2.46 0.79 -2.03 115.29 123.93 1x53 s HIS 55 Ca 0.04 -0.63 -0.02 0.00 0.47 0.00 0.00 55.06 54.91 1x53 s HIS 55 Cb -0.14 -1.51 -0.01 0.00 -0.13 0.00 0.00 32.58 30.79 1x53 s HIS 55 CO -0.11 -0.17 0.41 0.00 -2.47 0.00 0.00 174.74 172.40 1x53 s MET 56 N -0.24 1.76 -1.08 2.88 0.23 0.99 0.78 119.30 124.62 1x53 s MET 56 Ca -0.01 -1.71 -0.03 0.00 -1.03 0.00 0.00 55.69 52.92 1x53 s MET 56 Cb -0.13 0.41 0.00 0.00 -1.53 0.00 0.00 34.83 33.59 1x53 s MET 56 CO 0.02 -0.71 0.33 0.28 -2.03 0.00 0.00 175.02 172.92 1x53 n VAL 57 N -0.51 -1.22 -3.07 5.16 0.31 -1.26 -1.00 118.33 116.74 1x53 n VAL 57 Ca 0.02 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.21 1x53 n VAL 57 Cb 0.62 -2.58 0.05 0.00 -0.91 0.00 0.00 33.84 31.02 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 -1.03 -3.76 -1.09 4.52 -0.08 -1.25 -2.93 116.55 110.94 1x53 n ASP 58 Ca -0.09 -0.35 -0.10 0.00 -1.51 0.00 0.00 54.79 52.74 1x53 n ASP 58 Cb 0.59 -3.31 -0.01 0.00 2.34 0.00 0.00 41.12 40.74 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 -1.31 0.10 0.04 0.27 0.00 -1.14 -4.90 105.19 98.26 1x53 n GLY 59 Ca -0.06 -0.48 0.03 0.00 0.00 0.00 0.00 46.02 45.51 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 0.14 0.52 -3.90 1.61 3.02 -0.69 -4.76 115.26 111.20 1x53 n ASN 60 Ca -0.12 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.15 1x53 n ASN 60 Cb 0.56 1.57 -0.16 0.00 -0.61 0.00 0.00 39.78 41.13 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 -3.04 1.14 0.48 2.41 1.01 -0.17 0.12 120.40 122.35 1x53 s VAL 61 Ca -0.08 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.29 1x53 s VAL 61 Cb 0.10 -1.30 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 1x53 s VAL 61 CO 0.79 0.14 0.02 -0.94 0.00 0.00 0.00 175.10 175.11 1x53 s SER 62 N 1.62 3.94 0.00 3.32 1.04 -1.19 -0.01 113.70 122.43 1x53 s SER 62 Ca 0.01 -1.61 0.00 0.00 0.48 0.00 0.00 55.95 54.82 1x53 s SER 62 Cb -0.15 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.36 1x53 s SER 62 CO -0.08 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 173.95 1x53 n GLY 63 N -1.18 -1.24 3.15 7.32 0.00 -0.86 -2.97 105.19 109.41 1x53 n GLY 63 Ca -0.16 -0.85 -0.13 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.25 0.32 -0.12 1.61 -1.05 -1.25 -2.95 118.70 115.01 1x53 s GLU 64 Ca 0.00 0.34 -0.28 0.00 -0.15 0.00 0.00 54.97 54.88 1x53 s GLU 64 Cb 0.00 0.16 -0.01 0.00 -0.44 0.00 0.00 34.13 33.83 1x53 s GLU 64 CO 0.00 -0.04 0.94 -0.06 0.95 0.00 0.00 175.26 177.05 1x53 s PHE 65 N 0.07 3.49 -0.19 4.83 0.40 -0.92 -0.78 117.98 124.88 1x53 s PHE 65 Ca -0.01 1.48 0.04 0.00 -0.60 0.00 0.00 56.93 57.84 1x53 s PHE 65 Cb -0.02 -3.12 -0.14 0.00 0.51 0.00 0.00 43.02 40.25 1x53 s PHE 65 CO 0.00 -0.21 -0.13 0.25 0.70 0.00 0.00 175.22 175.83 1x53 n THR 66 N 4.56 1.11 -3.91 0.64 -2.24 0.12 0.24 114.28 114.79 1x53 n THR 66 Ca 0.07 -0.47 -0.11 0.00 -2.27 0.00 0.00 64.05 61.27 1x53 n THR 66 Cb 0.49 -1.08 -0.12 0.00 -2.10 0.00 0.00 70.33 67.51 1x53 n THR 66 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1x53 s ASP 67 N -5.71 0.08 -0.18 3.42 2.15 -0.54 -4.77 116.67 111.12 1x53 s ASP 67 Ca -0.23 -0.18 -0.04 0.00 0.43 0.00 0.00 52.55 52.53 1x53 s ASP 67 Cb 0.06 0.07 0.08 0.00 -0.30 0.00 0.00 42.92 42.84 1x53 s ASP 67 CO 0.48 -0.14 0.18 -0.76 -0.17 0.00 0.00 175.17 174.76 1x53 s LEU 68 N -0.63 0.00 -0.07 -1.34 1.43 -1.26 -1.61 118.68 115.20 1x53 s LEU 68 Ca -0.07 -0.24 0.02 0.00 -1.03 0.00 0.00 54.13 52.81 1x53 s LEU 68 Cb -0.04 0.22 -0.03 0.00 0.03 0.00 0.00 46.19 46.37 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 3.27 -0.34 -1.59 1.01 -0.80 -5.04 120.40 119.19 1x53 s VAL 69 Ca 0.05 -0.64 -0.39 0.00 0.00 0.00 0.00 61.98 61.01 1x53 s VAL 69 Cb -0.15 -2.31 -0.14 0.00 0.00 0.00 0.00 36.38 33.77 1x53 s VAL 69 CO -0.11 0.58 1.99 -2.65 0.00 0.00 0.00 175.10 174.92 1x53 n PRO 70 N 2.47 0.95 -3.16 2.72 -0.02 -1.26 -2.27 135.00 134.41 1x53 n PRO 70 Ca -0.17 0.30 -0.12 0.00 -2.02 0.00 0.00 63.50 61.49 1x53 n PRO 70 Cb 0.52 -2.16 -0.04 0.00 -0.02 0.00 0.00 33.50 31.81 1x53 n PRO 70 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1x53 n GLU 71 N 6.88 -0.97 0.07 -0.52 1.02 -1.26 -4.64 120.64 121.22 1x53 n GLU 71 Ca 0.37 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.55 1x53 n GLU 71 Cb 0.14 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 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 -2.35 0.00 -3.56 3.49 4.76 -0.96 -4.82 118.16 114.71 1x53 n LYS 72 Ca -0.11 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.25 1x53 n LYS 72 Cb 0.26 -0.30 -0.02 0.00 -1.84 0.00 0.00 35.03 33.13 1x53 n LYS 72 CO 0.00 0.00 0.00 -3.38 -1.37 0.00 0.00 177.40 172.65 1x53 s HIS 73 N -2.00 -0.33 -0.03 2.13 -3.43 -1.24 -2.07 115.29 108.33 1x53 s HIS 73 Ca 0.00 0.12 -0.01 0.00 -0.80 0.00 0.00 55.06 54.38 1x53 s HIS 73 Cb 0.00 0.57 0.03 0.00 -1.43 0.00 0.00 32.58 31.76 1x53 s HIS 73 CO 0.00 -0.71 0.05 0.42 -2.00 0.00 0.00 174.74 172.50 1x53 s ILE 74 N -3.33 -0.07 -0.19 -5.38 1.01 -0.02 -1.91 121.20 111.32 1x53 s ILE 74 Ca 0.06 0.24 -0.00 0.00 0.00 0.00 0.00 60.65 60.95 1x53 s ILE 74 Cb -0.01 -0.11 0.01 0.00 0.01 0.00 0.00 42.46 42.36 1x53 s ILE 74 CO -0.06 0.10 -0.16 -0.69 0.00 0.00 0.00 174.94 174.12 1x53 s VAL 75 N 1.24 2.38 0.27 2.92 1.01 -0.63 0.27 120.40 127.86 1x53 s VAL 75 Ca -0.07 -0.83 -0.10 0.00 0.00 0.00 0.00 61.98 60.98 1x53 s VAL 75 Cb -0.13 -2.02 -0.00 0.00 0.00 0.00 0.00 36.38 34.23 1x53 s VAL 75 CO -0.03 0.51 0.46 0.00 0.00 0.00 0.00 175.10 176.04 1x53 s MET 76 N 1.29 1.63 0.31 2.72 0.23 0.15 0.11 119.30 125.74 1x53 s MET 76 Ca 0.04 -1.40 -0.05 0.00 -1.03 0.00 0.00 55.69 53.25 1x53 s MET 76 Cb -0.13 0.46 -0.05 0.00 -1.53 0.00 0.00 34.83 33.57 1x53 s MET 76 CO -0.10 -0.67 0.58 0.15 -2.03 0.00 0.00 175.02 172.95 1x53 s LYS 77 N -3.74 3.64 -0.03 3.16 1.02 0.04 -0.06 119.74 123.76 1x53 s LYS 77 Ca 0.25 0.04 -0.02 0.00 0.02 0.00 0.00 55.97 56.27 1x53 s LYS 77 Cb -0.00 -2.61 0.01 0.00 -0.52 0.00 0.00 37.83 34.71 1x53 s LYS 77 CO 0.12 0.17 0.07 -0.46 -0.92 0.00 0.00 175.35 174.33 1x53 s TRP 78 N -2.15 -0.07 0.17 3.18 -0.00 0.49 -3.75 118.94 116.81 1x53 s TRP 78 Ca 0.45 0.21 -0.24 0.00 -0.00 0.00 0.00 56.10 56.52 1x53 s TRP 78 Cb -0.11 -0.02 0.06 0.00 -0.00 0.00 0.00 33.47 33.40 1x53 s TRP 78 CO 0.31 -0.06 0.91 -0.98 -0.00 0.00 0.00 176.95 177.12 1x53 s ARG 79 N 0.32 1.31 0.32 5.86 1.70 -1.16 -0.41 118.95 126.89 1x53 s ARG 79 Ca -0.02 -0.72 0.07 0.00 -0.47 0.00 0.00 55.73 54.59 1x53 s ARG 79 Cb -0.04 0.45 -0.03 0.00 -0.57 0.00 0.00 34.95 34.77 1x53 s ARG 79 CO -0.01 -0.60 0.31 -0.06 -1.08 0.00 0.00 175.30 173.86 1x53 s PHE 80 N -3.41 2.98 -1.74 5.89 0.08 -1.26 -3.15 117.98 117.36 1x53 s PHE 80 Ca 0.12 -0.26 0.25 0.00 0.12 0.00 0.00 56.93 57.16 1x53 s PHE 80 Cb -0.02 -1.77 1.39 0.00 -0.57 0.00 0.00 43.02 42.04 1x53 s PHE 80 CO 0.03 0.20 1.85 1.17 -0.10 0.00 0.00 175.22 178.37 1x53 n LYS 81 N -1.39 0.59 -0.00 0.44 0.00 0.32 -2.75 118.16 115.36 1x53 n LYS 81 Ca -0.02 0.03 0.02 0.00 0.00 0.00 0.00 58.31 58.33 1x53 n LYS 81 Cb 0.59 -1.50 -0.03 0.00 0.00 0.00 0.00 35.03 34.09 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 2.15 -4.49 3.14 2.88 -1.26 -5.05 113.62 109.86 1x53 n SER 82 Ca 0.16 -0.29 -0.33 0.00 -1.33 0.00 0.00 58.87 57.08 1x53 n SER 82 Cb 0.14 1.12 0.12 0.00 -0.75 0.00 0.00 64.21 64.84 1x53 n SER 82 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 1x53 n TRP 83 N -1.40 -0.73 -1.10 0.66 7.02 -1.11 -4.91 117.44 115.87 1x53 n TRP 83 Ca -0.00 0.29 -0.35 0.00 -1.02 0.00 0.00 57.50 56.42 1x53 n TRP 83 Cb 0.10 -1.87 0.08 0.00 -2.42 0.00 0.00 31.31 27.21 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 -2.14 0.09 -1.73 -0.99 -0.02 -1.26 -4.85 135.00 124.10 1x53 n PRO 84 Ca 0.09 0.07 -0.42 0.00 -2.02 0.00 0.00 63.50 61.22 1x53 n PRO 84 Cb 0.52 -1.78 -0.03 0.00 -0.02 0.00 0.00 33.50 32.20 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 -2.96 4.13 -1.18 -0.52 2.12 -1.26 -2.78 118.70 116.24 1x53 s GLU 85 Ca 0.61 2.60 -0.05 0.00 0.36 0.00 0.00 54.97 58.49 1x53 s GLU 85 Cb -0.30 -3.20 -0.02 0.00 0.26 0.00 0.00 34.13 30.87 1x53 s GLU 85 CO 0.63 -0.77 0.85 0.41 -0.54 0.00 0.00 175.26 175.83 1x53 n GLY 86 N 4.03 -0.66 2.73 -1.50 0.00 -1.26 -5.00 105.19 103.53 1x53 n GLY 86 Ca 0.16 0.30 -0.29 0.00 0.00 0.00 0.00 46.02 46.19 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 -3.49 1.47 0.32 1.61 2.46 -1.12 -5.13 115.29 111.42 1x53 s HIS 87 Ca 0.20 -1.46 0.09 0.00 0.47 0.00 0.00 55.06 54.36 1x53 s HIS 87 Cb -0.04 -1.48 -0.06 0.00 -0.13 0.00 0.00 32.58 30.86 1x53 s HIS 87 CO 0.78 -0.81 -0.10 -0.06 -2.47 0.00 0.00 174.74 172.08 1x53 s PHE 88 N 1.70 2.28 -0.07 3.88 0.40 -1.26 -4.74 117.98 120.18 1x53 s PHE 88 Ca 0.06 -0.52 0.05 0.00 -0.60 0.00 0.00 56.93 55.93 1x53 s PHE 88 Cb -0.17 -1.26 -0.00 0.00 0.51 0.00 0.00 43.02 42.10 1x53 s PHE 88 CO -0.21 0.54 -0.22 0.00 0.70 0.00 0.00 175.22 176.03 1x53 s ALA 89 N -2.68 1.96 -0.40 5.36 0.00 0.45 -4.82 121.76 121.63 1x53 s ALA 89 Ca 0.31 -0.90 -0.29 0.00 0.00 0.00 0.00 51.96 51.09 1x53 s ALA 89 Cb 0.02 -0.67 0.01 0.00 0.00 0.00 0.00 23.12 22.48 1x53 s ALA 89 CO 0.15 0.32 1.28 0.99 0.00 0.00 0.00 175.76 178.51 1x53 s THR 90 N 0.10 4.10 -0.11 0.00 2.01 -1.03 -0.38 115.64 120.33 1x53 s THR 90 Ca -0.09 1.16 -0.00 0.00 0.31 0.00 0.00 61.69 63.07 1x53 s THR 90 Cb -0.15 -4.32 -0.02 0.00 0.01 0.00 0.00 72.50 68.01 1x53 s THR 90 CO 0.05 -0.74 -0.08 -0.63 -0.69 0.00 0.00 174.62 172.53 1x53 s ILE 91 N 4.75 3.52 -0.31 1.82 1.09 0.91 -0.61 121.20 132.38 1x53 s ILE 91 Ca 0.55 -0.52 0.00 0.00 -1.10 0.00 0.00 60.65 59.58 1x53 s ILE 91 Cb -0.12 -2.47 0.09 0.00 -1.06 0.00 0.00 42.46 38.90 1x53 s ILE 91 CO 0.29 0.55 0.07 -0.89 -0.10 0.00 0.00 174.94 174.86 1x53 s THR 92 N -0.19 1.24 0.44 2.92 2.01 0.31 -0.68 115.64 121.69 1x53 s THR 92 Ca 0.02 -1.57 -0.06 0.00 0.31 0.00 0.00 61.69 60.39 1x53 s THR 92 Cb -0.13 -1.89 -0.04 0.00 0.01 0.00 0.00 72.50 70.45 1x53 s THR 92 CO 0.03 -0.59 0.74 -0.76 -0.69 0.00 0.00 174.62 173.35 1x53 s LEU 93 N 1.44 3.73 -0.10 4.42 1.43 0.14 -2.36 118.68 127.39 1x53 s LEU 93 Ca 0.08 0.90 -0.05 0.00 -1.03 0.00 0.00 54.13 54.03 1x53 s LEU 93 Cb -0.18 -3.83 0.04 0.00 0.03 0.00 0.00 46.19 42.26 1x53 s LEU 93 CO -0.19 -0.49 0.23 -0.89 0.23 0.00 0.00 176.35 175.24 1x53 s THR 94 N -2.59 -0.03 -0.22 5.49 2.01 -1.10 -0.84 115.64 118.36 1x53 s THR 94 Ca 0.47 0.13 -0.08 0.00 0.31 0.00 0.00 61.69 62.52 1x53 s THR 94 Cb -0.10 -0.35 -0.04 0.00 0.01 0.00 0.00 72.50 72.02 1x53 s THR 94 CO 0.41 0.05 0.08 -0.36 -0.69 0.00 0.00 174.62 174.10 1x53 s PHE 95 N 1.06 3.17 0.17 4.92 0.40 -0.88 -1.61 117.98 125.22 1x53 s PHE 95 Ca -0.08 -0.12 0.09 0.00 -0.60 0.00 0.00 56.93 56.23 1x53 s PHE 95 Cb -0.09 -2.17 -0.04 0.00 0.51 0.00 0.00 43.02 41.23 1x53 s PHE 95 CO -0.07 -0.09 -0.15 0.42 0.70 0.00 0.00 175.22 176.04 1x53 s ILE 96 N 1.02 2.92 -0.18 0.64 1.01 -1.16 -4.68 121.20 120.77 1x53 s ILE 96 Ca 0.04 -1.70 -0.09 0.00 0.00 0.00 0.00 60.65 58.91 1x53 s ILE 96 Cb -0.14 -2.41 -0.05 0.00 0.01 0.00 0.00 42.46 39.87 1x53 s ILE 96 CO 0.03 -0.06 0.11 -0.62 0.00 0.00 0.00 174.94 174.40 1x53 s ASP 97 N -2.61 6.04 -0.04 3.58 2.15 -1.26 -2.87 116.67 121.65 1x53 s ASP 97 Ca 0.22 0.21 0.05 0.00 0.43 0.00 0.00 52.55 53.47 1x53 s ASP 97 Cb -0.09 -2.03 0.08 0.00 -0.30 0.00 0.00 42.92 40.58 1x53 s ASP 97 CO 0.13 0.21 0.96 0.29 -0.17 0.00 0.00 175.17 176.59 1x53 n LYS 98 N 3.30 1.77 -2.46 4.34 4.76 -0.89 -4.99 118.16 123.99 1x53 n LYS 98 Ca -0.17 -1.60 -0.05 0.00 -2.87 0.00 0.00 58.31 53.62 1x53 n LYS 98 Cb 0.52 -1.02 0.03 0.00 -1.84 0.00 0.00 35.03 32.72 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 -0.64 -2.15 0.00 4.39 5.15 -1.26 -4.47 115.26 116.28 1x53 n ASN 99 Ca 0.05 -0.18 0.00 0.00 -0.60 0.00 0.00 54.58 53.85 1x53 n ASN 99 Cb 0.44 -1.85 0.00 0.00 -0.53 0.00 0.00 39.78 37.85 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 -1.03 2.47 3.56 8.20 0.00 -1.26 -5.13 105.19 112.00 1x53 n GLY 100 Ca -0.08 -0.23 -0.26 0.00 0.00 0.00 0.00 46.02 45.45 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 1.84 -0.08 1.61 2.02 -1.26 -3.13 118.70 119.70 1x53 s GLU 101 Ca 0.00 -2.03 -0.00 0.00 0.02 0.00 0.00 54.97 52.96 1x53 s GLU 101 Cb 0.00 -1.40 0.02 0.00 0.10 0.00 0.00 34.13 32.85 1x53 s GLU 101 CO 0.00 -0.07 -0.05 0.99 0.02 0.00 0.00 175.26 176.15 1x53 s THR 102 N -2.88 0.73 -0.58 3.63 2.01 0.13 -2.09 115.64 116.59 1x53 s THR 102 Ca 0.35 -0.13 -0.21 0.00 0.31 0.00 0.00 61.69 62.01 1x53 s THR 102 Cb 0.09 -0.78 0.07 0.00 0.01 0.00 0.00 72.50 71.89 1x53 s THR 102 CO 0.17 0.31 0.79 -0.70 -0.69 0.00 0.00 174.62 174.49 1x53 s GLU 103 N 1.58 3.12 -0.68 4.92 -6.30 -1.14 0.29 118.70 120.50 1x53 s GLU 103 Ca 0.01 -0.92 -0.24 0.00 -2.50 0.00 0.00 54.97 51.32 1x53 s GLU 103 Cb -0.13 -4.18 0.05 0.00 0.00 0.00 0.00 34.13 29.87 1x53 s GLU 103 CO -0.05 -1.52 1.08 -1.17 0.02 0.00 0.00 175.26 173.62 1x53 s LEU 104 N 3.23 3.92 -0.73 2.70 2.96 -0.42 -2.98 118.68 127.35 1x53 s LEU 104 Ca 0.18 -0.72 -0.22 0.00 -0.22 0.00 0.00 54.13 53.14 1x53 s LEU 104 Cb -0.19 -2.52 0.07 0.00 0.50 0.00 0.00 46.19 44.05 1x53 s LEU 104 CO 0.11 -1.56 1.05 0.00 -1.32 0.00 0.00 176.35 174.62 1x53 s MET 106 N 4.09 4.43 -0.30 0.00 1.75 1.00 -2.72 119.30 127.55 1x53 s MET 106 Ca 0.26 1.10 -0.02 0.00 -1.25 0.00 0.00 55.69 55.78 1x53 s MET 106 Cb -0.13 -3.49 0.10 0.00 2.84 0.00 0.00 34.83 34.15 1x53 s MET 106 CO 0.07 -0.09 0.11 -2.00 -0.65 0.00 0.00 175.02 172.46 1x53 s GLU 107 N 1.28 0.52 0.03 4.11 2.12 -1.00 -1.61 118.70 124.16 1x53 s GLU 107 Ca 0.42 -0.88 0.05 0.00 0.36 0.00 0.00 54.97 54.92 1x53 s GLU 107 Cb -0.18 -1.68 -0.03 0.00 0.26 0.00 0.00 34.13 32.49 1x53 s GLU 107 CO 0.19 -1.00 -0.09 0.20 -0.54 0.00 0.00 175.26 174.02 1x53 s GLY 108 N 1.78 1.73 -0.12 -1.50 0.00 0.72 -0.53 107.32 109.40 1x53 s GLY 108 Ca 0.10 -1.10 -0.04 0.00 0.00 0.00 0.00 44.72 43.68 1x53 s GLY 108 CO -0.29 -0.99 0.11 1.09 0.00 0.00 0.00 173.10 173.02 1x53 s ARG 109 N -1.61 0.03 0.00 2.90 1.70 0.23 -0.29 118.95 121.91 1x53 s ARG 109 Ca 0.18 0.22 0.00 0.00 -0.47 0.00 0.00 55.73 55.66 1x53 s ARG 109 Cb -0.11 -1.04 0.00 0.00 -0.57 0.00 0.00 34.95 33.23 1x53 s ARG 109 CO 0.09 -0.49 0.00 0.41 -1.08 0.00 0.00 175.30 174.23 1x53 n GLY 110 N 5.30 -0.01 3.68 3.88 0.00 -0.72 -2.45 105.19 114.88 1x53 n GLY 110 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.82 4.06 0.01 -0.61 1.09 -0.71 -4.53 121.20 119.69 1x53 s ILE 111 Ca 0.00 1.39 -0.38 0.00 -1.10 0.00 0.00 60.65 60.57 1x53 s ILE 111 Cb 0.00 -3.90 -0.17 0.00 -1.06 0.00 0.00 42.46 37.34 1x53 s ILE 111 CO 0.00 -0.02 1.42 -2.65 -0.10 0.00 0.00 174.94 173.59 1x53 n PRO 112 N 5.44 1.11 -0.29 2.79 -0.02 -1.26 0.11 135.00 142.88 1x53 n PRO 112 Ca 0.12 0.40 0.04 0.00 -2.02 0.00 0.00 63.50 62.04 1x53 n PRO 112 Cb 0.45 -2.05 0.17 0.00 -0.02 0.00 0.00 33.50 32.05 1x53 n PRO 112 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1x53 h ALA 113 N 5.05 1.17 0.00 3.55 0.00 -0.77 1.09 119.26 129.35 1x53 h ALA 113 Ca -0.48 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1x53 h ALA 113 Cb 1.33 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1x53 h ALA 113 CO 0.81 0.04 0.00 -0.35 0.00 0.00 0.00 179.25 179.75 1x53 n PRO 114 N -4.79 0.66 0.00 0.00 -0.04 -1.26 -2.79 135.00 126.79 1x53 n PRO 114 Ca 0.14 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 1x53 n PRO 114 Cb 0.31 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 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 -1.02 3.71 -0.25 0.54 -0.58 0.54 -4.84 120.64 118.74 1x53 n GLU 115 Ca 0.16 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 56.84 1x53 n GLU 115 Cb 0.08 -0.54 -0.06 0.00 -0.57 0.00 0.00 31.44 30.36 1x53 n GLU 115 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1x53 n GLU 116 N -0.82 -0.26 0.01 3.49 2.13 0.35 0.08 120.64 125.60 1x53 n GLU 116 Ca 0.00 1.00 -0.00 0.00 0.66 0.00 0.00 57.16 58.82 1x53 n GLU 116 Cb 0.00 -1.48 -0.00 0.00 0.27 0.00 0.00 31.44 30.23 1x53 n GLU 116 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1x53 h GLU 117 N 0.00 -0.02 -1.18 5.31 4.81 -1.86 -1.46 114.58 120.18 1x53 h GLU 117 Ca 0.10 0.00 0.42 0.00 -0.13 0.00 0.00 59.36 59.75 1x53 h GLU 117 Cb 0.25 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 29.50 1x53 h GLU 117 CO -0.56 -0.01 0.74 -2.13 -0.73 0.00 0.00 179.01 176.31 1x53 n ARG 118 N -2.30 -0.04 0.00 1.92 0.63 -0.62 0.11 116.66 116.36 1x53 n ARG 118 Ca -0.00 1.16 0.00 0.00 -0.92 0.00 0.00 57.85 58.09 1x53 n ARG 118 Cb 0.01 -2.24 0.00 0.00 0.45 0.00 0.00 32.46 30.68 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 -4.63 0.00 0.30 5.15 -1.04 0.11 -1.72 114.28 112.45 1x53 n THR 119 Ca 0.36 1.13 0.16 0.00 -2.04 0.00 0.00 64.05 63.66 1x53 n THR 119 Cb 1.37 -2.10 0.81 0.00 -1.82 0.00 0.00 70.33 68.59 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 -0.05 -2.82 2.43 -0.12 0.26 114.38 114.08 1x53 h ARG 120 Ca 0.00 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 58.96 1x53 h ARG 120 Cb 0.00 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1x53 h ARG 120 CO 0.00 0.00 -0.78 1.96 -1.51 0.00 0.00 179.97 179.64 1x53 h GLN 121 N 0.00 0.62 -0.37 0.20 1.08 -0.28 -3.31 115.11 113.05 1x53 h GLN 121 Ca 0.03 -0.59 -0.13 0.00 -1.45 0.00 0.00 58.65 56.51 1x53 h GLN 121 Cb 0.72 0.15 -0.08 0.00 -0.05 0.00 0.00 27.48 28.23 1x53 h GLN 121 CO -0.00 1.21 0.01 0.41 -0.95 0.00 0.00 178.83 179.51 1x53 n GLY 122 N 0.93 4.48 0.02 3.46 0.00 0.32 -4.43 105.19 109.98 1x53 n GLY 122 Ca -0.10 -1.14 -0.02 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.85 0.17 -0.00 1.61 -0.00 0.65 -4.49 117.44 114.53 1x53 n TRP 123 Ca 0.30 0.08 -0.05 0.00 -0.00 0.00 0.00 57.50 57.83 1x53 n TRP 123 Cb 1.03 -0.31 0.15 0.00 -0.00 0.00 0.00 31.31 32.18 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 0.54 -0.84 5.87 4.20 -1.84 0.91 115.11 123.68 1x53 h GLN 124 Ca 0.00 -0.23 0.24 0.00 0.06 0.00 0.00 58.65 58.72 1x53 h GLN 124 Cb 0.18 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.91 1x53 h GLN 124 CO 0.00 0.79 0.95 0.00 -0.67 0.00 0.00 178.83 179.89 1x53 h ARG 125 N 0.46 0.00 0.00 1.46 2.47 -1.81 0.15 114.38 117.12 1x53 h ARG 125 Ca 0.06 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.75 1x53 h ARG 125 Cb 0.77 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.08 1x53 h ARG 125 CO 0.06 0.00 -1.10 0.66 0.56 0.00 0.00 179.97 180.15 1x53 n TYR 126 N -3.43 0.00 0.17 3.04 4.01 -1.09 -3.27 117.16 116.59 1x53 n TYR 126 Ca 0.18 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.86 1x53 n TYR 126 Cb 1.22 -0.07 -0.03 0.00 -0.31 0.00 0.00 39.34 40.15 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 -0.40 0.00 -0.72 -1.99 -0.08 -3.23 116.97 110.56 1x53 h TYR 127 Ca -0.04 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.68 1x53 h TYR 127 Cb 1.07 0.13 0.00 0.00 2.00 0.00 0.00 36.73 39.93 1x53 h TYR 127 CO 0.00 -0.25 -0.12 1.19 -0.00 0.00 0.00 178.16 178.98 1x53 n PHE 128 N -3.19 0.12 -0.34 4.88 3.72 -0.44 -3.75 117.46 118.45 1x53 n PHE 128 Ca -0.05 0.05 0.29 0.00 -0.05 0.00 0.00 57.45 57.69 1x53 n PHE 128 Cb 0.17 -0.26 0.50 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 -2.74 -0.03 -0.00 -1.08 -0.58 0.41 0.13 120.64 116.75 1x53 n GLU 129 Ca -0.02 0.93 -0.13 0.00 -0.42 0.00 0.00 57.16 57.53 1x53 n GLU 129 Cb 0.06 -1.83 -0.10 0.00 -0.57 0.00 0.00 31.44 29.01 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 -0.06 0.58 0.62 0.00 -1.56 -3.24 103.07 99.41 1x53 h GLY 130 Ca 0.65 0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.99 1x53 h GLY 130 CO -0.35 -0.02 -0.15 -2.22 0.00 0.00 0.00 176.54 173.80 1x53 h ILE 131 N -0.61 0.64 -0.75 2.60 2.04 1.00 0.38 117.51 122.81 1x53 h ILE 131 Ca -0.01 -0.70 0.26 0.00 1.00 0.00 0.00 64.86 65.41 1x53 h ILE 131 Cb 0.55 0.97 -0.14 0.00 -0.74 0.00 0.00 36.82 37.46 1x53 h ILE 131 CO 0.01 0.13 0.21 0.29 0.00 0.00 0.00 178.15 178.78 1x53 n LYS 132 N -5.10 -0.05 -0.10 2.37 5.02 0.61 0.33 118.16 121.23 1x53 n LYS 132 Ca -0.09 1.09 -0.21 0.00 -2.02 0.00 0.00 58.31 57.08 1x53 n LYS 132 Cb 0.27 -1.83 -0.11 0.00 -0.02 0.00 0.00 35.03 33.34 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 -4.88 0.56 0.04 1.97 6.02 -1.21 0.04 117.38 119.92 1x53 n GLN 133 Ca 0.23 0.55 -0.10 0.00 -0.01 0.00 0.00 57.00 57.67 1x53 n GLN 133 Cb 0.77 -1.72 -0.06 0.00 1.02 0.00 0.00 30.24 30.25 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 0.17 -2.72 112.91 116.47 1x53 h THR 134 Ca -0.35 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.81 1x53 h THR 134 Cb 1.26 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1x53 h THR 134 CO -0.21 0.00 -0.36 -0.26 0.37 0.00 0.00 175.52 175.06 1x53 h PHE 135 N -0.42 0.00 -0.14 3.16 -1.00 -0.33 -3.48 116.94 114.73 1x53 h PHE 135 Ca 0.01 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.79 1x53 h PHE 135 Cb 0.45 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.01 1x53 h PHE 135 CO -0.45 0.10 0.00 0.41 -1.61 0.00 0.00 178.31 176.76 1x53 n GLY 136 N 1.15 1.05 1.93 -1.45 0.00 -0.77 -4.97 105.19 102.12 1x53 n GLY 136 Ca 0.02 -0.47 -0.16 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.38 2.34 -4.25 1.61 4.01 0.11 -4.80 117.16 113.80 1x53 n TYR 137 Ca 0.00 -1.44 -0.28 0.00 -0.16 0.00 0.00 57.90 56.01 1x53 n TYR 137 Cb 0.28 -0.76 -0.10 0.00 -0.31 0.00 0.00 39.34 38.46 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 -0.79 1.76 -0.04 2.72 0.00 -0.55 -1.67 107.32 108.76 1x53 s GLY 138 Ca 0.45 -1.34 -0.08 0.00 0.00 0.00 0.00 44.72 43.75 1x53 s GLY 138 CO 0.09 -1.33 -0.16 0.00 0.00 0.00 0.00 173.10 171.70 1x53 n ALA 139 N 0.41 1.88 -2.92 3.20 0.00 -1.26 -4.83 120.51 117.00 1x53 n ALA 139 Ca -0.12 -0.39 -0.11 0.00 0.00 0.00 0.00 53.44 52.82 1x53 n ALA 139 Cb 0.54 0.12 -0.12 0.00 0.00 0.00 0.00 19.45 19.99 1x53 n ALA 139 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1x53 s SER 140 N -5.81 0.28 0.39 0.00 0.01 -1.26 -5.17 113.70 102.14 1x53 s SER 140 Ca -0.13 -0.33 0.04 0.00 1.31 0.00 0.00 55.95 56.84 1x53 s SER 140 Cb 0.02 0.05 -0.03 0.00 0.21 0.00 0.00 66.02 66.27 1x53 s SER 140 CO 0.20 -0.17 0.13 -0.83 0.41 0.00 0.00 173.24 172.97 1x53 s GLY 141 N -0.94 2.49 0.28 3.44 0.00 -1.26 -5.05 107.32 106.27 1x53 s GLY 141 Ca -0.09 -1.40 0.14 0.00 0.00 0.00 0.00 44.72 43.37 1x53 s GLY 141 CO -0.00 -1.80 1.54 -0.56 0.00 0.00 0.00 173.10 172.27 1x53 h PRO 142 N 1.87 0.00 -2.26 2.90 0.13 -2.07 -3.44 132.00 129.13 1x53 h PRO 142 Ca -0.36 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.76 1x53 h PRO 142 Cb 1.27 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.16 1x53 h PRO 142 CO 0.57 0.59 -0.23 -1.12 -0.23 0.00 0.00 178.00 177.58 1x53 s SER 143 N -6.58 -0.71 0.29 1.44 0.01 -1.26 -5.14 113.70 101.75 1x53 s SER 143 Ca 0.01 1.28 -0.26 0.00 1.31 0.00 0.00 55.95 58.29 1x53 s SER 143 Cb 0.10 1.73 -0.15 0.00 0.21 0.00 0.00 66.02 67.91 1x53 s SER 143 CO 0.74 -0.22 0.54 -1.20 0.41 0.00 0.00 173.24 173.51 1x53 n SER 144 N 5.27 -1.01 -0.28 2.44 7.64 -1.26 -5.23 113.62 121.19 1x53 n SER 144 Ca -0.12 1.05 0.03 0.00 1.01 0.00 0.00 58.87 60.85 1x53 n SER 144 Cb 0.50 -1.03 0.03 0.00 -1.01 0.00 0.00 64.21 62.71 1x53 n SER 144 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64