#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mtl s VAL 2 N 0.00 4.20 0.29 3.17 1.01 -1.26 -4.97 120.40 122.84 1mtl s VAL 2 Ca 0.00 1.71 -0.18 0.00 0.00 0.00 0.00 61.98 63.51 1mtl s VAL 2 Cb 0.00 -3.90 -0.09 0.00 0.00 0.00 0.00 36.38 32.39 1mtl s VAL 2 CO 0.00 0.04 0.76 -1.61 0.00 0.00 0.00 175.10 174.28 1mtl s GLU 3 N -2.32 4.15 0.78 2.72 0.41 -1.26 -5.03 118.70 118.15 1mtl s GLU 3 Ca 0.53 0.82 -0.13 0.00 -0.41 0.00 0.00 54.97 55.78 1mtl s GLU 3 Cb -0.17 -2.62 0.07 0.00 -1.78 0.00 0.00 34.13 29.62 1mtl s GLU 3 CO 0.22 0.25 1.17 -0.51 -0.49 0.00 0.00 175.26 175.90 1mtl s ASP 4 N -1.97 3.96 -0.43 -0.19 -0.00 -1.26 -4.96 116.67 111.82 1mtl s ASP 4 Ca 0.50 2.23 0.02 0.00 -0.00 0.00 0.00 52.55 55.30 1mtl s ASP 4 Cb -0.13 -2.57 0.14 0.00 -0.00 0.00 0.00 42.92 40.36 1mtl s ASP 4 CO 0.19 -2.41 0.26 -0.63 -0.00 0.00 0.00 175.17 172.57 1mtl s ILE 5 N -2.28 1.06 0.19 0.77 1.01 -0.74 -5.02 121.20 116.19 1mtl s ILE 5 Ca 0.70 -2.45 0.03 0.00 0.00 0.00 0.00 60.65 58.93 1mtl s ILE 5 Cb -0.26 -1.74 -0.05 0.00 0.01 0.00 0.00 42.46 40.42 1mtl s ILE 5 CO 0.49 -0.96 -0.01 -0.76 0.00 0.00 0.00 174.94 173.71 1mtl s LEU 6 N 0.41 2.17 -0.09 2.97 1.43 -1.26 -0.99 118.68 123.31 1mtl s LEU 6 Ca 0.20 -1.18 -0.31 0.00 -1.03 0.00 0.00 54.13 51.81 1mtl s LEU 6 Cb -0.20 -0.14 0.11 0.00 0.03 0.00 0.00 46.19 45.99 1mtl s LEU 6 CO -0.02 -0.53 1.38 0.00 0.23 0.00 0.00 176.35 177.41 1mtl s ALA 7 N -3.56 -2.69 0.48 4.21 0.00 -1.26 -5.09 121.76 113.86 1mtl s ALA 7 Ca 0.25 0.38 -0.06 0.00 0.00 0.00 0.00 51.96 52.53 1mtl s ALA 7 Cb 0.06 0.75 -0.04 0.00 0.00 0.00 0.00 23.12 23.89 1mtl s ALA 7 CO 0.05 -1.15 0.79 -2.14 0.00 0.00 0.00 175.76 173.32 1mtl s PRO 8 N -2.02 3.55 -0.00 0.00 0.02 -1.26 -4.15 135.00 131.14 1mtl s PRO 8 Ca 0.27 0.23 0.00 0.00 0.02 0.00 0.00 61.00 61.52 1mtl s PRO 8 Cb 0.02 -2.36 0.00 0.00 0.02 0.00 0.00 34.50 32.18 1mtl s PRO 8 CO -0.04 -0.21 0.00 0.41 -0.33 0.00 0.00 177.00 176.83 1mtl n GLY 9 N -2.25 0.32 3.75 0.52 0.00 -1.26 -4.99 105.19 101.29 1mtl n GLY 9 Ca 0.01 -0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 1mtl n GLY 9 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mtl s LEU 10 N -0.00 3.52 -0.09 0.99 1.43 -1.26 -4.91 118.68 118.36 1mtl s LEU 10 Ca 0.00 2.24 -0.06 0.00 -1.03 0.00 0.00 54.13 55.27 1mtl s LEU 10 Cb 0.00 -4.58 -0.27 0.00 0.03 0.00 0.00 46.19 41.37 1mtl s LEU 10 CO 0.00 -1.70 0.50 0.03 0.23 0.00 0.00 176.35 175.42 1mtl h ARG 11 N 0.43 0.29 -3.37 1.70 3.08 -1.26 -2.11 114.38 113.13 1mtl h ARG 11 Ca -0.49 -0.49 -0.18 0.00 0.07 0.00 0.00 59.98 58.89 1mtl h ARG 11 Cb 1.28 0.18 -0.26 0.00 0.08 0.00 0.00 29.97 31.25 1mtl h ARG 11 CO 0.54 1.19 -0.53 0.08 -1.07 0.00 0.00 179.97 180.18 1mtl s VAL 12 N -2.57 0.01 -0.22 2.04 1.01 -1.20 -1.88 120.40 117.58 1mtl s VAL 12 Ca -0.19 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 61.73 1mtl s VAL 12 Cb 0.06 -0.25 0.04 0.00 0.00 0.00 0.00 36.38 36.23 1mtl s VAL 12 CO 0.80 -0.05 -0.15 -0.69 0.00 0.00 0.00 175.10 175.01 1mtl s VAL 13 N -0.09 2.15 -0.19 2.92 1.01 -0.62 0.15 120.40 125.73 1mtl s VAL 13 Ca -0.02 -1.26 -0.24 0.00 0.00 0.00 0.00 61.98 60.47 1mtl s VAL 13 Cb -0.02 -2.08 -0.02 0.00 0.00 0.00 0.00 36.38 34.26 1mtl s VAL 13 CO 0.00 0.27 0.76 -0.36 0.00 0.00 0.00 175.10 175.77 1mtl s PHE 14 N 1.21 3.38 -0.29 5.22 0.40 0.26 -1.51 117.98 126.64 1mtl s PHE 14 Ca -0.02 1.12 -0.07 0.00 -0.60 0.00 0.00 56.93 57.37 1mtl s PHE 14 Cb -0.16 -2.95 0.00 0.00 0.51 0.00 0.00 43.02 40.42 1mtl s PHE 14 CO -0.09 -0.25 0.09 0.00 0.70 0.00 0.00 175.22 175.66 1mtl s GLY 16 N 1.52 1.63 0.00 0.00 0.00 0.23 -1.56 107.32 109.14 1mtl s GLY 16 Ca 0.03 -0.69 0.00 0.00 0.00 0.00 0.00 44.72 44.06 1mtl s GLY 16 CO 0.03 -0.34 0.00 1.39 0.00 0.00 0.00 173.10 174.18 1mtl n ILE 17 N -2.83 0.00 -2.43 0.90 2.08 -1.26 -0.02 119.36 115.80 1mtl n ILE 17 Ca 0.06 0.04 -0.34 0.00 0.56 0.00 0.00 62.75 63.07 1mtl n ILE 17 Cb 0.59 -0.13 -0.02 0.00 -0.75 0.00 0.00 39.64 39.32 1mtl n ILE 17 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1mtl s ASN 18 N -1.10 6.17 0.00 4.38 4.22 -1.26 -3.21 114.94 124.14 1mtl s ASN 18 Ca 0.00 1.94 0.01 0.00 -2.14 0.00 0.00 52.86 52.68 1mtl s ASN 18 Cb 0.00 -2.56 0.08 0.00 1.28 0.00 0.00 41.25 40.05 1mtl s ASN 18 CO 0.00 -0.90 0.41 -2.65 -2.04 0.00 0.00 177.10 171.92 1mtl n PRO 19 N -1.18 0.07 -3.37 3.55 -0.02 -1.25 -4.81 135.00 128.00 1mtl n PRO 19 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1mtl n PRO 19 Cb 0.52 -1.30 0.00 0.00 -0.02 0.00 0.00 33.50 32.70 1mtl n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1mtl n GLY 20 N -0.69 -1.66 0.00 -1.23 0.00 -1.26 -4.32 105.19 96.03 1mtl n GLY 20 Ca 0.01 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.94 1mtl n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1mtl n LEU 21 N 0.00 0.00 0.00 0.99 7.99 -1.26 -4.86 117.00 119.86 1mtl n LEU 21 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 1mtl n LEU 21 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1mtl n LEU 21 CO 0.00 0.00 0.00 -0.24 -1.51 0.00 0.00 177.39 175.64 1mtl n SER 22 N 0.00 0.00 -3.31 -1.43 2.88 -1.26 -4.78 113.62 105.72 1mtl n SER 22 Ca 0.00 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.16 1mtl n SER 22 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1mtl n SER 22 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1mtl n SER 23 N 0.00 8.49 0.00 -3.46 3.41 -1.26 0.93 113.62 121.73 1mtl n SER 23 Ca 0.00 -2.71 0.00 0.00 -0.26 0.00 0.00 58.87 55.90 1mtl n SER 23 Cb 0.00 -1.50 0.00 0.00 -0.26 0.00 0.00 64.21 62.45 1mtl n SER 23 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1mtl n ALA 24 N 3.08 0.00 -1.71 7.33 0.00 -1.16 -3.55 120.51 124.50 1mtl n ALA 24 Ca 0.74 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.81 1mtl n ALA 24 Cb 0.26 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.76 1mtl n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mtl n GLY 25 N 0.00 5.70 0.00 0.00 0.00 0.26 -3.05 105.19 108.10 1mtl n GLY 25 Ca 0.00 -2.43 0.00 0.00 0.00 0.00 0.00 46.02 43.59 1mtl n GLY 25 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1mtl n THR 26 N -0.69 0.00 -0.10 2.61 -2.24 -1.25 -4.91 114.28 107.70 1mtl n THR 26 Ca 0.57 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.35 1mtl n THR 26 Cb 0.43 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 1mtl n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mtl n GLY 27 N 0.00 1.30 3.41 3.38 0.00 -1.17 -5.02 105.19 107.09 1mtl n GLY 27 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1mtl n GLY 27 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mtl s PHE 28 N -2.59 2.86 0.43 1.61 2.99 -1.26 -4.51 117.98 117.51 1mtl s PHE 28 Ca 0.00 -0.54 -0.26 0.00 0.00 0.00 0.00 56.93 56.13 1mtl s PHE 28 Cb 0.00 -1.86 -0.09 0.00 0.00 0.00 0.00 43.02 41.07 1mtl s PHE 28 CO 0.00 -0.15 1.39 -1.25 -0.00 0.00 0.00 175.22 175.21 1mtl s PRO 29 N 0.30 3.82 -1.36 0.24 0.04 -1.26 -2.87 135.00 133.90 1mtl s PRO 29 Ca -0.08 2.34 -0.00 0.00 0.04 0.00 0.00 61.00 63.30 1mtl s PRO 29 Cb -0.15 -2.72 0.00 0.00 0.04 0.00 0.00 34.50 31.67 1mtl s PRO 29 CO 0.05 -0.68 0.56 1.19 0.04 0.00 0.00 177.00 178.16 1mtl n PHE 30 N -0.03 -1.78 0.45 0.56 3.01 -1.23 -4.78 117.46 113.66 1mtl n PHE 30 Ca 0.04 0.79 0.11 0.00 1.01 0.00 0.00 57.45 59.41 1mtl n PHE 30 Cb 0.42 -4.07 0.01 0.00 -0.01 0.00 0.00 39.48 35.83 1mtl n PHE 30 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1mtl n ALA 31 N -4.34 3.21 -1.69 4.37 0.00 -1.14 -4.78 120.51 116.14 1mtl n ALA 31 Ca -0.30 -0.38 -0.44 0.00 0.00 0.00 0.00 53.44 52.31 1mtl n ALA 31 Cb 0.68 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 19.12 1mtl n ALA 31 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1mtl n HIS 32 N -2.10 2.46 0.31 0.00 -0.00 -1.26 -4.79 115.22 109.84 1mtl n HIS 32 Ca 0.01 0.21 0.15 0.00 -0.00 0.00 0.00 57.72 58.10 1mtl n HIS 32 Cb 0.46 -2.58 0.79 0.00 -0.00 0.00 0.00 29.99 28.66 1mtl n HIS 32 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1mtl h PRO 33 N 5.90 0.00 -0.50 1.57 0.13 -1.97 -1.51 132.00 135.62 1mtl h PRO 33 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1mtl h PRO 33 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1mtl h PRO 33 CO 0.89 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.66 1mtl n ALA 34 N -1.93 2.42 -2.71 -0.56 0.00 -1.26 -4.91 120.51 111.57 1mtl n ALA 34 Ca -0.01 -0.93 -0.38 0.00 0.00 0.00 0.00 53.44 52.12 1mtl n ALA 34 Cb 0.43 -0.96 -0.06 0.00 0.00 0.00 0.00 19.45 18.85 1mtl n ALA 34 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1mtl s ASN 35 N -1.10 6.58 -0.04 0.00 3.84 -0.57 -2.15 114.94 121.50 1mtl s ASN 35 Ca 0.37 0.69 0.12 0.00 0.21 0.00 0.00 52.86 54.25 1mtl s ASN 35 Cb 0.19 -2.26 0.41 0.00 -0.55 0.00 0.00 41.25 39.05 1mtl s ASN 35 CO 0.26 -0.01 1.30 0.54 -2.79 0.00 0.00 177.10 176.39 1mtl n ARG 36 N 3.89 2.36 0.17 0.43 1.74 -0.81 -4.56 116.66 119.87 1mtl n ARG 36 Ca -0.08 -1.64 -0.16 0.00 -0.77 0.00 0.00 57.85 55.20 1mtl n ARG 36 Cb 0.51 -1.51 -0.09 0.00 -1.02 0.00 0.00 32.46 30.36 1mtl n ARG 36 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1mtl h PHE 37 N 2.48 -1.37 -0.41 -1.55 3.57 -1.91 0.30 116.94 118.04 1mtl h PHE 37 Ca 0.00 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.60 1mtl h PHE 37 Cb 0.80 0.56 -0.06 0.00 2.79 0.00 0.00 35.95 40.04 1mtl h PHE 37 CO 0.39 -0.58 0.03 -1.49 -2.23 0.00 0.00 178.31 174.43 1mtl h TRP 38 N -0.78 0.03 -0.39 0.41 4.06 -1.90 0.85 115.95 118.23 1mtl h TRP 38 Ca -0.03 0.03 -0.01 0.00 2.06 0.00 0.00 58.89 60.94 1mtl h TRP 38 Cb 0.74 0.05 -0.02 0.00 -1.00 0.00 0.00 29.16 28.93 1mtl h TRP 38 CO -0.37 -0.05 0.19 -0.22 -3.56 0.00 0.00 178.44 174.44 1mtl h LYS 39 N 0.14 0.56 -0.14 0.49 3.64 -1.80 -2.22 116.57 117.23 1mtl h LYS 39 Ca 0.20 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1mtl h LYS 39 Cb 0.28 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1mtl h LYS 39 CO -0.31 0.48 0.08 0.28 -2.27 0.00 0.00 179.45 177.71 1mtl h VAL 40 N 0.50 1.08 -0.34 2.00 2.07 0.55 -0.12 116.25 121.99 1mtl h VAL 40 Ca 0.14 -0.22 -0.05 0.00 0.82 0.00 0.00 66.70 67.38 1mtl h VAL 40 Cb 0.10 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1mtl h VAL 40 CO -0.02 0.08 -0.02 0.16 0.02 0.00 0.00 177.57 177.79 1mtl h ILE 41 N 0.15 1.20 0.34 4.57 3.07 -0.80 0.62 117.51 126.66 1mtl h ILE 41 Ca 0.05 -0.83 -0.02 0.00 1.55 0.00 0.00 64.86 65.62 1mtl h ILE 41 Cb 0.05 0.97 0.00 0.00 -0.27 0.00 0.00 36.82 37.57 1mtl h ILE 41 CO -0.01 0.28 -0.16 0.22 -1.05 0.00 0.00 178.15 177.43 1mtl h TYR 42 N 0.51 -0.42 -0.51 0.16 3.20 -1.17 -0.86 116.97 117.86 1mtl h TYR 42 Ca 0.11 -0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.12 1mtl h TYR 42 Cb 0.36 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.75 1mtl h TYR 42 CO 0.01 -0.26 0.49 1.96 -1.64 0.00 0.00 178.16 178.72 1mtl h GLN 43 N -0.50 0.00 0.00 1.82 4.20 -0.78 0.80 115.11 120.66 1mtl h GLN 43 Ca -0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1mtl h GLN 43 Cb 0.35 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.13 1mtl h GLN 43 CO 0.08 0.00 -0.17 0.00 -0.67 0.00 0.00 178.83 178.07 1mtl n ALA 44 N -2.42 2.73 -0.24 3.87 0.00 0.22 -4.94 120.51 119.72 1mtl n ALA 44 Ca 0.10 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1mtl n ALA 44 Cb 0.70 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.80 1mtl n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mtl n GLY 45 N 1.49 0.87 0.18 0.00 0.00 0.28 -4.47 105.19 103.55 1mtl n GLY 45 Ca 0.06 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.16 1mtl n GLY 45 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1mtl h PHE 46 N 0.00 0.00 -4.19 1.61 -1.00 -1.36 -3.46 116.94 108.54 1mtl h PHE 46 Ca 0.00 0.00 -0.23 0.00 2.81 0.00 0.00 57.97 60.55 1mtl h PHE 46 Cb 0.00 0.00 -0.15 0.00 3.61 0.00 0.00 35.95 39.41 1mtl h PHE 46 CO 0.00 0.00 -0.65 0.95 -1.61 0.00 0.00 178.31 177.00 1mtl s THR 47 N -3.21 0.30 -1.85 -1.55 -4.23 -1.24 -4.90 115.64 98.96 1mtl s THR 47 Ca 0.07 -1.94 0.23 0.00 -1.18 0.00 0.00 61.69 58.87 1mtl s THR 47 Cb 0.07 -2.11 0.04 0.00 1.34 0.00 0.00 72.50 71.84 1mtl s THR 47 CO 0.68 -0.43 1.20 -0.90 -0.54 0.00 0.00 174.62 174.63 1mtl n ASP 48 N -0.17 1.65 -3.83 3.99 3.85 -1.26 -4.65 116.55 116.13 1mtl n ASP 48 Ca -0.05 -1.28 -0.09 0.00 -0.71 0.00 0.00 54.79 52.65 1mtl n ASP 48 Cb 0.64 0.43 -0.05 0.00 -1.35 0.00 0.00 41.12 40.79 1mtl n ASP 48 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1mtl s ARG 49 N -2.55 1.34 -0.57 0.11 1.70 -1.26 -5.10 118.95 112.63 1mtl s ARG 49 Ca 0.19 -0.99 -0.26 0.00 -0.47 0.00 0.00 55.73 54.19 1mtl s ARG 49 Cb 0.18 0.48 0.03 0.00 -0.57 0.00 0.00 34.95 35.07 1mtl s ARG 49 CO 0.59 -0.55 1.08 -1.14 -1.08 0.00 0.00 175.30 174.20 1mtl s GLN 50 N -3.91 3.43 1.09 3.89 0.74 -1.26 -4.69 119.66 118.94 1mtl s GLN 50 Ca 0.13 0.02 -0.12 0.00 0.05 0.00 0.00 55.36 55.43 1mtl s GLN 50 Cb 0.00 -4.03 0.24 0.00 1.10 0.00 0.00 33.01 30.32 1mtl s GLN 50 CO -0.01 -1.59 1.06 -0.51 -0.55 0.00 0.00 175.29 173.69 1mtl s LEU 51 N 4.49 1.23 0.15 3.68 1.43 -1.26 -5.03 118.68 123.37 1mtl s LEU 51 Ca 0.37 1.42 0.08 0.00 -1.03 0.00 0.00 54.13 54.97 1mtl s LEU 51 Cb -0.10 -3.47 -0.04 0.00 0.03 0.00 0.00 46.19 42.62 1mtl s LEU 51 CO 0.23 -3.73 -0.08 -0.54 0.23 0.00 0.00 176.35 172.46 1mtl s LYS 52 N -4.67 2.16 0.30 1.70 1.02 -1.26 -4.85 119.74 114.14 1mtl s LYS 52 Ca 0.67 -1.15 0.06 0.00 0.02 0.00 0.00 55.97 55.56 1mtl s LYS 52 Cb -0.22 -2.25 0.76 0.00 -0.52 0.00 0.00 37.83 35.60 1mtl s LYS 52 CO 0.62 0.46 1.73 -1.35 -0.92 0.00 0.00 175.35 175.88 1mtl h PRO 53 N 3.10 0.52 -0.01 -1.68 0.11 -1.86 0.95 132.00 133.13 1mtl h PRO 53 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1mtl h PRO 53 Cb 1.19 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1mtl h PRO 53 CO 0.54 0.35 0.01 1.96 -0.21 0.00 0.00 178.00 180.65 1mtl h GLN 54 N 0.54 0.00 -0.62 1.05 7.50 -1.94 0.12 115.11 121.75 1mtl h GLN 54 Ca 0.58 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.73 1mtl h GLN 54 Cb 1.05 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.58 1mtl h GLN 54 CO -0.47 0.00 0.00 0.39 -1.50 0.00 0.00 178.83 177.25 1mtl n GLU 55 N -3.48 4.49 -0.33 1.46 1.02 0.33 -4.60 120.64 119.53 1mtl n GLU 55 Ca -0.03 -2.85 0.14 0.00 -0.02 0.00 0.00 57.16 54.40 1mtl n GLU 55 Cb 0.09 -2.18 0.32 0.00 -0.02 0.00 0.00 31.44 29.65 1mtl n GLU 55 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1mtl h ALA 56 N 3.84 1.60 -0.01 0.62 0.00 -0.92 0.28 119.26 124.68 1mtl h ALA 56 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1mtl h ALA 56 Cb 1.82 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.61 1mtl h ALA 56 CO 0.44 -0.18 0.01 1.96 0.00 0.00 0.00 179.25 181.47 1mtl h GLN 57 N 0.61 0.00 0.00 0.00 1.08 -1.85 -0.59 115.11 114.36 1mtl h GLN 57 Ca 0.58 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.78 1mtl h GLN 57 Cb 1.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.43 1mtl h GLN 57 CO -0.44 0.00 0.00 1.25 -0.95 0.00 0.00 178.83 178.69 1mtl h HIS 58 N 0.00 0.00 -0.53 2.96 2.76 -1.29 -1.92 115.15 117.12 1mtl h HIS 58 Ca 0.00 0.00 0.13 0.00 -2.20 0.00 0.00 60.37 58.30 1mtl h HIS 58 Cb 0.02 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 28.96 1mtl h HIS 58 CO 0.00 0.00 0.37 -0.07 -1.30 0.00 0.00 177.93 176.93 1mtl h LEU 59 N 0.00 0.14 -1.02 0.26 3.38 -1.24 0.72 115.31 117.55 1mtl h LEU 59 Ca 0.00 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1mtl h LEU 59 Cb 0.06 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1mtl h LEU 59 CO 0.00 0.08 0.56 -0.07 0.09 0.00 0.00 178.44 179.10 1mtl h LEU 60 N 0.15 1.09 -2.71 1.67 3.38 -1.34 0.16 115.31 117.71 1mtl h LEU 60 Ca 0.25 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1mtl h LEU 60 Cb 0.79 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1mtl h LEU 60 CO -0.04 0.83 0.08 0.44 0.09 0.00 0.00 178.44 179.84 1mtl h ASP 61 N 1.25 0.00 -0.46 -0.43 3.32 -1.04 1.09 116.42 120.15 1mtl h ASP 61 Ca 0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.38 1mtl h ASP 61 Cb -0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.48 1mtl h ASP 61 CO -0.06 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.24 1mtl n TYR 62 N -3.15 1.06 -3.63 4.55 4.02 0.40 -4.95 117.16 115.46 1mtl n TYR 62 Ca -0.03 -0.65 -0.21 0.00 -0.01 0.00 0.00 57.90 57.00 1mtl n TYR 62 Cb 0.15 -0.21 0.05 0.00 -0.02 0.00 0.00 39.34 39.31 1mtl n TYR 62 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1mtl n ARG 63 N 0.50 -5.65 -4.18 -0.72 1.74 0.38 -4.82 116.66 103.90 1mtl n ARG 63 Ca 0.21 0.70 -0.18 0.00 -0.77 0.00 0.00 57.85 57.80 1mtl n ARG 63 Cb 0.77 -5.45 -0.12 0.00 -1.02 0.00 0.00 32.46 26.64 1mtl n ARG 63 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1mtl s GLY 65 N -1.67 1.04 -0.00 0.00 0.00 0.12 -3.33 107.32 103.49 1mtl s GLY 65 Ca -0.02 -1.49 0.02 0.00 0.00 0.00 0.00 44.72 43.23 1mtl s GLY 65 CO 0.02 -1.52 -0.07 0.14 0.00 0.00 0.00 173.10 171.67 1mtl s VAL 66 N -3.57 0.57 0.18 1.40 1.01 -0.16 0.90 120.40 120.73 1mtl s VAL 66 Ca 0.18 -0.35 -0.05 0.00 0.00 0.00 0.00 61.98 61.77 1mtl s VAL 66 Cb 0.05 -0.49 0.02 0.00 0.00 0.00 0.00 36.38 35.96 1mtl s VAL 66 CO 0.00 0.13 0.32 1.07 0.00 0.00 0.00 175.10 176.63 1mtl n THR 67 N 2.83 0.00 -3.91 3.92 5.66 0.73 -1.80 114.28 121.71 1mtl n THR 67 Ca -0.14 -0.62 -0.11 0.00 -3.05 0.00 0.00 64.05 60.14 1mtl n THR 67 Cb 0.57 0.49 -0.11 0.00 -1.55 0.00 0.00 70.33 69.73 1mtl n THR 67 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 1mtl s LYS 68 N -2.17 0.32 0.00 1.09 -2.85 -1.26 0.74 119.74 115.60 1mtl s LYS 68 Ca 0.10 -0.37 0.07 0.00 -1.00 0.00 0.00 55.97 54.78 1mtl s LYS 68 Cb -0.02 0.13 0.24 0.00 -2.06 0.00 0.00 37.83 36.12 1mtl s LYS 68 CO 0.07 -0.06 1.19 1.47 0.10 0.00 0.00 175.35 178.12 1mtl n LEU 69 N 1.89 1.00 -3.85 2.77 -0.00 0.97 -4.82 117.00 114.96 1mtl n LEU 69 Ca -0.21 -0.49 -0.13 0.00 -0.00 0.00 0.00 56.01 55.19 1mtl n LEU 69 Cb 0.56 -0.12 -0.14 0.00 -0.00 0.00 0.00 43.42 43.72 1mtl n LEU 69 CO 0.21 0.25 -0.36 -0.69 -0.00 0.00 0.00 177.39 176.80 1mtl s VAL 70 N -1.76 -0.01 -0.45 1.47 1.01 -1.20 -3.74 120.40 115.72 1mtl s VAL 70 Ca 0.14 0.05 0.08 0.00 0.00 0.00 0.00 61.98 62.25 1mtl s VAL 70 Cb 0.07 -0.03 0.26 0.00 0.00 0.00 0.00 36.38 36.69 1mtl s VAL 70 CO 0.10 0.02 0.61 -0.90 0.00 0.00 0.00 175.10 174.93 1mtl n ASP 71 N 3.32 1.22 0.00 3.32 5.75 -1.26 -3.82 116.55 125.08 1mtl n ASP 71 Ca -0.15 -2.93 0.00 0.00 -0.01 0.00 0.00 54.79 51.69 1mtl n ASP 71 Cb 0.58 -0.64 0.00 0.00 -1.03 0.00 0.00 41.12 40.03 1mtl n ASP 71 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1mtl n ARG 72 N 1.12 0.00 -1.45 0.11 3.00 -1.26 -5.12 116.66 113.06 1mtl n ARG 72 Ca 0.24 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 58.08 1mtl n ARG 72 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.97 1mtl n ARG 72 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 1mtl n PRO 73 N -0.83 -0.53 0.00 5.56 -0.02 -1.26 -5.03 135.00 132.88 1mtl n PRO 73 Ca 0.00 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1mtl n PRO 73 Cb 0.00 -0.88 0.00 0.00 -0.02 0.00 0.00 33.50 32.60 1mtl n PRO 73 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1mtl n ASN 78 N 0.21 0.00 -2.73 2.55 6.94 -1.26 -4.79 115.26 116.19 1mtl n ASN 78 Ca 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 54.58 54.52 1mtl n ASN 78 Cb 0.00 0.00 0.04 0.00 -2.36 0.00 0.00 39.78 37.46 1mtl n ASN 78 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1mtl n GLU 79 N 0.00 -1.53 0.00 -3.83 1.02 -1.26 -5.05 120.64 109.99 1mtl n GLU 79 Ca 0.00 -0.24 0.00 0.00 -0.02 0.00 0.00 57.16 56.90 1mtl n GLU 79 Cb 0.00 -0.24 0.00 0.00 -0.02 0.00 0.00 31.44 31.18 1mtl n GLU 79 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 1mtl n VAL 80 N -2.95 0.00 -4.35 2.62 3.14 -1.26 -5.08 118.33 110.46 1mtl n VAL 80 Ca 0.02 0.00 -0.24 0.00 -2.96 0.00 0.00 64.34 61.16 1mtl n VAL 80 Cb 0.08 0.00 -0.09 0.00 -1.06 0.00 0.00 33.84 32.78 1mtl n VAL 80 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1mtl s SER 81 N 0.00 4.19 0.00 6.55 0.15 -1.26 -4.94 113.70 118.40 1mtl s SER 81 Ca 0.00 -0.74 0.00 0.00 0.70 0.00 0.00 55.95 55.91 1mtl s SER 81 Cb 0.00 -0.65 0.00 0.00 -1.71 0.00 0.00 66.02 63.66 1mtl s SER 81 CO 0.00 0.04 0.00 0.29 1.20 0.00 0.00 173.24 174.77 1mtl n LYS 82 N -0.60 0.00 -0.01 5.44 5.02 -1.26 0.13 118.16 126.88 1mtl n LYS 82 Ca -0.07 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.22 1mtl n LYS 82 Cb 0.58 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.59 1mtl n LYS 82 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1mtl n GLN 83 N -3.47 -0.01 0.15 1.97 6.02 -1.26 -0.21 117.38 120.56 1mtl n GLN 83 Ca 0.00 0.84 0.13 0.00 -0.01 0.00 0.00 57.00 57.95 1mtl n GLN 83 Cb 0.00 -1.25 0.48 0.00 1.02 0.00 0.00 30.24 30.48 1mtl n GLN 83 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1mtl h GLU 84 N 0.00 0.00 0.03 -1.09 3.07 0.64 -3.02 114.58 114.20 1mtl h GLU 84 Ca 0.00 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 58.66 1mtl h GLU 84 Cb 0.01 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 27.94 1mtl h GLU 84 CO -0.02 0.00 -0.83 -0.07 -1.40 0.00 0.00 179.01 176.69 1mtl h LEU 85 N 0.00 0.68 -0.33 1.33 3.38 -0.54 -2.15 115.31 117.67 1mtl h LEU 85 Ca 0.00 -0.78 -0.17 0.00 0.09 0.00 0.00 57.88 57.02 1mtl h LEU 85 Cb 0.53 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 1mtl h LEU 85 CO 0.00 1.38 -0.47 0.45 0.09 0.00 0.00 178.44 179.89 1mtl h HIS 86 N 0.06 1.11 -0.19 1.13 3.86 -0.88 0.10 115.15 120.35 1mtl h HIS 86 Ca -0.11 -0.37 0.01 0.00 -1.16 0.00 0.00 60.37 58.74 1mtl h HIS 86 Cb 1.53 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 29.76 1mtl h HIS 86 CO 0.14 1.20 0.10 0.00 0.86 0.00 0.00 177.93 180.23 1mtl h ALA 87 N 0.72 0.23 -0.70 2.45 0.00 -1.64 -1.84 119.26 118.48 1mtl h ALA 87 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1mtl h ALA 87 Cb 1.07 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1mtl h ALA 87 CO 0.11 -0.31 0.44 0.78 0.00 0.00 0.00 179.25 180.27 1mtl h GLY 88 N 0.22 1.01 0.12 0.00 0.00 -1.08 -2.01 103.07 101.33 1mtl h GLY 88 Ca 0.07 -0.40 0.12 0.00 0.00 0.00 0.00 47.33 47.12 1mtl h GLY 88 CO -0.04 0.39 0.13 -1.33 0.00 0.00 0.00 176.54 175.70 1mtl h GLY 89 N 0.96 0.82 0.53 4.60 0.00 -0.20 0.14 103.07 109.92 1mtl h GLY 89 Ca 0.25 -0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.54 1mtl h GLY 89 CO -0.05 -0.13 -0.46 3.21 0.00 0.00 0.00 176.54 179.10 1mtl h ARG 90 N 0.26 -0.94 -0.97 4.80 2.47 -0.63 0.35 114.38 119.72 1mtl h ARG 90 Ca 0.34 0.06 0.12 0.00 -1.26 0.00 0.00 59.98 59.24 1mtl h ARG 90 Cb 0.52 0.21 -0.08 0.00 -1.65 0.00 0.00 29.97 28.97 1mtl h ARG 90 CO -0.43 -0.63 0.61 0.87 0.56 0.00 0.00 179.97 180.96 1mtl h LYS 91 N -0.98 0.89 0.78 0.04 1.57 -1.07 -2.14 116.57 115.66 1mtl h LYS 91 Ca -0.07 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.62 1mtl h LYS 91 Cb 0.83 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.94 1mtl h LYS 91 CO -0.02 0.59 -0.39 1.25 -0.57 0.00 0.00 179.45 180.31 1mtl h LEU 92 N 0.91 -0.95 -1.14 2.94 5.85 0.15 -2.29 115.31 120.79 1mtl h LEU 92 Ca 0.48 0.04 0.19 0.00 0.84 0.00 0.00 57.88 59.43 1mtl h LEU 92 Cb 0.53 0.25 -0.10 0.00 0.37 0.00 0.00 40.66 41.72 1mtl h LEU 92 CO -0.24 -0.65 0.61 0.40 -0.34 0.00 0.00 178.44 178.22 1mtl h ILE 93 N -1.07 0.70 -0.18 4.05 2.04 0.29 0.17 117.51 123.51 1mtl h ILE 93 Ca -0.10 -0.23 0.03 0.00 1.00 0.00 0.00 64.86 65.55 1mtl h ILE 93 Cb 0.83 -0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 1mtl h ILE 93 CO 0.16 0.12 0.01 -0.33 0.00 0.00 0.00 178.15 178.12 1mtl h GLU 94 N 0.67 0.08 -0.66 2.37 5.08 -0.99 0.25 114.58 121.38 1mtl h GLU 94 Ca 0.55 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.95 1mtl h GLU 94 Cb 0.98 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.17 1mtl h GLU 94 CO -0.33 0.05 0.39 0.87 -1.00 0.00 0.00 179.01 178.99 1mtl h LYS 95 N 0.08 0.72 0.00 2.33 1.57 -0.16 0.15 116.57 121.26 1mtl h LYS 95 Ca 0.08 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 1mtl h LYS 95 Cb 0.09 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1mtl h LYS 95 CO -0.13 0.48 -0.34 0.82 -0.57 0.00 0.00 179.45 179.71 1mtl h ILE 96 N 0.75 1.13 -0.01 1.86 1.08 -0.43 -1.16 117.51 120.72 1mtl h ILE 96 Ca 0.28 -1.22 -0.15 0.00 -0.39 0.00 0.00 64.86 63.38 1mtl h ILE 96 Cb 0.09 1.68 -0.02 0.00 -3.07 0.00 0.00 36.82 35.50 1mtl h ILE 96 CO -0.14 0.33 -0.70 -0.33 -0.69 0.00 0.00 178.15 176.62 1mtl h GLU 97 N 0.00 0.06 0.00 2.37 5.08 0.11 0.26 114.58 122.46 1mtl h GLU 97 Ca -0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1mtl h GLU 97 Cb 0.65 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1mtl h GLU 97 CO 0.04 0.74 0.00 -3.47 -1.00 0.00 0.00 179.01 175.32 1mtl n ASP 98 N -3.73 0.00 0.08 1.42 -0.08 0.37 -4.05 116.55 110.55 1mtl n ASP 98 Ca -0.01 0.75 0.13 0.00 -1.51 0.00 0.00 54.79 54.15 1mtl n ASP 98 Cb 0.69 -0.42 0.43 0.00 2.34 0.00 0.00 41.12 44.15 1mtl n ASP 98 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 1mtl n TYR 99 N -1.77 0.68 -0.80 -0.67 4.02 -0.59 -4.98 117.16 113.06 1mtl n TYR 99 Ca 0.00 0.20 0.00 0.00 -0.01 0.00 0.00 57.90 58.09 1mtl n TYR 99 Cb 0.00 -0.81 0.00 0.00 -0.02 0.00 0.00 39.34 38.51 1mtl n TYR 99 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1mtl n GLN 100 N -2.07 0.00 -1.79 -0.72 10.64 0.93 -4.40 117.38 119.97 1mtl n GLN 100 Ca 0.06 0.00 -0.30 0.00 -1.83 0.00 0.00 57.00 54.93 1mtl n GLN 100 Cb 0.41 0.00 0.16 0.00 -0.86 0.00 0.00 30.24 29.95 1mtl n GLN 100 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 1mtl s PRO 101 N 0.00 0.83 0.22 2.61 0.04 -1.26 -4.75 135.00 132.68 1mtl s PRO 101 Ca 0.00 -0.16 -0.08 0.00 0.04 0.00 0.00 61.00 60.80 1mtl s PRO 101 Cb 0.00 -1.84 0.17 0.00 0.04 0.00 0.00 34.50 32.87 1mtl s PRO 101 CO 0.00 -2.33 1.82 1.96 0.04 0.00 0.00 177.00 178.49 1mtl h GLN 102 N -1.58 1.18 -3.07 4.56 4.20 -1.42 -3.37 115.11 115.62 1mtl h GLN 102 Ca -0.46 -0.16 -0.11 0.00 0.06 0.00 0.00 58.65 57.98 1mtl h GLN 102 Cb 1.28 -0.22 -0.19 0.00 0.30 0.00 0.00 27.48 28.65 1mtl h GLN 102 CO 0.47 0.90 -0.24 0.00 -0.67 0.00 0.00 178.83 179.29 1mtl s ALA 103 N -5.75 -0.80 -0.10 3.87 0.00 -0.79 -2.08 121.76 116.12 1mtl s ALA 103 Ca -0.13 0.27 0.03 0.00 0.00 0.00 0.00 51.96 52.14 1mtl s ALA 103 Cb 0.16 0.15 -0.01 0.00 0.00 0.00 0.00 23.12 23.42 1mtl s ALA 103 CO 0.82 -0.31 -0.20 -1.17 0.00 0.00 0.00 175.76 174.90 1mtl s LEU 104 N -1.55 2.35 -0.16 0.00 2.96 -0.30 -1.59 118.68 120.39 1mtl s LEU 104 Ca -0.11 -0.44 0.02 0.00 -0.22 0.00 0.00 54.13 53.38 1mtl s LEU 104 Cb -0.04 -1.48 0.02 0.00 0.50 0.00 0.00 46.19 45.19 1mtl s LEU 104 CO 0.02 0.20 -0.20 0.00 -1.32 0.00 0.00 176.35 175.05 1mtl s ALA 105 N 0.13 2.25 -0.21 5.97 0.00 -0.57 0.26 121.76 129.58 1mtl s ALA 105 Ca -0.10 -1.14 -0.14 0.00 0.00 0.00 0.00 51.96 50.58 1mtl s ALA 105 Cb -0.16 -1.09 -0.04 0.00 0.00 0.00 0.00 23.12 21.83 1mtl s ALA 105 CO 0.06 -0.23 0.32 0.42 0.00 0.00 0.00 175.76 176.33 1mtl s ILE 106 N 1.13 5.25 -1.39 0.00 -1.09 0.21 -0.28 121.20 125.02 1mtl s ILE 106 Ca 0.00 0.53 -0.08 0.00 -2.23 0.00 0.00 60.65 58.87 1mtl s ILE 106 Cb -0.14 -3.65 0.08 0.00 -1.58 0.00 0.00 42.46 37.17 1mtl s ILE 106 CO -0.09 0.28 2.35 0.18 -1.23 0.00 0.00 174.94 176.43 1mtl n LEU 107 N 4.42 7.70 0.00 2.97 4.77 -0.60 -0.77 117.00 135.48 1mtl n LEU 107 Ca -0.10 -4.63 0.00 0.00 -0.03 0.00 0.00 56.01 51.24 1mtl n LEU 107 Cb 0.51 -1.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.14 1mtl n LEU 107 CO 0.38 1.77 0.00 0.61 -1.33 0.00 0.00 177.39 178.83 1mtl n GLY 108 N 2.66 2.81 0.21 -0.72 0.00 -0.71 -3.75 105.19 105.68 1mtl n GLY 108 Ca 0.58 0.11 -0.08 0.00 0.00 0.00 0.00 46.02 46.64 1mtl n GLY 108 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1mtl h LYS 109 N 0.00 -0.47 -0.36 1.61 3.64 -1.87 -2.46 116.57 116.66 1mtl h LYS 109 Ca 0.00 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.46 1mtl h LYS 109 Cb 0.00 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1mtl h LYS 109 CO 0.00 -0.32 0.24 1.96 -2.27 0.00 0.00 179.45 179.07 1mtl h GLN 110 N -0.80 0.30 -0.46 1.90 4.20 -1.98 0.90 115.11 119.17 1mtl h GLN 110 Ca -0.05 -0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.54 1mtl h GLN 110 Cb 0.38 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 1mtl h GLN 110 CO 0.08 0.20 -0.12 0.00 -0.67 0.00 0.00 178.83 178.32 1mtl h ALA 111 N 1.80 0.93 -0.09 3.87 0.00 -1.95 -0.88 119.26 122.94 1mtl h ALA 111 Ca 0.15 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 1mtl h ALA 111 Cb 0.23 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1mtl h ALA 111 CO -0.03 0.62 -0.25 -0.92 0.00 0.00 0.00 179.25 178.67 1mtl h TYR 112 N 0.76 0.42 -0.60 0.00 3.20 -0.59 0.10 116.97 120.27 1mtl h TYR 112 Ca 0.12 -0.17 0.12 0.00 3.14 0.00 0.00 58.73 61.95 1mtl h TYR 112 Cb 0.62 -0.07 -0.10 0.00 1.54 0.00 0.00 36.73 38.72 1mtl h TYR 112 CO 0.03 0.86 -0.01 0.93 -1.64 0.00 0.00 178.16 178.34 1mtl h GLU 113 N -0.14 0.11 0.00 1.82 5.08 -0.75 -1.05 114.58 119.65 1mtl h GLU 113 Ca -0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1mtl h GLU 113 Cb 0.86 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1mtl h GLU 113 CO 0.05 0.07 0.00 1.04 -1.00 0.00 0.00 179.01 179.18 1mtl n GLN 114 N -5.28 0.00 -0.49 2.33 6.02 -0.35 -0.41 117.38 119.20 1mtl n GLN 114 Ca 0.08 0.16 0.39 0.00 -0.01 0.00 0.00 57.00 57.62 1mtl n GLN 114 Cb 0.34 -0.85 0.60 0.00 1.02 0.00 0.00 30.24 31.35 1mtl n GLN 114 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1mtl n GLY 115 N 1.20 -0.77 0.50 1.08 0.00 0.02 0.15 105.19 107.37 1mtl n GLY 115 Ca 0.00 0.50 0.07 0.00 0.00 0.00 0.00 46.02 46.60 1mtl n GLY 115 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1mtl n PHE 116 N -3.40 0.47 -4.24 1.61 3.01 -0.40 -4.04 117.46 110.46 1mtl n PHE 116 Ca 0.32 -0.79 -0.35 0.00 1.01 0.00 0.00 57.45 57.65 1mtl n PHE 116 Cb 1.56 -0.18 -0.04 0.00 -0.01 0.00 0.00 39.48 40.81 1mtl n PHE 116 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1mtl n SER 117 N -0.58 -1.90 -4.86 4.37 7.64 0.39 -4.96 113.62 113.72 1mtl n SER 117 Ca 0.15 -1.09 -0.22 0.00 1.01 0.00 0.00 58.87 58.72 1mtl n SER 117 Cb 0.65 -2.46 -0.03 0.00 -1.01 0.00 0.00 64.21 61.35 1mtl n SER 117 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1mtl s GLN 118 N -6.97 2.44 -0.01 1.43 -1.52 0.45 -5.02 119.66 110.46 1mtl s GLN 118 Ca 0.52 -1.65 -0.20 0.00 -1.95 0.00 0.00 55.36 52.08 1mtl s GLN 118 Cb -0.29 -2.27 0.04 0.00 -0.22 0.00 0.00 33.01 30.27 1mtl s GLN 118 CO 0.95 -0.24 0.43 1.03 -0.25 0.00 0.00 175.29 177.21 1mtl s ARG 119 N -4.11 0.84 -1.57 2.91 0.52 -1.26 -4.41 118.95 111.87 1mtl s ARG 119 Ca 0.45 -0.13 0.00 0.00 -0.52 0.00 0.00 55.73 55.53 1mtl s ARG 119 Cb -0.02 0.38 0.00 0.00 0.52 0.00 0.00 34.95 35.83 1mtl s ARG 119 CO 0.26 -0.26 0.00 0.41 0.02 0.00 0.00 175.30 175.73 1mtl n GLY 120 N 0.95 1.11 3.77 -3.53 0.00 -1.26 -4.95 105.19 101.28 1mtl n GLY 120 Ca -0.20 -0.27 -0.39 0.00 0.00 0.00 0.00 46.02 45.16 1mtl n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mtl s ALA 121 N -2.63 3.21 0.21 4.61 0.00 -1.26 -5.03 121.76 120.86 1mtl s ALA 121 Ca 0.00 1.17 0.07 0.00 0.00 0.00 0.00 51.96 53.20 1mtl s ALA 121 Cb 0.00 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.62 1mtl s ALA 121 CO 0.00 -0.77 0.06 -0.65 0.00 0.00 0.00 175.76 174.40 1mtl s GLN 122 N -2.28 2.57 0.85 0.00 -1.52 -1.26 -5.03 119.66 112.99 1mtl s GLN 122 Ca 0.58 -1.12 -0.13 0.00 -1.95 0.00 0.00 55.36 52.74 1mtl s GLN 122 Cb -0.36 -2.41 0.06 0.00 -0.22 0.00 0.00 33.01 30.08 1mtl s GLN 122 CO 0.46 0.43 0.85 0.91 -0.25 0.00 0.00 175.29 177.69 1mtl n TRP 123 N -0.53 0.07 -0.25 0.91 7.02 -1.26 -4.80 117.44 118.59 1mtl n TRP 123 Ca -0.08 0.35 0.00 0.00 -1.02 0.00 0.00 57.50 56.74 1mtl n TRP 123 Cb 0.56 -1.97 0.00 0.00 -2.42 0.00 0.00 31.31 27.49 1mtl n TRP 123 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1mtl n GLY 124 N 0.98 -0.31 3.75 6.99 0.00 -0.27 -4.95 105.19 111.39 1mtl n GLY 124 Ca 0.11 -1.80 -0.41 0.00 0.00 0.00 0.00 46.02 43.92 1mtl n GLY 124 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1mtl s LYS 125 N 0.00 4.52 0.36 1.61 2.20 -1.26 -1.00 119.74 126.17 1mtl s LYS 125 Ca 0.00 1.91 0.07 0.00 -0.36 0.00 0.00 55.97 57.60 1mtl s LYS 125 Cb 0.00 -3.19 -0.02 0.00 -1.51 0.00 0.00 37.83 33.11 1mtl s LYS 125 CO 0.00 0.00 0.33 -0.65 -0.36 0.00 0.00 175.35 174.68 1mtl s GLN 126 N -0.94 2.71 -0.09 4.03 -1.52 -0.07 -4.93 119.66 118.85 1mtl s GLN 126 Ca 0.49 -1.33 0.13 0.00 -1.95 0.00 0.00 55.36 52.70 1mtl s GLN 126 Cb -0.34 -2.49 -0.24 0.00 -0.22 0.00 0.00 33.01 29.73 1mtl s GLN 126 CO 0.41 0.01 0.49 0.25 -0.25 0.00 0.00 175.29 176.20 1mtl n THR 127 N -1.45 1.56 -1.56 -0.19 -2.24 -1.26 -4.56 114.28 104.57 1mtl n THR 127 Ca -0.00 -0.81 -0.36 0.00 -2.27 0.00 0.00 64.05 60.61 1mtl n THR 127 Cb 0.60 -0.91 0.08 0.00 -2.10 0.00 0.00 70.33 68.01 1mtl n THR 127 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1mtl n LEU 128 N -2.98 5.47 -4.11 3.22 7.94 -1.26 -4.95 117.00 120.33 1mtl n LEU 128 Ca -0.22 0.76 -0.12 0.00 -1.11 0.00 0.00 56.01 55.33 1mtl n LEU 128 Cb 1.08 -1.53 -0.07 0.00 0.53 0.00 0.00 43.42 43.43 1mtl n LEU 128 CO 0.44 -1.24 -0.01 0.42 -1.11 0.00 0.00 177.39 175.89 1mtl s THR 129 N -1.59 0.00 -0.39 1.96 -4.23 -1.26 -3.72 115.64 106.41 1mtl s THR 129 Ca 0.80 -1.70 0.01 0.00 -1.18 0.00 0.00 61.69 59.62 1mtl s THR 129 Cb -0.36 -2.40 0.12 0.00 1.34 0.00 0.00 72.50 71.20 1mtl s THR 129 CO 0.43 0.00 0.19 -0.63 -0.54 0.00 0.00 174.62 174.07 1mtl s ILE 130 N -3.90 1.27 0.00 2.99 1.01 -0.96 -5.00 121.20 116.60 1mtl s ILE 130 Ca 0.31 -2.19 0.00 0.00 0.00 0.00 0.00 60.65 58.77 1mtl s ILE 130 Cb 0.03 -1.91 0.00 0.00 0.01 0.00 0.00 42.46 40.58 1mtl s ILE 130 CO 0.13 -0.82 0.00 0.61 0.00 0.00 0.00 174.94 174.86 1mtl n GLY 131 N 3.97 2.03 0.11 6.18 0.00 -1.26 -1.94 105.19 114.28 1mtl n GLY 131 Ca 0.05 -0.48 0.12 0.00 0.00 0.00 0.00 46.02 45.71 1mtl n GLY 131 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1mtl h SER 132 N 4.71 0.00 -3.00 1.61 4.64 -1.94 -3.46 113.55 116.11 1mtl h SER 132 Ca 0.00 -0.08 -0.54 0.00 -0.47 0.00 0.00 61.79 60.70 1mtl h SER 132 Cb 0.00 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 62.17 1mtl h SER 132 CO 0.00 0.04 0.87 0.41 -0.87 0.00 0.00 176.83 177.28 1mtl n THR 133 N -2.43 0.72 -2.57 2.95 -1.04 -0.82 -4.95 114.28 106.15 1mtl n THR 133 Ca 0.03 -0.18 -0.28 0.00 -2.04 0.00 0.00 64.05 61.58 1mtl n THR 133 Cb 0.47 -1.88 -0.00 0.00 -1.82 0.00 0.00 70.33 67.09 1mtl n THR 133 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1mtl s GLN 134 N -0.02 3.59 -0.12 -2.82 -0.21 -0.88 -2.27 119.66 116.91 1mtl s GLN 134 Ca 0.68 0.31 0.03 0.00 0.02 0.00 0.00 55.36 56.40 1mtl s GLN 134 Cb -0.53 -2.34 0.00 0.00 1.00 0.00 0.00 33.01 31.15 1mtl s GLN 134 CO 0.44 -0.23 -0.21 0.42 -2.12 0.00 0.00 175.29 173.60 1mtl s ILE 135 N -2.74 2.26 -0.02 1.08 1.01 -1.24 -1.15 121.20 120.38 1mtl s ILE 135 Ca 0.49 -0.93 0.05 0.00 0.00 0.00 0.00 60.65 60.25 1mtl s ILE 135 Cb -0.10 -1.90 -0.01 0.00 0.01 0.00 0.00 42.46 40.46 1mtl s ILE 135 CO 0.44 0.55 -0.16 0.26 0.00 0.00 0.00 174.94 176.03 1mtl s TRP 136 N 0.57 1.51 -0.29 3.97 0.52 0.14 -0.90 118.94 124.46 1mtl s TRP 136 Ca -0.12 -0.34 -0.05 0.00 0.02 0.00 0.00 56.10 55.61 1mtl s TRP 136 Cb -0.17 -0.99 0.02 0.00 -1.15 0.00 0.00 33.47 31.18 1mtl s TRP 136 CO 0.04 -0.07 0.04 0.08 0.02 0.00 0.00 176.95 177.06 1mtl s VAL 137 N -0.22 3.61 0.14 4.03 1.01 -0.17 0.66 120.40 129.46 1mtl s VAL 137 Ca 0.03 -0.87 0.11 0.00 0.00 0.00 0.00 61.98 61.25 1mtl s VAL 137 Cb -0.08 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 1mtl s VAL 137 CO 0.00 0.07 -0.26 -0.76 0.00 0.00 0.00 175.10 174.15 1mtl s LEU 138 N 1.43 2.34 0.17 3.92 1.43 0.05 -1.12 118.68 126.91 1mtl s LEU 138 Ca 0.01 -0.77 -0.31 0.00 -1.03 0.00 0.00 54.13 52.03 1mtl s LEU 138 Cb -0.17 -1.19 -0.09 0.00 0.03 0.00 0.00 46.19 44.77 1mtl s LEU 138 CO 0.00 0.16 1.38 -2.16 0.23 0.00 0.00 176.35 175.97 1mtl s PRO 139 N -2.19 4.33 0.42 1.29 0.04 -1.26 -1.75 135.00 135.88 1mtl s PRO 139 Ca 0.15 2.12 -0.26 0.00 0.04 0.00 0.00 61.00 63.05 1mtl s PRO 139 Cb -0.10 -3.20 -0.09 0.00 0.04 0.00 0.00 34.50 31.15 1mtl s PRO 139 CO 0.07 -0.38 1.45 1.21 0.04 0.00 0.00 177.00 179.38 1mtl s ASN 140 N 0.71 6.09 0.04 6.66 2.47 -1.25 -4.84 114.94 124.83 1mtl s ASN 140 Ca 0.61 2.97 0.27 0.00 0.42 0.00 0.00 52.86 57.13 1mtl s ASN 140 Cb -0.38 -2.66 0.86 0.00 -1.45 0.00 0.00 41.25 37.62 1mtl s ASN 140 CO 0.35 -1.04 1.68 -0.81 -3.72 0.00 0.00 177.10 173.57 1mtl n PRO 141 N 0.09 0.07 -1.17 0.43 -0.05 -1.26 -4.78 135.00 128.33 1mtl n PRO 141 Ca 0.03 0.04 -0.38 0.00 -0.05 0.00 0.00 63.50 63.14 1mtl n PRO 141 Cb 0.41 -1.56 0.03 0.00 -0.05 0.00 0.00 33.50 32.32 1mtl n PRO 141 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 175.50 175.90 1mtl n SER 142 N -1.67 -4.22 0.06 3.54 2.88 -1.26 -1.92 113.62 111.03 1mtl n SER 142 Ca 0.06 0.50 0.11 0.00 -1.33 0.00 0.00 58.87 58.20 1mtl n SER 142 Cb 0.36 -0.85 0.43 0.00 -0.75 0.00 0.00 64.21 63.40 1mtl n SER 142 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1mtl n GLY 143 N 2.75 -1.28 0.43 0.46 0.00 -0.91 -2.33 105.19 104.31 1mtl n GLY 143 Ca 0.05 -0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.20 1mtl n GLY 143 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1mtl n LEU 144 N -1.88 1.46 -4.56 0.99 4.77 -1.26 -4.80 117.00 111.71 1mtl n LEU 144 Ca 0.04 -0.46 -0.43 0.00 -0.03 0.00 0.00 56.01 55.13 1mtl n LEU 144 Cb 0.25 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.26 1mtl n LEU 144 CO 0.20 0.25 0.70 -0.55 -1.33 0.00 0.00 177.39 176.67 1mtl s SER 145 N -2.19 6.49 0.00 -1.43 0.15 -0.98 -4.92 113.70 110.82 1mtl s SER 145 Ca 0.32 0.10 0.01 0.00 0.70 0.00 0.00 55.95 57.08 1mtl s SER 145 Cb 0.20 -2.43 0.07 0.00 -1.71 0.00 0.00 66.02 62.15 1mtl s SER 145 CO 0.41 -1.00 0.35 0.54 1.20 0.00 0.00 173.24 174.74 1mtl n ARG 146 N 7.02 0.08 -2.14 5.44 1.74 -1.26 -4.75 116.66 122.80 1mtl n ARG 146 Ca 0.05 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.72 1mtl n ARG 146 Cb 0.48 -1.24 -0.02 0.00 -1.02 0.00 0.00 32.46 30.66 1mtl n ARG 146 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1mtl s VAL 147 N -2.00 2.79 0.50 1.55 1.01 -1.26 -4.99 120.40 118.00 1mtl s VAL 147 Ca 0.02 0.78 -0.19 0.00 0.00 0.00 0.00 61.98 62.59 1mtl s VAL 147 Cb 0.01 -3.49 -0.08 0.00 0.00 0.00 0.00 36.38 32.81 1mtl s VAL 147 CO 0.01 0.18 1.00 -0.94 0.00 0.00 0.00 175.10 175.35 1mtl s SER 148 N -0.38 6.53 0.27 3.32 1.04 -1.26 -4.90 113.70 118.32 1mtl s SER 148 Ca 0.50 1.72 0.00 0.00 0.48 0.00 0.00 55.95 58.65 1mtl s SER 148 Cb -0.39 -2.53 0.60 0.00 0.10 0.00 0.00 66.02 63.79 1mtl s SER 148 CO 0.50 -0.65 1.72 0.25 0.98 0.00 0.00 173.24 176.05 1mtl h LEU 149 N 1.28 0.37 0.03 2.42 5.85 -1.96 -0.95 115.31 122.35 1mtl h LEU 149 Ca -0.48 0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.36 1mtl h LEU 149 Cb 1.20 0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.31 1mtl h LEU 149 CO 0.60 0.09 -0.01 -0.08 -0.34 0.00 0.00 178.44 178.70 1mtl h GLU 150 N 0.48 -0.04 -0.42 1.25 4.81 -1.99 -0.45 114.58 118.22 1mtl h GLU 150 Ca 0.49 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.76 1mtl h GLU 150 Cb 0.83 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.19 1mtl h GLU 150 CO -0.45 0.03 0.28 -0.22 -0.73 0.00 0.00 179.01 177.92 1mtl h LYS 151 N -0.09 0.43 0.26 1.92 3.64 -1.59 -0.37 116.57 120.75 1mtl h LYS 151 Ca -0.00 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1mtl h LYS 151 Cb 0.08 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1mtl h LYS 151 CO 0.01 0.28 -0.12 1.25 -2.27 0.00 0.00 179.45 178.60 1mtl h LEU 152 N 0.44 -0.29 -0.81 5.20 5.85 -0.71 -1.40 115.31 123.58 1mtl h LEU 152 Ca 0.17 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.74 1mtl h LEU 152 Cb 0.15 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 1mtl h LEU 152 CO -0.04 0.01 0.54 0.58 -0.34 0.00 0.00 178.44 179.19 1mtl h VAL 153 N -0.61 1.19 -0.59 1.05 2.07 -0.28 -0.78 116.25 118.30 1mtl h VAL 153 Ca -0.04 -0.37 -0.05 0.00 0.82 0.00 0.00 66.70 67.06 1mtl h VAL 153 Cb 0.44 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 1mtl h VAL 153 CO 0.06 0.20 0.17 -0.08 0.02 0.00 0.00 177.57 177.93 1mtl h GLU 154 N 1.08 0.90 -0.10 1.57 4.81 -1.05 0.20 114.58 122.00 1mtl h GLU 154 Ca 0.30 -0.18 -0.04 0.00 -0.13 0.00 0.00 59.36 59.32 1mtl h GLU 154 Cb -0.10 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.14 1mtl h GLU 154 CO -0.07 0.79 -0.08 0.00 -0.73 0.00 0.00 179.01 178.91 1mtl h ALA 155 N 1.31 0.14 -0.37 2.92 0.00 -0.19 -2.70 119.26 120.38 1mtl h ALA 155 Ca 0.19 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 1mtl h ALA 155 Cb 0.28 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1mtl h ALA 155 CO -0.01 -0.04 -0.31 1.88 0.00 0.00 0.00 179.25 180.77 1mtl h TYR 156 N -0.17 0.93 -0.54 0.00 -1.99 -1.06 -3.02 116.97 111.12 1mtl h TYR 156 Ca 0.02 -0.25 0.09 0.00 2.00 0.00 0.00 58.73 60.59 1mtl h TYR 156 Cb 0.58 -0.21 -0.07 0.00 2.00 0.00 0.00 36.73 39.03 1mtl h TYR 156 CO 0.08 1.01 0.14 -0.09 -0.00 0.00 0.00 178.16 179.30 1mtl h ARG 157 N 0.68 0.28 -0.52 4.88 2.43 -0.58 -0.69 114.38 120.84 1mtl h ARG 157 Ca 0.07 -0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.32 1mtl h ARG 157 Cb 0.85 -0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 30.26 1mtl h ARG 157 CO 0.07 0.19 0.08 0.93 -1.51 0.00 0.00 179.97 179.73 1mtl h GLU 158 N 0.29 0.21 -0.01 0.20 5.08 -1.35 0.13 114.58 119.13 1mtl h GLU 158 Ca 0.27 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.65 1mtl h GLU 158 Cb 0.36 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 1mtl h GLU 158 CO -0.33 0.14 -0.15 1.25 -1.00 0.00 0.00 179.01 178.92 1mtl h LEU 159 N 0.21 -0.45 -0.75 1.33 5.85 -1.15 0.01 115.31 120.37 1mtl h LEU 159 Ca 0.27 0.07 0.11 0.00 0.84 0.00 0.00 57.88 59.17 1mtl h LEU 159 Cb 0.38 0.19 -0.08 0.00 0.37 0.00 0.00 40.66 41.52 1mtl h LEU 159 CO -0.37 -0.21 0.36 -0.78 -0.34 0.00 0.00 178.44 177.10 1mtl h ASP 160 N -0.25 0.43 0.02 1.25 -0.00 0.07 -1.46 116.42 116.48 1mtl h ASP 160 Ca 0.05 0.08 -0.00 0.00 -0.00 0.00 0.00 57.03 57.16 1mtl h ASP 160 Cb 0.32 0.01 0.00 0.00 -0.00 0.00 0.00 39.33 39.66 1mtl h ASP 160 CO -0.15 0.22 -0.01 1.56 -0.00 0.00 0.00 179.24 180.85 1mtl h GLN 161 N 0.57 -0.03 -0.54 0.28 1.08 -0.32 -2.84 115.11 113.31 1mtl h GLN 161 Ca 0.39 0.00 0.16 0.00 -1.45 0.00 0.00 58.65 57.75 1mtl h GLN 161 Cb 0.48 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.90 1mtl h GLN 161 CO -0.32 0.14 0.47 0.00 -0.95 0.00 0.00 178.83 178.18 1mtl h ALA 162 N 0.77 2.37 -1.21 3.87 0.00 0.04 -3.10 119.26 121.99 1mtl h ALA 162 Ca -0.00 -0.02 -0.78 0.00 0.00 0.00 0.00 54.91 54.11 1mtl h ALA 162 Cb 0.19 0.04 -0.20 0.00 0.00 0.00 0.00 17.79 17.82 1mtl h ALA 162 CO 0.01 -0.75 1.62 1.28 0.00 0.00 0.00 179.25 181.40 1mtl n LEU 163 N -3.99 6.82 0.00 0.00 4.77 -0.90 -5.10 117.00 118.61 1mtl n LEU 163 Ca 0.10 -4.91 0.00 0.00 -0.03 0.00 0.00 56.01 51.17 1mtl n LEU 163 Cb 0.69 -1.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.41 1mtl n LEU 163 CO 0.32 1.62 0.00 0.52 -1.33 0.00 0.00 177.39 178.52