#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 7.35 0.43 1.61 0.01 -1.26 -5.04 113.70 116.80 1x53 s SER 2 Ca 0.00 1.63 -0.16 0.00 1.31 0.00 0.00 55.95 58.72 1x53 s SER 2 Cb 0.00 -2.54 -0.09 0.00 0.21 0.00 0.00 66.02 63.60 1x53 s SER 2 CO 0.00 -0.12 0.88 -0.94 0.41 0.00 0.00 173.24 173.47 1x53 s SER 3 N 0.40 6.72 0.00 2.44 1.04 -1.26 -4.98 113.70 118.06 1x53 s SER 3 Ca 0.46 1.46 0.00 0.00 0.48 0.00 0.00 55.95 58.35 1x53 s SER 3 Cb -0.21 -2.45 0.00 0.00 0.10 0.00 0.00 66.02 63.45 1x53 s SER 3 CO 0.27 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.68 1x53 n GLY 4 N -1.03 -0.93 3.99 7.32 0.00 -1.26 -5.16 105.19 108.13 1x53 n GLY 4 Ca 0.05 0.32 -0.23 0.00 0.00 0.00 0.00 46.02 46.16 1x53 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x53 s SER 5 N 1.60 4.47 -0.07 1.61 1.04 -1.26 -5.10 113.70 115.98 1x53 s SER 5 Ca 0.00 -0.35 -0.04 0.00 0.48 0.00 0.00 55.95 56.04 1x53 s SER 5 Cb 0.00 -0.08 -0.04 0.00 0.10 0.00 0.00 66.02 66.00 1x53 s SER 5 CO 0.00 -1.77 0.10 -0.94 0.98 0.00 0.00 173.24 171.61 1x53 s SER 6 N -4.70 5.95 0.00 7.02 1.04 -1.26 -5.03 113.70 116.72 1x53 s SER 6 Ca 0.65 0.31 0.00 0.00 0.48 0.00 0.00 55.95 57.39 1x53 s SER 6 Cb -0.06 -1.82 0.00 0.00 0.10 0.00 0.00 66.02 64.24 1x53 s SER 6 CO 0.44 0.36 0.00 0.61 0.98 0.00 0.00 173.24 175.62 1x53 n GLY 7 N 1.73 0.95 3.76 7.32 0.00 -1.26 -5.08 105.19 112.62 1x53 n GLY 7 Ca -0.17 -2.17 -0.36 0.00 0.00 0.00 0.00 46.02 43.32 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 -1.00 4.97 0.38 -0.61 1.01 -1.26 -5.10 121.20 119.59 1x53 s ILE 8 Ca 0.00 0.01 -0.24 0.00 0.00 0.00 0.00 60.65 60.43 1x53 s ILE 8 Cb 0.00 -3.17 -0.10 0.00 0.01 0.00 0.00 42.46 39.20 1x53 s ILE 8 CO 0.00 0.57 0.95 -2.16 0.00 0.00 0.00 174.94 174.30 1x53 s PRO 9 N -0.61 4.40 0.28 2.79 0.04 -1.26 -4.98 135.00 135.66 1x53 s PRO 9 Ca 0.12 1.24 0.04 0.00 0.04 0.00 0.00 61.00 62.43 1x53 s PRO 9 Cb -0.12 -2.50 -0.04 0.00 0.04 0.00 0.00 34.50 31.88 1x53 s PRO 9 CO 0.02 0.12 0.20 0.95 0.04 0.00 0.00 177.00 178.33 1x53 s THR 10 N -1.88 0.09 0.28 1.26 -4.23 -1.26 -0.13 115.64 109.78 1x53 s THR 10 Ca 0.56 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.97 1x53 s THR 10 Cb -0.14 -2.50 -0.00 0.00 1.34 0.00 0.00 72.50 71.20 1x53 s THR 10 CO 0.19 0.00 0.48 0.00 -0.54 0.00 0.00 174.62 174.75 1x53 s LYS 12 N -3.64 3.54 -0.59 0.00 2.20 -1.26 -2.15 119.74 117.85 1x53 s LYS 12 Ca 0.25 -0.11 0.04 0.00 -0.36 0.00 0.00 55.97 55.79 1x53 s LYS 12 Cb -0.00 -3.12 0.14 0.00 -1.51 0.00 0.00 37.83 33.34 1x53 s LYS 12 CO 0.12 0.69 0.35 0.42 -0.36 0.00 0.00 175.35 176.57 1x53 s ILE 13 N -1.22 2.66 -0.34 5.43 -1.09 0.78 -4.97 121.20 122.45 1x53 s ILE 13 Ca 0.24 -3.66 -0.15 0.00 -2.23 0.00 0.00 60.65 54.85 1x53 s ILE 13 Cb -0.13 -2.81 -0.01 0.00 -1.58 0.00 0.00 42.46 37.93 1x53 s ILE 13 CO 0.13 -0.88 0.38 -0.89 -1.23 0.00 0.00 174.94 172.45 1x53 s THR 14 N -0.71 5.15 -0.09 2.92 2.01 -1.26 -2.09 115.64 121.58 1x53 s THR 14 Ca 0.20 0.09 0.01 0.00 0.31 0.00 0.00 61.69 62.30 1x53 s THR 14 Cb -0.18 -3.83 0.02 0.00 0.01 0.00 0.00 72.50 68.52 1x53 s THR 14 CO -0.06 -0.10 -0.10 -0.76 -0.69 0.00 0.00 174.62 172.91 1x53 s LEU 15 N 2.05 1.43 -0.41 4.42 1.43 -0.06 -4.99 118.68 122.55 1x53 s LEU 15 Ca 0.12 -0.31 -0.04 0.00 -1.03 0.00 0.00 54.13 52.88 1x53 s LEU 15 Cb -0.16 -0.84 0.11 0.00 0.03 0.00 0.00 46.19 45.32 1x53 s LEU 15 CO 0.12 -0.04 0.21 -0.54 0.23 0.00 0.00 176.35 176.33 1x53 s LYS 16 N 1.19 2.12 0.08 1.70 3.01 -1.26 0.01 119.74 126.58 1x53 s LYS 16 Ca -0.04 -1.76 0.06 0.00 -1.01 0.00 0.00 55.97 53.21 1x53 s LYS 16 Cb -0.14 -3.61 -0.04 0.00 -1.01 0.00 0.00 37.83 33.03 1x53 s LYS 16 CO -0.03 -1.05 -0.07 -2.00 0.51 0.00 0.00 175.35 172.71 1x53 s GLU 17 N 1.19 2.31 -0.16 1.68 2.56 -0.93 -4.98 118.70 120.37 1x53 s GLU 17 Ca 0.07 -0.92 -0.03 0.00 0.00 0.00 0.00 54.97 54.09 1x53 s GLU 17 Cb -0.23 -2.40 -0.02 0.00 2.00 0.00 0.00 34.13 33.48 1x53 s GLU 17 CO -0.03 0.54 -0.06 0.99 -0.56 0.00 0.00 175.26 176.14 1x53 s THR 18 N -1.18 3.66 -0.02 -1.70 2.01 -1.26 -0.59 115.64 116.56 1x53 s THR 18 Ca 0.21 -0.44 0.01 0.00 0.31 0.00 0.00 61.69 61.78 1x53 s THR 18 Cb -0.11 -2.60 -0.04 0.00 0.01 0.00 0.00 72.50 69.76 1x53 s THR 18 CO 0.13 0.49 0.01 -0.36 -0.69 0.00 0.00 174.62 174.20 1x53 s PHE 19 N 0.51 3.11 -0.05 4.92 0.40 0.81 -4.75 117.98 122.93 1x53 s PHE 19 Ca -0.04 0.11 0.00 0.00 -0.60 0.00 0.00 56.93 56.40 1x53 s PHE 19 Cb -0.15 -1.70 0.04 0.00 0.51 0.00 0.00 43.02 41.72 1x53 s PHE 19 CO 0.03 0.47 1.68 1.28 0.70 0.00 0.00 175.22 179.38 1x53 n LEU 20 N 1.55 4.77 -4.19 -0.37 7.99 -0.33 0.13 117.00 126.54 1x53 n LEU 20 Ca -0.15 -2.25 -0.13 0.00 -0.01 0.00 0.00 56.01 53.47 1x53 n LEU 20 Cb 0.53 -0.92 -0.09 0.00 -0.11 0.00 0.00 43.42 42.83 1x53 n LEU 20 CO 0.33 0.87 -0.16 0.28 -1.51 0.00 0.00 177.39 177.20 1x53 s THR 21 N -0.33 0.00 0.47 -5.08 -1.32 -1.13 -4.78 115.64 103.47 1x53 s THR 21 Ca 0.05 -1.92 -0.08 0.00 -1.21 0.00 0.00 61.69 58.52 1x53 s THR 21 Cb 0.04 -2.48 -0.05 0.00 -1.51 0.00 0.00 72.50 68.50 1x53 s THR 21 CO 0.00 0.00 0.82 -0.44 -2.21 0.00 0.00 174.62 172.79 1x53 s SER 22 N -3.18 6.38 0.17 8.08 0.01 -1.26 0.22 113.70 124.11 1x53 s SER 22 Ca 0.37 1.09 -0.21 0.00 1.31 0.00 0.00 55.95 58.51 1x53 s SER 22 Cb 0.05 -2.31 0.09 0.00 0.21 0.00 0.00 66.02 64.05 1x53 s SER 22 CO 0.15 -0.54 1.60 -0.65 0.41 0.00 0.00 173.24 174.21 1x53 h PRO 23 N 0.61 -0.20 -0.12 12.44 0.11 -1.90 -1.84 132.00 141.10 1x53 h PRO 23 Ca -0.47 0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.69 1x53 h PRO 23 Cb 1.20 0.05 -0.06 0.00 0.11 0.00 0.00 31.00 32.29 1x53 h PRO 23 CO 0.63 -0.13 -0.50 1.49 -0.21 0.00 0.00 178.00 179.27 1x53 h GLU 24 N -0.21 -0.55 -0.77 1.05 4.81 -1.94 0.99 114.58 117.96 1x53 h GLU 24 Ca 0.19 0.04 0.18 0.00 -0.13 0.00 0.00 59.36 59.64 1x53 h GLU 24 Cb 0.52 0.12 -0.12 0.00 0.63 0.00 0.00 28.75 29.91 1x53 h GLU 24 CO -0.56 -0.36 0.18 1.49 -0.73 0.00 0.00 179.01 179.02 1x53 h GLU 25 N -0.57 0.24 0.00 1.92 4.57 -1.83 0.92 114.58 119.84 1x53 h GLU 25 Ca 0.05 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1x53 h GLU 25 Cb 0.67 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.21 1x53 h GLU 25 CO -0.42 0.16 0.00 -0.11 -1.18 0.00 0.00 179.01 177.46 1x53 n LEU 26 N -5.18 0.00 0.06 1.64 7.94 -0.49 -3.36 117.00 117.59 1x53 n LEU 26 Ca 0.16 0.47 -0.06 0.00 -1.11 0.00 0.00 56.01 55.48 1x53 n LEU 26 Cb 0.51 -0.47 0.13 0.00 0.53 0.00 0.00 43.42 44.12 1x53 n LEU 26 CO 0.10 -0.00 0.54 0.22 -1.11 0.00 0.00 177.39 177.14 1x53 h TYR 27 N 0.00 0.44 0.10 1.96 3.20 0.87 -3.24 116.97 120.30 1x53 h TYR 27 Ca 0.00 -0.15 -0.22 0.00 3.14 0.00 0.00 58.73 61.51 1x53 h TYR 27 Cb 0.47 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.66 1x53 h TYR 27 CO 0.00 0.80 -1.08 0.00 -1.64 0.00 0.00 178.16 176.24 1x53 h ARG 28 N 0.28 0.20 -1.01 1.82 -0.00 -1.52 -2.69 114.38 111.47 1x53 h ARG 28 Ca 0.01 -0.35 0.29 0.00 -0.50 0.00 0.00 59.98 59.43 1x53 h ARG 28 Cb 1.00 0.13 -0.04 0.00 0.00 0.00 0.00 29.97 31.06 1x53 h ARG 28 CO 0.09 1.17 1.00 0.28 0.00 0.00 0.00 179.97 182.50 1x53 h VAL 29 N -0.48 0.15 0.00 2.04 2.07 -1.61 1.31 116.25 119.73 1x53 h VAL 29 Ca -0.23 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.19 1x53 h VAL 29 Cb 1.59 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 1x53 h VAL 29 CO 0.05 0.00 -1.90 0.49 0.02 0.00 0.00 177.57 176.23 1x53 n PHE 30 N -3.57 0.00 -1.49 1.57 3.01 -1.22 -4.23 117.46 111.53 1x53 n PHE 30 Ca 0.22 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.60 1x53 n PHE 30 Cb 1.32 -0.53 0.18 0.00 -0.01 0.00 0.00 39.48 40.44 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 -2.27 2.62 -3.55 4.37 -2.24 0.33 -4.91 114.28 108.64 1x53 n THR 31 Ca -0.11 -2.86 -0.20 0.00 -2.27 0.00 0.00 64.05 58.61 1x53 n THR 31 Cb 0.64 -0.41 -0.14 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 -3.41 -0.25 0.14 4.28 2.01 0.36 -4.41 115.64 114.36 1x53 s THR 32 Ca 0.46 -0.08 -0.28 0.00 0.31 0.00 0.00 61.69 62.11 1x53 s THR 32 Cb 0.41 -0.61 -0.03 0.00 0.01 0.00 0.00 72.50 72.29 1x53 s THR 32 CO -0.00 -0.19 1.58 -0.61 -0.69 0.00 0.00 174.62 174.71 1x53 h GLN 33 N 8.35 -0.39 -0.19 4.92 4.15 -1.86 -1.01 115.11 129.07 1x53 h GLN 33 Ca -0.16 0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.32 1x53 h GLN 33 Cb 1.15 0.09 -0.06 0.00 0.21 0.00 0.00 27.48 28.87 1x53 h GLN 33 CO 0.27 -0.26 -0.44 1.49 -1.93 0.00 0.00 178.83 177.96 1x53 h GLU 34 N -0.41 -0.39 -1.10 1.69 4.81 -1.90 0.24 114.58 117.52 1x53 h GLU 34 Ca 0.11 0.03 0.31 0.00 -0.13 0.00 0.00 59.36 59.67 1x53 h GLU 34 Cb 0.60 0.09 -0.06 0.00 0.63 0.00 0.00 28.75 30.01 1x53 h GLU 34 CO -0.47 -0.26 0.76 -0.07 -0.73 0.00 0.00 179.01 178.24 1x53 h LEU 35 N -0.41 0.14 -0.11 1.64 3.38 -1.80 0.15 115.31 118.31 1x53 h LEU 35 Ca 0.04 0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 1x53 h LEU 35 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1x53 h LEU 35 CO -0.40 0.03 -0.30 0.58 0.09 0.00 0.00 178.44 178.44 1x53 h VAL 36 N 0.13 1.38 0.00 1.22 2.07 0.70 -2.91 116.25 118.84 1x53 h VAL 36 Ca 0.55 -1.61 0.00 0.00 0.82 0.00 0.00 66.70 66.46 1x53 h VAL 36 Cb 1.94 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 33.84 1x53 h VAL 36 CO -0.10 0.47 0.00 0.00 0.02 0.00 0.00 177.57 177.96 1x53 n GLN 37 N -4.41 0.25 -0.10 1.57 6.02 0.49 -1.53 117.38 119.67 1x53 n GLN 37 Ca -0.07 0.09 -0.21 0.00 -0.01 0.00 0.00 57.00 56.79 1x53 n GLN 37 Cb 0.48 -1.50 -0.11 0.00 1.02 0.00 0.00 30.24 30.13 1x53 n GLN 37 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1x53 n ALA 38 N -1.13 0.78 1.37 -1.58 0.00 -0.90 -2.70 120.51 116.35 1x53 n ALA 38 Ca 0.07 -0.51 0.11 0.00 0.00 0.00 0.00 53.44 53.10 1x53 n ALA 38 Cb 0.06 -0.49 0.42 0.00 0.00 0.00 0.00 19.45 19.43 1x53 n ALA 38 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1x53 n PHE 39 N -4.44 0.16 0.03 0.00 1.16 -1.09 -3.65 117.46 109.64 1x53 n PHE 39 Ca -0.32 -0.08 0.02 0.00 -1.87 0.00 0.00 57.45 55.20 1x53 n PHE 39 Cb 0.67 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.51 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 0.13 0.00 -4.37 1.97 -2.24 -0.58 -4.65 114.28 104.54 1x53 n THR 40 Ca 0.16 -0.14 -0.35 0.00 -2.27 0.00 0.00 64.05 61.45 1x53 n THR 40 Cb 0.29 0.54 -0.09 0.00 -2.10 0.00 0.00 70.33 68.97 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 -1.51 -1.27 -3.53 4.78 8.25 -1.10 -4.75 115.22 116.09 1x53 n HIS 41 Ca -0.00 0.65 -0.17 0.00 -0.26 0.00 0.00 57.72 57.93 1x53 n HIS 41 Cb 0.08 -2.55 -0.06 0.00 1.12 0.00 0.00 29.99 28.57 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 -3.94 -1.78 -0.88 -1.41 0.00 -1.26 -4.94 121.76 107.54 1x53 s ALA 42 Ca 0.31 1.36 -0.19 0.00 0.00 0.00 0.00 51.96 53.44 1x53 s ALA 42 Cb -0.18 -0.09 -0.23 0.00 0.00 0.00 0.00 23.12 22.62 1x53 s ALA 42 CO 1.00 -0.37 2.35 -2.30 0.00 0.00 0.00 175.76 176.44 1x53 n PRO 43 N 0.96 0.28 -4.76 0.00 -0.02 -1.26 -4.58 135.00 125.62 1x53 n PRO 43 Ca -0.18 -0.25 -0.33 0.00 -2.02 0.00 0.00 63.50 60.71 1x53 n PRO 43 Cb 0.57 -2.14 -0.13 0.00 -0.02 0.00 0.00 33.50 31.79 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 7.15 2.76 -0.33 3.55 0.00 -1.26 -3.76 121.76 129.87 1x53 s ALA 44 Ca 1.18 -0.92 0.03 0.00 0.00 0.00 0.00 51.96 52.25 1x53 s ALA 44 Cb -0.63 -1.14 0.10 0.00 0.00 0.00 0.00 23.12 21.45 1x53 s ALA 44 CO 0.38 0.46 0.05 0.99 0.00 0.00 0.00 175.76 177.64 1x53 s THR 45 N -0.41 2.12 -0.07 0.00 2.01 0.31 -4.80 115.64 114.79 1x53 s THR 45 Ca 0.05 -2.22 0.01 0.00 0.31 0.00 0.00 61.69 59.84 1x53 s THR 45 Cb -0.12 -2.56 -0.03 0.00 0.01 0.00 0.00 72.50 69.80 1x53 s THR 45 CO 0.02 -0.59 -0.09 -0.22 -0.69 0.00 0.00 174.62 173.05 1x53 s LEU 46 N 0.99 3.05 -0.34 4.42 0.20 -1.26 0.05 118.68 125.79 1x53 s LEU 46 Ca 0.10 -0.09 0.00 0.00 0.69 0.00 0.00 54.13 54.84 1x53 s LEU 46 Cb -0.19 -1.66 0.11 0.00 -0.43 0.00 0.00 46.19 44.02 1x53 s LEU 46 CO -0.10 0.33 0.12 -1.61 -0.29 0.00 0.00 176.35 174.80 1x53 s GLU 47 N -0.64 0.92 -0.69 1.98 0.41 -0.71 -4.03 118.70 115.94 1x53 s GLU 47 Ca 0.09 -1.36 -0.26 0.00 -0.41 0.00 0.00 54.97 53.04 1x53 s GLU 47 Cb -0.11 -2.21 -0.07 0.00 -1.78 0.00 0.00 34.13 29.96 1x53 s GLU 47 CO 0.02 -1.02 2.19 0.00 -0.49 0.00 0.00 175.26 175.96 1x53 s ALA 48 N 1.28 1.49 -0.26 5.21 0.00 -1.26 -4.26 121.76 123.96 1x53 s ALA 48 Ca 0.11 -0.69 -0.28 0.00 0.00 0.00 0.00 51.96 51.10 1x53 s ALA 48 Cb -0.19 -4.45 0.17 0.00 0.00 0.00 0.00 23.12 18.65 1x53 s ALA 48 CO -0.18 -4.83 1.24 0.34 0.00 0.00 0.00 175.76 172.33 1x53 s ASP 49 N 10.02 -0.18 -0.44 0.00 2.15 -1.26 -5.02 116.67 121.94 1x53 s ASP 49 Ca 0.83 0.26 -0.27 0.00 0.43 0.00 0.00 52.55 53.80 1x53 s ASP 49 Cb -0.13 0.23 -0.07 0.00 -0.30 0.00 0.00 42.92 42.65 1x53 s ASP 49 CO 0.14 -0.12 2.38 0.54 -0.17 0.00 0.00 175.17 177.93 1x53 n ARG 50 N 1.05 1.22 0.00 4.34 1.74 -1.26 -0.13 116.66 123.62 1x53 n ARG 50 Ca -0.07 0.13 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 1x53 n ARG 50 Cb 0.58 -3.29 0.00 0.00 -1.02 0.00 0.00 32.46 28.72 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 5.99 0.57 3.37 -0.13 0.00 0.66 -4.98 105.19 110.67 1x53 n GLY 51 Ca 0.37 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.64 1.45 0.07 -0.02 0.00 0.82 -4.40 107.32 103.60 1x53 s GLY 52 Ca 0.00 -0.71 0.10 0.00 0.00 0.00 0.00 44.72 44.11 1x53 s GLY 52 CO 0.00 0.24 -0.26 0.54 0.00 0.00 0.00 173.10 173.61 1x53 s LYS 53 N -5.00 1.68 -0.13 2.90 3.01 -1.26 -0.88 119.74 120.05 1x53 s LYS 53 Ca 0.69 -1.16 -0.01 0.00 -1.01 0.00 0.00 55.97 54.48 1x53 s LYS 53 Cb -0.15 -1.93 0.03 0.00 -1.01 0.00 0.00 37.83 34.78 1x53 s LYS 53 CO 0.59 0.49 -0.06 -0.59 0.51 0.00 0.00 175.35 176.29 1x53 s PHE 54 N -0.87 1.49 -0.07 3.18 -0.12 -1.22 -1.74 117.98 118.63 1x53 s PHE 54 Ca 0.12 -0.83 0.04 0.00 -0.05 0.00 0.00 56.93 56.21 1x53 s PHE 54 Cb -0.10 -1.23 -0.00 0.00 -0.63 0.00 0.00 43.02 41.06 1x53 s PHE 54 CO 0.03 -0.54 -0.21 -1.58 -0.05 0.00 0.00 175.22 172.87 1x53 s HIS 55 N 1.71 2.18 0.17 3.49 2.46 0.11 -2.61 115.29 122.79 1x53 s HIS 55 Ca 0.03 -0.76 -0.10 0.00 0.47 0.00 0.00 55.06 54.71 1x53 s HIS 55 Cb -0.14 -1.46 -0.01 0.00 -0.13 0.00 0.00 32.58 30.84 1x53 s HIS 55 CO -0.08 -0.28 0.30 0.00 -2.47 0.00 0.00 174.74 172.21 1x53 s MET 56 N 0.17 1.18 -0.31 2.88 0.23 -0.73 0.12 119.30 122.83 1x53 s MET 56 Ca -0.11 -1.15 -0.01 0.00 -1.03 0.00 0.00 55.69 53.40 1x53 s MET 56 Cb -0.15 0.39 -0.01 0.00 -1.53 0.00 0.00 34.83 33.53 1x53 s MET 56 CO 0.05 -0.44 0.27 0.28 -2.03 0.00 0.00 175.02 173.15 1x53 n VAL 57 N -0.23 -2.45 -4.00 5.16 0.31 -1.26 -2.07 118.33 113.79 1x53 n VAL 57 Ca -0.07 -0.26 -0.32 0.00 -0.01 0.00 0.00 64.34 63.68 1x53 n VAL 57 Cb 0.63 -3.58 0.01 0.00 -0.91 0.00 0.00 33.84 29.99 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 -1.78 -4.30 -2.80 4.52 -0.08 -1.26 -1.97 116.55 108.88 1x53 n ASP 58 Ca -0.05 -0.85 -0.12 0.00 -1.51 0.00 0.00 54.79 52.26 1x53 n ASP 58 Cb 0.54 -3.56 0.06 0.00 2.34 0.00 0.00 41.12 40.51 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 -1.61 -0.34 0.00 0.27 0.00 -1.24 -4.96 105.19 97.31 1x53 n GLY 59 Ca 0.04 0.11 -0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.66 4.74 -3.93 1.61 3.02 -0.83 -4.79 115.26 112.42 1x53 n ASN 60 Ca -0.15 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.11 1x53 n ASN 60 Cb 0.61 0.72 -0.16 0.00 -0.61 0.00 0.00 39.78 40.34 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 -2.04 1.28 0.41 2.41 1.01 -0.88 0.17 120.40 122.76 1x53 s VAL 61 Ca -0.00 -0.68 0.05 0.00 0.00 0.00 0.00 61.98 61.34 1x53 s VAL 61 Cb 0.00 -1.38 -0.06 0.00 0.00 0.00 0.00 36.38 34.94 1x53 s VAL 61 CO 0.04 0.20 0.03 -0.94 0.00 0.00 0.00 175.10 174.44 1x53 s SER 62 N 1.57 3.51 0.00 3.32 1.04 -1.17 -1.77 113.70 120.19 1x53 s SER 62 Ca 0.01 -1.45 0.00 0.00 0.48 0.00 0.00 55.95 54.99 1x53 s SER 62 Cb -0.15 -0.07 0.00 0.00 0.10 0.00 0.00 66.02 65.90 1x53 s SER 62 CO -0.08 -0.61 0.00 0.61 0.98 0.00 0.00 173.24 174.14 1x53 n GLY 63 N -0.96 0.84 3.28 7.32 0.00 -1.07 -3.08 105.19 111.52 1x53 n GLY 63 Ca -0.07 -0.68 -0.12 0.00 0.00 0.00 0.00 46.02 45.14 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 0.00 0.44 -0.23 1.61 -1.05 -1.25 -3.39 118.70 114.83 1x53 s GLU 64 Ca 0.00 0.62 -0.29 0.00 -0.15 0.00 0.00 54.97 55.15 1x53 s GLU 64 Cb 0.00 0.15 0.00 0.00 -0.44 0.00 0.00 34.13 33.85 1x53 s GLU 64 CO 0.00 -0.09 1.13 -0.06 0.95 0.00 0.00 175.26 177.19 1x53 s PHE 65 N 0.55 3.13 -0.24 4.83 0.40 -0.06 -1.47 117.98 125.12 1x53 s PHE 65 Ca -0.03 1.26 0.05 0.00 -0.60 0.00 0.00 56.93 57.61 1x53 s PHE 65 Cb -0.04 -3.44 -0.18 0.00 0.51 0.00 0.00 43.02 39.87 1x53 s PHE 65 CO -0.03 -0.95 -0.17 0.25 0.70 0.00 0.00 175.22 175.02 1x53 n THR 66 N 5.48 1.42 -3.96 0.64 -2.24 0.13 0.24 114.28 115.98 1x53 n THR 66 Ca 0.13 -0.60 -0.12 0.00 -2.27 0.00 0.00 64.05 61.19 1x53 n THR 66 Cb 0.46 -1.23 -0.13 0.00 -2.10 0.00 0.00 70.33 67.33 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 -6.24 0.23 -0.18 3.42 -1.08 -0.62 -4.75 116.67 107.44 1x53 s ASP 67 Ca -0.29 -0.19 -0.04 0.00 -0.52 0.00 0.00 52.55 51.51 1x53 s ASP 67 Cb 0.08 0.02 0.08 0.00 -1.46 0.00 0.00 42.92 41.64 1x53 s ASP 67 CO 0.62 -0.08 0.19 -0.76 0.52 0.00 0.00 175.17 175.65 1x53 s LEU 68 N -0.52 -0.01 -0.06 -1.34 1.43 -1.26 -1.34 118.68 115.58 1x53 s LEU 68 Ca -0.05 -0.24 0.02 0.00 -1.03 0.00 0.00 54.13 52.84 1x53 s LEU 68 Cb -0.04 0.23 -0.03 0.00 0.03 0.00 0.00 46.19 46.39 1x53 s LEU 68 CO -0.00 -0.32 -0.12 -0.69 0.23 0.00 0.00 176.35 175.45 1x53 s VAL 69 N 2.28 3.24 -0.35 -1.59 1.01 -0.71 -5.04 120.40 119.25 1x53 s VAL 69 Ca 0.05 -0.65 -0.39 0.00 0.00 0.00 0.00 61.98 61.00 1x53 s VAL 69 Cb -0.15 -2.29 -0.14 0.00 0.00 0.00 0.00 36.38 33.79 1x53 s VAL 69 CO -0.11 0.59 2.01 -2.65 0.00 0.00 0.00 175.10 174.94 1x53 n PRO 70 N 2.39 0.94 -3.17 2.72 -0.02 -1.26 -2.25 135.00 134.35 1x53 n PRO 70 Ca -0.17 0.30 -0.13 0.00 -2.02 0.00 0.00 63.50 61.47 1x53 n PRO 70 Cb 0.52 -2.17 -0.04 0.00 -0.02 0.00 0.00 33.50 31.80 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 6.98 -0.96 0.07 -0.52 1.02 -1.26 -4.64 120.64 121.33 1x53 n GLU 71 Ca 0.38 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.56 1x53 n GLU 71 Cb 0.15 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 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 -2.39 0.00 -3.57 3.49 4.76 -0.95 -4.80 118.16 114.70 1x53 n LYS 72 Ca -0.11 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.26 1x53 n LYS 72 Cb 0.27 -0.32 -0.02 0.00 -1.84 0.00 0.00 35.03 33.12 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 -0.31 -0.04 2.13 -3.43 -1.24 -1.71 115.29 108.69 1x53 s HIS 73 Ca 0.00 0.11 -0.01 0.00 -0.80 0.00 0.00 55.06 54.35 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 -0.69 0.08 0.42 -2.00 0.00 0.00 174.74 172.55 1x53 s ILE 74 N -3.29 -0.07 -0.18 -5.38 1.01 0.20 -1.74 121.20 111.76 1x53 s ILE 74 Ca 0.07 0.23 -0.01 0.00 0.00 0.00 0.00 60.65 60.94 1x53 s ILE 74 Cb -0.01 -0.15 0.00 0.00 0.01 0.00 0.00 42.46 42.30 1x53 s ILE 74 CO -0.06 0.09 -0.14 -0.69 0.00 0.00 0.00 174.94 174.15 1x53 s VAL 75 N 1.25 2.70 0.28 2.92 1.01 -0.45 -0.14 120.40 127.97 1x53 s VAL 75 Ca -0.08 -0.74 -0.10 0.00 0.00 0.00 0.00 61.98 61.06 1x53 s VAL 75 Cb -0.12 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 34.09 1x53 s VAL 75 CO -0.04 0.50 0.50 0.00 0.00 0.00 0.00 175.10 176.06 1x53 s MET 76 N 1.09 1.70 0.22 2.72 0.23 -0.35 0.17 119.30 125.07 1x53 s MET 76 Ca -0.00 -1.40 -0.07 0.00 -1.03 0.00 0.00 55.69 53.20 1x53 s MET 76 Cb -0.14 0.48 -0.06 0.00 -1.53 0.00 0.00 34.83 33.57 1x53 s MET 76 CO -0.04 -0.72 0.50 0.15 -2.03 0.00 0.00 175.02 172.88 1x53 s LYS 77 N -3.62 3.70 -0.00 3.16 1.02 -0.54 -0.46 119.74 122.99 1x53 s LYS 77 Ca 0.24 0.09 0.02 0.00 0.02 0.00 0.00 55.97 56.34 1x53 s LYS 77 Cb -0.01 -2.71 -0.00 0.00 -0.52 0.00 0.00 37.83 34.59 1x53 s LYS 77 CO 0.12 0.34 -0.05 -0.46 -0.92 0.00 0.00 175.35 174.38 1x53 s TRP 78 N -1.84 0.46 0.03 3.18 -0.00 0.19 -3.81 118.94 117.16 1x53 s TRP 78 Ca 0.45 -0.09 -0.28 0.00 -0.00 0.00 0.00 56.10 56.17 1x53 s TRP 78 Cb -0.11 -0.30 0.10 0.00 -0.00 0.00 0.00 33.47 33.16 1x53 s TRP 78 CO 0.24 -0.01 1.07 -0.98 -0.00 0.00 0.00 176.95 177.28 1x53 s ARG 79 N -0.10 0.78 0.30 5.86 1.70 -1.18 0.60 118.95 126.92 1x53 s ARG 79 Ca 0.02 -0.40 0.06 0.00 -0.47 0.00 0.00 55.73 54.94 1x53 s ARG 79 Cb -0.02 0.29 -0.02 0.00 -0.57 0.00 0.00 34.95 34.63 1x53 s ARG 79 CO -0.00 -0.36 0.38 -0.06 -1.08 0.00 0.00 175.30 174.19 1x53 s PHE 80 N -2.90 3.16 -1.71 5.89 0.08 -1.26 -3.03 117.98 118.21 1x53 s PHE 80 Ca 0.11 -0.18 0.22 0.00 0.12 0.00 0.00 56.93 57.21 1x53 s PHE 80 Cb 0.01 -1.80 1.22 0.00 -0.57 0.00 0.00 43.02 41.88 1x53 s PHE 80 CO -0.02 0.19 1.71 1.17 -0.10 0.00 0.00 175.22 178.16 1x53 n LYS 81 N -1.49 0.50 -0.00 0.44 0.00 0.45 -2.47 118.16 115.59 1x53 n LYS 81 Ca -0.03 0.04 0.03 0.00 0.00 0.00 0.00 58.31 58.35 1x53 n LYS 81 Cb 0.58 -1.50 -0.04 0.00 0.00 0.00 0.00 35.03 34.07 1x53 n LYS 81 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1x53 n SER 82 N -1.15 1.37 -4.59 3.14 2.88 -1.26 -5.04 113.62 108.96 1x53 n SER 82 Ca 0.14 -0.43 -0.33 0.00 -1.33 0.00 0.00 58.87 56.91 1x53 n SER 82 Cb 0.13 1.09 0.13 0.00 -0.75 0.00 0.00 64.21 64.81 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 -1.33 0.27 -0.77 0.66 7.02 -1.03 -4.94 117.44 117.32 1x53 n TRP 83 Ca 0.00 0.36 -0.33 0.00 -1.02 0.00 0.00 57.50 56.51 1x53 n TRP 83 Cb 0.12 -1.98 0.13 0.00 -2.42 0.00 0.00 31.31 27.16 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 -2.89 -0.78 -2.43 -0.99 -0.02 -1.26 -4.89 135.00 121.74 1x53 n PRO 84 Ca 0.11 -0.20 -0.42 0.00 -2.02 0.00 0.00 63.50 60.97 1x53 n PRO 84 Cb 0.52 -1.69 -0.03 0.00 -0.02 0.00 0.00 33.50 32.28 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 -3.36 4.40 -0.99 -0.52 2.12 -1.26 -3.38 118.70 115.71 1x53 s GLU 85 Ca 0.54 1.74 -0.05 0.00 0.36 0.00 0.00 54.97 57.57 1x53 s GLU 85 Cb -0.16 -3.44 0.01 0.00 0.26 0.00 0.00 34.13 30.80 1x53 s GLU 85 CO 0.68 -0.34 0.85 0.41 -0.54 0.00 0.00 175.26 176.32 1x53 n GLY 86 N 3.29 -0.17 2.72 -1.50 0.00 -1.26 -5.01 105.19 103.26 1x53 n GLY 86 Ca 0.10 0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.25 1.59 0.40 1.61 5.04 -1.22 -5.12 115.29 114.34 1x53 s HIS 87 Ca 0.31 -1.65 0.07 0.00 -1.54 0.00 0.00 55.06 52.25 1x53 s HIS 87 Cb -0.14 -1.64 -0.07 0.00 0.04 0.00 0.00 32.58 30.77 1x53 s HIS 87 CO 0.55 -0.87 0.04 -0.06 -2.34 0.00 0.00 174.74 172.06 1x53 s PHE 88 N 1.66 2.53 -0.06 3.88 0.40 -1.26 -4.75 117.98 120.38 1x53 s PHE 88 Ca 0.09 -0.63 0.06 0.00 -0.60 0.00 0.00 56.93 55.85 1x53 s PHE 88 Cb -0.17 -1.78 -0.01 0.00 0.51 0.00 0.00 43.02 41.58 1x53 s PHE 88 CO -0.26 0.40 -0.24 0.00 0.70 0.00 0.00 175.22 175.83 1x53 s ALA 89 N -2.67 2.09 -0.42 5.36 0.00 0.20 -4.82 121.76 121.50 1x53 s ALA 89 Ca 0.36 -0.99 -0.28 0.00 0.00 0.00 0.00 51.96 51.04 1x53 s ALA 89 Cb 0.08 -0.67 0.02 0.00 0.00 0.00 0.00 23.12 22.55 1x53 s ALA 89 CO 0.19 0.38 1.08 0.99 0.00 0.00 0.00 175.76 178.40 1x53 s THR 90 N -0.06 4.35 -0.07 0.00 2.01 -1.12 0.55 115.64 121.30 1x53 s THR 90 Ca -0.06 1.32 0.02 0.00 0.31 0.00 0.00 61.69 63.28 1x53 s THR 90 Cb -0.14 -4.51 -0.03 0.00 0.01 0.00 0.00 72.50 67.83 1x53 s THR 90 CO 0.04 -0.80 -0.10 -0.63 -0.69 0.00 0.00 174.62 172.44 1x53 s ILE 91 N 4.07 3.39 -0.31 1.82 1.09 0.40 -0.82 121.20 130.83 1x53 s ILE 91 Ca 0.45 -0.59 -0.01 0.00 -1.10 0.00 0.00 60.65 59.41 1x53 s ILE 91 Cb -0.09 -2.37 0.10 0.00 -1.06 0.00 0.00 42.46 39.03 1x53 s ILE 91 CO 0.25 0.58 0.09 -0.89 -0.10 0.00 0.00 174.94 174.88 1x53 s THR 92 N -0.62 0.97 0.35 2.92 2.01 -0.37 -1.21 115.64 119.69 1x53 s THR 92 Ca 0.09 -1.44 -0.13 0.00 0.31 0.00 0.00 61.69 60.52 1x53 s THR 92 Cb -0.11 -1.72 -0.08 0.00 0.01 0.00 0.00 72.50 70.60 1x53 s THR 92 CO 0.01 -0.65 0.74 -0.76 -0.69 0.00 0.00 174.62 173.27 1x53 s LEU 93 N 1.57 3.97 -0.02 4.42 1.43 0.80 -2.69 118.68 128.17 1x53 s LEU 93 Ca 0.09 1.21 -0.01 0.00 -1.03 0.00 0.00 54.13 54.39 1x53 s LEU 93 Cb -0.17 -4.04 0.02 0.00 0.03 0.00 0.00 46.19 42.02 1x53 s LEU 93 CO -0.24 -0.28 0.03 -0.89 0.23 0.00 0.00 176.35 175.21 1x53 s THR 94 N -2.13 -0.03 -0.24 5.49 2.01 -1.21 -0.63 115.64 118.91 1x53 s THR 94 Ca 0.53 0.10 -0.08 0.00 0.31 0.00 0.00 61.69 62.55 1x53 s THR 94 Cb -0.10 -0.07 -0.03 0.00 0.01 0.00 0.00 72.50 72.30 1x53 s THR 94 CO 0.23 0.04 0.08 -0.36 -0.69 0.00 0.00 174.62 173.92 1x53 s PHE 95 N 0.53 3.12 0.02 4.92 0.40 -0.69 -2.23 117.98 124.04 1x53 s PHE 95 Ca -0.04 -0.28 0.04 0.00 -0.60 0.00 0.00 56.93 56.05 1x53 s PHE 95 Cb -0.06 -2.21 -0.03 0.00 0.51 0.00 0.00 43.02 41.22 1x53 s PHE 95 CO -0.02 -0.24 -0.08 0.42 0.70 0.00 0.00 175.22 176.00 1x53 s ILE 96 N 1.37 3.51 -0.19 0.64 1.01 -1.12 -4.73 121.20 121.68 1x53 s ILE 96 Ca 0.05 -0.86 -0.15 0.00 0.00 0.00 0.00 60.65 59.69 1x53 s ILE 96 Cb -0.15 -2.53 -0.04 0.00 0.01 0.00 0.00 42.46 39.76 1x53 s ILE 96 CO 0.04 0.37 0.37 -0.62 0.00 0.00 0.00 174.94 175.10 1x53 s ASP 97 N -1.47 6.43 -0.03 3.58 -1.08 -1.26 -2.62 116.67 120.21 1x53 s ASP 97 Ca 0.17 0.50 0.05 0.00 -0.52 0.00 0.00 52.55 52.75 1x53 s ASP 97 Cb -0.11 -2.22 0.07 0.00 -1.46 0.00 0.00 42.92 39.20 1x53 s ASP 97 CO 0.08 -0.04 0.99 0.29 0.52 0.00 0.00 175.17 177.00 1x53 n LYS 98 N 4.31 2.17 -2.73 4.34 4.76 -0.74 -4.99 118.16 125.27 1x53 n LYS 98 Ca -0.09 -1.64 -0.08 0.00 -2.87 0.00 0.00 58.31 53.62 1x53 n LYS 98 Cb 0.51 -1.05 0.04 0.00 -1.84 0.00 0.00 35.03 32.69 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 -0.66 -2.52 0.00 4.39 5.15 -1.26 -4.39 115.26 115.98 1x53 n ASN 99 Ca 0.04 -0.27 0.00 0.00 -0.60 0.00 0.00 54.58 53.75 1x53 n ASN 99 Cb 0.39 -2.57 0.00 0.00 -0.53 0.00 0.00 39.78 37.07 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 -1.09 2.79 3.25 8.20 0.00 -1.26 -5.12 105.19 111.95 1x53 n GLY 100 Ca -0.10 -0.32 -0.25 0.00 0.00 0.00 0.00 46.02 45.36 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 1.31 -0.20 1.61 2.02 -1.25 -2.85 118.70 119.34 1x53 s GLU 101 Ca 0.00 -0.95 -0.05 0.00 0.02 0.00 0.00 54.97 53.99 1x53 s GLU 101 Cb 0.00 -1.43 -0.02 0.00 0.10 0.00 0.00 34.13 32.78 1x53 s GLU 101 CO 0.00 0.36 -0.01 0.99 0.02 0.00 0.00 175.26 176.62 1x53 s THR 102 N -0.85 3.79 -0.54 3.63 2.01 0.13 -1.80 115.64 122.02 1x53 s THR 102 Ca 0.07 -0.37 -0.21 0.00 0.31 0.00 0.00 61.69 61.49 1x53 s THR 102 Cb -0.09 -2.71 0.06 0.00 0.01 0.00 0.00 72.50 69.77 1x53 s THR 102 CO 0.02 0.43 0.74 -0.70 -0.69 0.00 0.00 174.62 174.42 1x53 s GLU 103 N 1.09 3.17 -0.52 4.92 2.12 -1.08 -0.13 118.70 128.27 1x53 s GLU 103 Ca 0.02 -0.75 -0.24 0.00 0.36 0.00 0.00 54.97 54.36 1x53 s GLU 103 Cb -0.14 -4.11 0.04 0.00 0.26 0.00 0.00 34.13 30.17 1x53 s GLU 103 CO 0.01 -1.37 0.90 -1.17 -0.54 0.00 0.00 175.26 173.09 1x53 s LEU 104 N 3.11 4.15 -0.78 2.70 2.96 0.25 -2.77 118.68 128.28 1x53 s LEU 104 Ca 0.19 -0.26 -0.18 0.00 -0.22 0.00 0.00 54.13 53.67 1x53 s LEU 104 Cb -0.18 -2.90 0.14 0.00 0.50 0.00 0.00 46.19 43.75 1x53 s LEU 104 CO 0.13 -1.13 0.90 0.00 -1.32 0.00 0.00 176.35 174.93 1x53 s MET 106 N 2.20 4.36 -0.34 0.00 1.75 0.10 -3.30 119.30 124.07 1x53 s MET 106 Ca 0.22 1.44 0.00 0.00 -1.25 0.00 0.00 55.69 56.10 1x53 s MET 106 Cb -0.13 -3.58 0.11 0.00 2.84 0.00 0.00 34.83 34.07 1x53 s MET 106 CO -0.03 -0.43 0.12 -2.00 -0.65 0.00 0.00 175.02 172.03 1x53 s GLU 107 N 2.41 0.90 -0.03 4.11 2.12 -1.10 -0.88 118.70 126.23 1x53 s GLU 107 Ca 0.49 -1.34 0.02 0.00 0.36 0.00 0.00 54.97 54.49 1x53 s GLU 107 Cb -0.19 -2.17 -0.03 0.00 0.26 0.00 0.00 34.13 32.00 1x53 s GLU 107 CO 0.16 -1.02 -0.05 0.20 -0.54 0.00 0.00 175.26 174.00 1x53 s GLY 108 N 1.29 1.76 -0.14 -1.50 0.00 -0.89 -1.24 107.32 106.60 1x53 s GLY 108 Ca 0.12 -0.95 -0.04 0.00 0.00 0.00 0.00 44.72 43.85 1x53 s GLY 108 CO -0.18 -0.77 0.08 1.09 0.00 0.00 0.00 173.10 173.32 1x53 s ARG 109 N -1.17 0.09 0.00 2.90 3.03 0.00 -0.16 118.95 123.64 1x53 s ARG 109 Ca 0.15 0.01 0.00 0.00 2.03 0.00 0.00 55.73 57.92 1x53 s ARG 109 Cb -0.11 -1.52 0.00 0.00 -1.03 0.00 0.00 34.95 32.29 1x53 s ARG 109 CO 0.05 -0.58 0.00 0.41 -1.13 0.00 0.00 175.30 174.05 1x53 n GLY 110 N 5.26 -0.50 3.66 3.88 0.00 -1.08 -2.79 105.19 113.62 1x53 n GLY 110 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 1x53 n GLY 110 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x53 s ILE 111 N -0.47 3.67 -0.10 -0.61 1.09 -0.91 -4.64 121.20 119.23 1x53 s ILE 111 Ca 0.00 0.81 -0.39 0.00 -1.10 0.00 0.00 60.65 59.98 1x53 s ILE 111 Cb 0.00 -3.53 -0.16 0.00 -1.06 0.00 0.00 42.46 37.70 1x53 s ILE 111 CO 0.00 -0.08 1.54 -2.65 -0.10 0.00 0.00 174.94 173.65 1x53 n PRO 112 N 7.10 1.13 -0.22 2.79 -0.02 -1.26 0.73 135.00 145.25 1x53 n PRO 112 Ca 0.17 0.41 0.02 0.00 -2.02 0.00 0.00 63.50 62.08 1x53 n PRO 112 Cb 0.43 -2.07 0.13 0.00 -0.02 0.00 0.00 33.50 31.97 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 5.86 0.73 -0.76 3.55 0.00 -0.77 0.50 119.26 128.38 1x53 h ALA 113 Ca -0.47 0.17 0.13 0.00 0.00 0.00 0.00 54.91 54.74 1x53 h ALA 113 Cb 1.33 0.27 -0.05 0.00 0.00 0.00 0.00 17.79 19.34 1x53 h ALA 113 CO 0.87 -0.36 0.50 -1.35 0.00 0.00 0.00 179.25 178.91 1x53 h PRO 114 N 0.19 0.49 -0.30 0.00 0.11 -1.89 -0.55 132.00 130.06 1x53 h PRO 114 Ca 0.35 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.43 1x53 h PRO 114 Cb 0.57 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.57 1x53 h PRO 114 CO -0.50 0.33 0.00 0.39 -0.21 0.00 0.00 178.00 178.01 1x53 n GLU 115 N -4.49 3.06 -0.03 1.05 -0.58 0.05 -4.65 120.64 115.05 1x53 n GLU 115 Ca 0.14 -2.77 -0.10 0.00 -0.42 0.00 0.00 57.16 54.01 1x53 n GLU 115 Cb 0.47 -1.80 -0.04 0.00 -0.57 0.00 0.00 31.44 29.50 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 2.02 0.23 0.51 3.49 4.81 0.16 -1.69 114.58 124.10 1x53 h GLU 116 Ca 0.00 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 1x53 h GLU 116 Cb 1.39 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.72 1x53 h GLU 116 CO 0.21 0.16 -0.24 1.49 -0.73 0.00 0.00 179.01 179.89 1x53 h GLU 117 N 0.24 -0.66 -0.98 1.92 4.57 -1.83 -2.75 114.58 115.09 1x53 h GLU 117 Ca 0.06 0.04 0.17 0.00 -1.18 0.00 0.00 59.36 58.46 1x53 h GLU 117 Cb -0.03 0.15 -0.17 0.00 -0.16 0.00 0.00 28.75 28.54 1x53 h GLU 117 CO -0.01 -0.44 -0.34 -0.09 -1.18 0.00 0.00 179.01 176.95 1x53 h ARG 118 N -0.96 -0.01 0.02 1.92 2.43 -1.87 0.23 114.38 116.14 1x53 h ARG 118 Ca -0.07 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1x53 h ARG 118 Cb 0.52 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1x53 h ARG 118 CO 0.11 -0.00 -0.02 1.15 -1.51 0.00 0.00 179.97 179.70 1x53 h THR 119 N -0.01 0.00 0.00 0.20 2.02 -1.36 0.48 112.91 114.25 1x53 h THR 119 Ca 0.39 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.57 1x53 h THR 119 Cb 0.64 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 1x53 h THR 119 CO -0.99 0.00 0.50 -0.09 0.37 0.00 0.00 175.52 175.31 1x53 h ARG 120 N -0.04 0.00 0.09 6.66 2.43 -1.05 0.77 114.38 123.25 1x53 h ARG 120 Ca -0.00 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 58.86 1x53 h ARG 120 Cb 0.04 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 1x53 h ARG 120 CO -0.01 0.00 -1.60 1.96 -1.51 0.00 0.00 179.97 178.82 1x53 h GLN 121 N 0.00 0.20 -0.30 0.20 1.08 0.79 -3.36 115.11 113.72 1x53 h GLN 121 Ca 0.00 -0.34 -0.06 0.00 -1.45 0.00 0.00 58.65 56.80 1x53 h GLN 121 Cb 1.00 0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 28.52 1x53 h GLN 121 CO 0.00 1.02 0.00 0.41 -0.95 0.00 0.00 178.83 179.31 1x53 n GLY 122 N 1.68 4.27 0.02 3.46 0.00 0.21 -4.40 105.19 110.43 1x53 n GLY 122 Ca -0.18 -1.09 -0.02 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.69 0.12 0.18 1.61 -0.00 0.18 -4.52 117.44 114.33 1x53 n TRP 123 Ca 0.25 0.05 0.02 0.00 -0.00 0.00 0.00 57.50 57.83 1x53 n TRP 123 Cb 0.95 -0.26 0.36 0.00 -0.00 0.00 0.00 31.31 32.36 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 0.04 -1.28 5.87 4.20 -1.82 -0.08 115.11 121.77 1x53 h GLN 124 Ca 0.00 -0.02 0.37 0.00 0.06 0.00 0.00 58.65 59.06 1x53 h GLN 124 Cb 0.21 -0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.93 1x53 h GLN 124 CO 0.00 0.37 0.91 0.00 -0.67 0.00 0.00 178.83 179.44 1x53 h ARG 125 N 0.04 0.04 0.00 1.46 3.08 -1.80 0.30 114.38 117.50 1x53 h ARG 125 Ca 0.00 -0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 1x53 h ARG 125 Cb 0.61 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 1x53 h ARG 125 CO 0.04 0.03 -1.46 0.66 -1.07 0.00 0.00 179.97 178.17 1x53 n TYR 126 N -4.21 0.00 0.17 3.04 4.01 -1.07 -3.25 117.16 115.85 1x53 n TYR 126 Ca 0.28 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.96 1x53 n TYR 126 Cb 1.32 -0.32 -0.03 0.00 -0.31 0.00 0.00 39.34 40.00 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 -0.50 -3.26 116.97 110.11 1x53 h TYR 127 Ca -0.18 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.54 1x53 h TYR 127 Cb 1.33 0.13 0.00 0.00 2.00 0.00 0.00 36.73 40.19 1x53 h TYR 127 CO 0.01 -0.25 -0.26 1.19 -0.00 0.00 0.00 178.16 178.85 1x53 n PHE 128 N -3.24 0.24 -0.36 4.88 3.72 -0.31 -3.68 117.46 118.69 1x53 n PHE 128 Ca -0.05 0.10 0.30 0.00 -0.05 0.00 0.00 57.45 57.75 1x53 n PHE 128 Cb 0.17 -0.36 0.49 0.00 -0.94 0.00 0.00 39.48 38.84 1x53 n PHE 128 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1x53 n GLU 129 N -3.19 -0.02 0.01 -1.08 1.02 0.91 -0.36 120.64 117.93 1x53 n GLU 129 Ca -0.04 0.83 -0.01 0.00 -0.02 0.00 0.00 57.16 57.93 1x53 n GLU 129 Cb 0.13 -1.70 -0.00 0.00 -0.02 0.00 0.00 31.44 29.85 1x53 n GLU 129 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1x53 h GLY 130 N 0.00 -0.04 -0.19 0.62 0.00 -1.58 -3.25 103.07 98.63 1x53 h GLY 130 Ca 0.61 0.01 0.21 0.00 0.00 0.00 0.00 47.33 48.17 1x53 h GLY 130 CO -0.24 -0.01 0.35 -2.22 0.00 0.00 0.00 176.54 174.41 1x53 h ILE 131 N -0.13 0.48 -0.59 2.60 2.04 -1.06 0.70 117.51 121.54 1x53 h ILE 131 Ca -0.00 -0.13 0.17 0.00 1.00 0.00 0.00 64.86 65.90 1x53 h ILE 131 Cb 0.03 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.15 1x53 h ILE 131 CO 0.01 0.07 0.49 0.11 0.00 0.00 0.00 178.15 178.82 1x53 h LYS 132 N 0.37 0.00 0.00 2.37 1.57 -0.84 0.27 116.57 120.31 1x53 h LYS 132 Ca 0.54 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 59.14 1x53 h LYS 132 Cb 1.00 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.29 1x53 h LYS 132 CO -0.53 0.00 -1.50 1.04 -0.57 0.00 0.00 179.45 177.89 1x53 n GLN 133 N -4.07 0.54 0.14 3.15 1.13 0.20 -1.92 117.38 116.56 1x53 n GLN 133 Ca 0.11 0.28 -0.14 0.00 -1.94 0.00 0.00 57.00 55.31 1x53 n GLN 133 Cb 0.72 -1.50 -0.07 0.00 0.11 0.00 0.00 30.24 29.50 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 0.21 0.00 5.09 2.02 -0.26 -2.74 112.91 116.23 1x53 h THR 134 Ca -0.26 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 66.86 1x53 h THR 134 Cb 1.18 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 1x53 h THR 134 CO -0.16 0.00 -0.60 -0.26 0.37 0.00 0.00 175.52 174.87 1x53 h PHE 135 N -0.66 0.00 -0.37 3.16 -1.00 -0.70 -3.48 116.94 113.89 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 0.66 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.22 1x53 h PHE 135 CO -0.31 0.22 0.00 0.41 -1.61 0.00 0.00 178.31 177.02 1x53 n GLY 136 N 1.20 0.71 1.87 -1.45 0.00 -0.61 -4.96 105.19 101.95 1x53 n GLY 136 Ca 0.00 -0.73 -0.12 0.00 0.00 0.00 0.00 46.02 45.17 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 -3.12 2.22 -4.23 1.61 4.01 -0.81 -4.81 117.16 112.03 1x53 n TYR 137 Ca 0.00 -1.29 -0.26 0.00 -0.16 0.00 0.00 57.90 56.19 1x53 n TYR 137 Cb 0.45 -0.70 -0.08 0.00 -0.31 0.00 0.00 39.34 38.71 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 -0.76 1.70 -0.09 2.72 0.00 -0.95 -1.19 107.32 108.76 1x53 s GLY 138 Ca 0.44 -1.43 -0.03 0.00 0.00 0.00 0.00 44.72 43.70 1x53 s GLY 138 CO 0.10 -1.46 -0.10 0.00 0.00 0.00 0.00 173.10 171.64 1x53 n ALA 139 N -0.29 2.22 -3.47 3.20 0.00 -1.26 -4.83 120.51 116.07 1x53 n ALA 139 Ca -0.09 -0.35 -0.11 0.00 0.00 0.00 0.00 53.44 52.89 1x53 n ALA 139 Cb 0.56 0.36 -0.03 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 -5.42 -0.49 0.17 0.00 1.04 -1.26 -5.19 113.70 102.55 1x53 s SER 140 Ca -0.12 0.11 0.01 0.00 0.48 0.00 0.00 55.95 56.43 1x53 s SER 140 Cb 0.04 0.49 -0.05 0.00 0.10 0.00 0.00 66.02 66.61 1x53 s SER 140 CO 0.17 -0.75 0.02 -0.83 0.98 0.00 0.00 173.24 172.82 1x53 s GLY 141 N -2.37 1.20 -0.14 7.32 0.00 -1.26 -5.13 107.32 106.95 1x53 s GLY 141 Ca 0.01 -1.58 -0.29 0.00 0.00 0.00 0.00 44.72 42.86 1x53 s GLY 141 CO -0.08 -1.50 1.15 2.56 0.00 0.00 0.00 173.10 175.23 1x53 s PRO 142 N -3.94 4.30 -0.75 2.90 0.04 -1.26 -4.92 135.00 131.37 1x53 s PRO 142 Ca 0.24 1.55 -0.27 0.00 0.04 0.00 0.00 61.00 62.56 1x53 s PRO 142 Cb 0.06 -3.65 -0.15 0.00 0.04 0.00 0.00 34.50 30.81 1x53 s PRO 142 CO 0.04 -0.56 2.52 0.45 0.04 0.00 0.00 177.00 179.49 1x53 n SER 143 N 5.92 1.23 -4.19 6.66 2.88 -1.26 -4.87 113.62 119.99 1x53 n SER 143 Ca 0.12 -0.29 -0.40 0.00 -1.33 0.00 0.00 58.87 56.96 1x53 n SER 143 Cb 0.46 -1.26 -0.09 0.00 -0.75 0.00 0.00 64.21 62.58 1x53 n SER 143 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x53 s SER 144 N 10.15 5.64 0.00 -3.46 0.15 -1.26 -5.38 113.70 119.55 1x53 s SER 144 Ca 1.15 -2.06 0.00 0.00 0.70 0.00 0.00 55.95 55.75 1x53 s SER 144 Cb -0.66 -1.98 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 1x53 s SER 144 CO 0.36 -0.64 0.00 0.61 1.20 0.00 0.00 173.24 174.77