#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1om2 s ALA 2 N 0.00 -1.65 -0.11 2.89 0.00 -1.26 -5.18 121.76 116.46 1om2 s ALA 2 Ca 0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 51.96 51.86 1om2 s ALA 2 Cb 0.00 0.68 0.05 0.00 0.00 0.00 0.00 23.12 23.85 1om2 s ALA 2 CO 0.00 -1.05 0.23 0.20 0.00 0.00 0.00 175.76 175.14 1om2 s GLY 3 N -3.16 -0.10 0.12 0.00 0.00 -1.26 -5.16 107.32 97.76 1om2 s GLY 3 Ca 0.17 0.90 -0.13 0.00 0.00 0.00 0.00 44.72 45.66 1om2 s GLY 3 CO 0.03 1.48 0.32 1.08 0.00 0.00 0.00 173.10 176.01 1om2 s LEU 4 N 1.71 0.82 -0.27 0.66 1.43 -1.26 -5.18 118.68 116.59 1om2 s LEU 4 Ca -0.05 -0.49 -0.32 0.00 -1.03 0.00 0.00 54.13 52.24 1om2 s LEU 4 Cb -0.11 1.50 0.18 0.00 0.03 0.00 0.00 46.19 47.78 1om2 s LEU 4 CO -0.08 -0.82 1.34 -0.94 0.23 0.00 0.00 176.35 176.08 1om2 s SER 5 N -2.84 -0.05 1.13 2.29 1.04 -1.26 -5.19 113.70 108.82 1om2 s SER 5 Ca 0.05 0.03 -0.11 0.00 0.48 0.00 0.00 55.95 56.40 1om2 s SER 5 Cb 0.03 0.04 0.17 0.00 0.10 0.00 0.00 66.02 66.36 1om2 s SER 5 CO -0.10 -0.06 0.63 0.29 0.98 0.00 0.00 173.24 174.98 1om2 n LYS 6 N 0.32 -2.06 -3.21 4.02 5.02 -1.26 -4.69 118.16 116.29 1om2 n LYS 6 Ca 0.01 -1.00 -0.13 0.00 -2.02 0.00 0.00 58.31 55.17 1om2 n LYS 6 Cb 0.58 -0.90 0.01 0.00 -0.02 0.00 0.00 35.03 34.70 1om2 n LYS 6 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1om2 n LEU 7 N 0.00 -5.51 0.00 -0.35 0.00 -1.26 -5.03 117.00 104.85 1om2 n LEU 7 Ca 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 56.01 56.02 1om2 n LEU 7 Cb 0.33 -2.74 0.00 0.00 0.00 0.00 0.00 43.42 41.01 1om2 n LEU 7 CO 0.23 -1.02 0.00 -0.81 0.00 0.00 0.00 177.39 175.79 1om2 n PRO 8 N -1.25 -0.12 -1.41 1.96 -0.04 -1.26 -4.97 135.00 127.90 1om2 n PRO 8 Ca -0.04 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.01 1om2 n PRO 8 Cb 0.56 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.03 1om2 n PRO 8 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1om2 n ASP 9 N -2.04 -1.48 0.02 3.54 9.92 -1.26 -4.84 116.55 120.41 1om2 n ASP 9 Ca 0.00 0.85 0.11 0.00 -0.53 0.00 0.00 54.79 55.22 1om2 n ASP 9 Cb 0.00 -1.06 -0.08 0.00 -0.64 0.00 0.00 41.12 39.34 1om2 n ASP 9 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1om2 n LEU 10 N 1.45 0.44 -0.17 0.64 7.99 -1.26 -3.93 117.00 122.16 1om2 n LEU 10 Ca 0.11 0.01 -0.05 0.00 -0.01 0.00 0.00 56.01 56.07 1om2 n LEU 10 Cb 0.41 -0.04 0.14 0.00 -0.11 0.00 0.00 43.42 43.82 1om2 n LEU 10 CO 0.54 0.00 0.95 0.11 -1.51 0.00 0.00 177.39 177.48 1om2 h LYS 11 N 0.00 0.94 -6.07 3.23 6.56 -2.04 -3.40 116.57 115.78 1om2 h LYS 11 Ca 0.00 -0.21 -0.58 0.00 -1.06 0.00 0.00 60.65 58.80 1om2 h LYS 11 Cb 0.87 -0.13 -0.05 0.00 -0.57 0.00 0.00 32.23 32.35 1om2 h LYS 11 CO 0.00 0.85 -0.06 -0.51 -2.06 0.00 0.00 179.45 177.67 1om2 s ASP 12 N -6.54 6.94 -0.17 0.86 1.11 -1.25 -4.99 116.67 112.62 1om2 s ASP 12 Ca -0.11 1.12 -0.15 0.00 0.18 0.00 0.00 52.55 53.60 1om2 s ASP 12 Cb 0.15 -2.34 -0.22 0.00 1.07 0.00 0.00 42.92 41.58 1om2 s ASP 12 CO 0.82 0.17 0.26 0.00 1.18 0.00 0.00 175.17 177.60 1om2 n ALA 13 N 2.43 0.85 -0.19 5.23 0.00 -1.26 -3.95 120.51 123.62 1om2 n ALA 13 Ca -0.09 -0.56 -0.01 0.00 0.00 0.00 0.00 53.44 52.78 1om2 n ALA 13 Cb 0.51 -0.59 0.09 0.00 0.00 0.00 0.00 19.45 19.46 1om2 n ALA 13 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1om2 h GLU 14 N -0.51 0.37 -0.34 0.00 3.07 -1.94 0.51 114.58 115.73 1om2 h GLU 14 Ca -0.40 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 58.44 1om2 h GLU 14 Cb 1.65 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 29.46 1om2 h GLU 14 CO -0.08 0.24 0.20 0.00 -1.40 0.00 0.00 179.01 177.97 1om2 h ALA 15 N 1.39 1.72 0.00 3.43 0.00 -1.88 -1.61 119.26 122.31 1om2 h ALA 15 Ca 0.28 -0.04 -0.24 0.00 0.00 0.00 0.00 54.91 54.91 1om2 h ALA 15 Cb 0.33 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1om2 h ALA 15 CO -0.29 0.25 -1.29 0.28 0.00 0.00 0.00 179.25 178.20 1om2 h VAL 16 N 0.46 1.36 -0.70 0.00 2.07 -1.28 -3.28 116.25 114.88 1om2 h VAL 16 Ca 0.12 -3.13 -0.02 0.00 0.82 0.00 0.00 66.70 64.50 1om2 h VAL 16 Cb -0.02 2.68 -0.03 0.00 -1.52 0.00 0.00 31.29 32.40 1om2 h VAL 16 CO -0.02 0.78 0.38 -0.61 0.02 0.00 0.00 177.57 178.11 1om2 h GLN 17 N 0.00 0.99 0.51 1.57 4.15 0.87 0.21 115.11 123.42 1om2 h GLN 17 Ca -0.12 -0.12 -0.02 0.00 0.77 0.00 0.00 58.65 59.16 1om2 h GLN 17 Cb 1.87 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 29.36 1om2 h GLN 17 CO 0.11 0.75 -0.37 0.87 -1.93 0.00 0.00 178.83 178.26 1om2 h LYS 18 N 0.97 -0.82 -0.57 1.69 1.57 -1.45 -1.21 116.57 116.74 1om2 h LYS 18 Ca 0.25 0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 59.08 1om2 h LYS 18 Cb 0.06 0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 1om2 h LYS 18 CO -0.04 -0.55 0.33 0.35 -0.57 0.00 0.00 179.45 178.97 1om2 h PHE 19 N -0.85 0.76 -0.17 -1.35 3.04 -1.58 0.21 116.94 116.99 1om2 h PHE 19 Ca -0.06 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 61.93 1om2 h PHE 19 Cb 0.72 -0.25 -0.04 0.00 2.56 0.00 0.00 35.95 38.94 1om2 h PHE 19 CO -0.14 0.54 -0.09 0.35 -2.02 0.00 0.00 178.31 176.95 1om2 h PHE 20 N 0.77 -0.21 -0.66 0.41 3.57 -0.44 0.46 116.94 120.82 1om2 h PHE 20 Ca 0.20 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.70 1om2 h PHE 20 Cb 0.01 0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 1om2 h PHE 20 CO -0.02 -0.14 0.31 -0.07 -2.23 0.00 0.00 178.31 176.16 1om2 h LEU 21 N -0.08 0.87 -1.60 0.59 3.38 -1.07 -0.13 115.31 117.28 1om2 h LEU 21 Ca 0.10 -0.14 0.11 0.00 0.09 0.00 0.00 57.88 58.04 1om2 h LEU 21 Cb 0.22 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1om2 h LEU 21 CO -0.22 0.77 0.43 -0.08 0.09 0.00 0.00 178.44 179.43 1om2 h GLU 22 N 0.92 0.42 0.13 1.13 4.81 0.41 0.49 114.58 122.89 1om2 h GLU 22 Ca 0.23 -0.03 -0.20 0.00 -0.13 0.00 0.00 59.36 59.23 1om2 h GLU 22 Cb 0.13 -0.10 0.02 0.00 0.63 0.00 0.00 28.75 29.44 1om2 h GLU 22 CO -0.03 0.28 -0.88 1.49 -0.73 0.00 0.00 179.01 179.14 1om2 h GLU 23 N 0.44 0.36 -0.42 1.92 4.57 -0.19 0.13 114.58 121.39 1om2 h GLU 23 Ca 0.30 -0.57 0.08 0.00 -1.18 0.00 0.00 59.36 58.00 1om2 h GLU 23 Cb 0.60 0.20 -0.07 0.00 -0.16 0.00 0.00 28.75 29.32 1om2 h GLU 23 CO -0.09 1.25 -0.05 0.82 -1.18 0.00 0.00 179.01 179.76 1om2 h ILE 24 N -0.23 0.62 0.07 2.32 2.04 -0.44 0.52 117.51 122.41 1om2 h ILE 24 Ca -0.15 -0.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.69 1om2 h ILE 24 Cb 1.67 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 38.32 1om2 h ILE 24 CO 0.17 0.01 -0.03 1.56 0.00 0.00 0.00 178.15 179.85 1om2 h GLN 25 N 0.05 -0.09 -0.40 2.37 4.20 -0.98 -2.30 115.11 117.95 1om2 h GLN 25 Ca 0.21 0.01 0.08 0.00 0.06 0.00 0.00 58.65 59.01 1om2 h GLN 25 Cb 0.31 0.02 -0.08 0.00 0.30 0.00 0.00 27.48 28.03 1om2 h GLN 25 CO -0.39 0.44 -0.14 1.25 -0.67 0.00 0.00 178.83 179.31 1om2 h LEU 26 N -0.71 -0.51 0.25 1.46 7.12 -0.60 0.13 115.31 122.44 1om2 h LEU 26 Ca -0.01 0.14 -0.01 0.00 0.13 0.00 0.00 57.88 58.13 1om2 h LEU 26 Cb 0.58 0.30 -0.00 0.00 -0.53 0.00 0.00 40.66 41.01 1om2 h LEU 26 CO 0.02 -0.18 -0.15 1.23 -0.13 0.00 0.00 178.44 179.22 1om2 h GLY 27 N -0.06 -0.61 -0.59 3.75 0.00 -0.98 0.26 103.07 104.83 1om2 h GLY 27 Ca 0.20 0.25 0.35 0.00 0.00 0.00 0.00 47.33 48.13 1om2 h GLY 27 CO -0.45 -0.22 0.80 0.83 0.00 0.00 0.00 176.54 177.51 1om2 h GLU 28 N -0.37 0.19 -0.16 4.80 4.39 -1.10 0.23 114.58 122.55 1om2 h GLU 28 Ca -0.03 -0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.56 1om2 h GLU 28 Cb 0.30 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1om2 h GLU 28 CO 0.03 0.13 -0.26 1.49 -1.16 0.00 0.00 179.01 179.23 1om2 h GLU 29 N 0.19 0.47 -0.80 2.33 4.57 -0.48 0.24 114.58 121.11 1om2 h GLU 29 Ca 0.68 -0.28 -0.02 0.00 -1.18 0.00 0.00 59.36 58.56 1om2 h GLU 29 Cb 2.12 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 30.70 1om2 h GLU 29 CO -0.26 0.88 0.43 -0.07 -1.18 0.00 0.00 179.01 178.81 1om2 h LEU 30 N 0.10 0.99 -1.16 1.64 3.38 0.15 -0.67 115.31 119.74 1om2 h LEU 30 Ca 0.01 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 1om2 h LEU 30 Cb 0.84 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1om2 h LEU 30 CO 0.06 0.80 -0.40 -0.07 0.09 0.00 0.00 178.44 178.92 1om2 h LEU 31 N 1.12 0.00 -2.62 1.67 4.07 -0.86 0.12 115.31 118.81 1om2 h LEU 31 Ca 0.28 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.24 1om2 h LEU 31 Cb 0.03 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.77 1om2 h LEU 31 CO -0.04 0.40 0.00 0.00 -1.08 0.00 0.00 178.44 177.72 1om2 h ALA 32 N 1.60 1.00 0.10 1.53 0.00 0.63 -0.75 119.26 123.36 1om2 h ALA 32 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.54 1om2 h ALA 32 Cb 0.75 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1om2 h ALA 32 CO 0.05 0.00 -2.10 0.94 0.00 0.00 0.00 179.25 178.15 1om2 n GLN 33 N -3.03 0.74 0.00 0.00 7.27 -0.02 -5.01 117.38 117.32 1om2 n GLN 33 Ca -0.02 0.24 0.00 0.00 0.07 0.00 0.00 57.00 57.29 1om2 n GLN 33 Cb 0.11 -1.67 0.00 0.00 2.41 0.00 0.00 30.24 31.09 1om2 n GLN 33 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1om2 n GLY 34 N 2.05 0.95 2.40 1.69 0.00 0.21 -5.07 105.19 107.41 1om2 n GLY 34 Ca -0.35 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.38 1om2 n GLY 34 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1om2 n ASP 35 N 0.00 6.93 -0.34 1.61 -0.08 -0.47 -4.70 116.55 119.49 1om2 n ASP 35 Ca 0.00 -3.02 0.19 0.00 -1.51 0.00 0.00 54.79 50.45 1om2 n ASP 35 Cb 0.00 -1.33 0.41 0.00 2.34 0.00 0.00 41.12 42.55 1om2 n ASP 35 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 1om2 h TYR 36 N 3.63 0.95 -0.57 -0.67 0.05 -1.88 0.65 116.97 119.13 1om2 h TYR 36 Ca 0.49 0.03 0.04 0.00 0.05 0.00 0.00 58.73 59.34 1om2 h TYR 36 Cb 0.69 -0.27 -0.04 0.00 1.01 0.00 0.00 36.73 38.11 1om2 h TYR 36 CO 1.59 0.05 0.32 0.93 -1.05 0.00 0.00 178.16 180.00 1om2 h GLU 37 N 0.53 0.60 -0.07 4.88 4.39 -1.99 -1.38 114.58 121.54 1om2 h GLU 37 Ca 0.64 -0.04 -0.17 0.00 0.34 0.00 0.00 59.36 60.14 1om2 h GLU 37 Cb 1.31 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.82 1om2 h GLU 37 CO -0.45 0.40 -0.68 0.87 -1.16 0.00 0.00 179.01 177.99 1om2 h LYS 38 N 0.62 0.31 -0.92 2.33 1.79 -1.35 -3.12 116.57 116.22 1om2 h LYS 38 Ca 0.24 -0.24 0.13 0.00 -2.18 0.00 0.00 60.65 58.60 1om2 h LYS 38 Cb 0.09 0.04 -0.09 0.00 -1.58 0.00 0.00 32.23 30.70 1om2 h LYS 38 CO -0.14 0.87 0.54 0.78 -1.08 0.00 0.00 179.45 180.43 1om2 h GLY 39 N 1.44 1.50 0.93 3.86 0.00 -0.02 0.37 103.07 111.14 1om2 h GLY 39 Ca -0.02 -0.35 0.02 0.00 0.00 0.00 0.00 47.33 46.98 1om2 h GLY 39 CO 0.11 0.09 0.33 -2.08 0.00 0.00 0.00 176.54 174.99 1om2 h VAL 40 N 0.84 1.09 0.32 4.60 2.07 -1.25 0.24 116.25 124.15 1om2 h VAL 40 Ca 0.47 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.75 1om2 h VAL 40 Cb 0.53 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1om2 h VAL 40 CO -0.29 0.12 -0.15 -0.78 0.02 0.00 0.00 177.57 176.49 1om2 h ASP 41 N 0.66 -0.36 -0.19 0.57 3.58 -1.26 0.98 116.42 120.40 1om2 h ASP 41 Ca 0.20 -0.11 -0.03 0.00 0.42 0.00 0.00 57.03 57.51 1om2 h ASP 41 Cb -0.02 0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.11 1om2 h ASP 41 CO -0.07 -0.09 0.04 0.45 -2.88 0.00 0.00 179.24 176.69 1om2 h HIS 42 N -0.63 0.40 -0.08 0.28 3.86 -0.85 -0.80 115.15 117.33 1om2 h HIS 42 Ca -0.04 -0.02 -0.13 0.00 -1.16 0.00 0.00 60.37 59.01 1om2 h HIS 42 Cb 0.45 -0.12 0.01 0.00 1.06 0.00 0.00 27.41 28.81 1om2 h HIS 42 CO -0.00 0.38 -0.46 1.25 0.86 0.00 0.00 177.93 179.95 1om2 h LEU 43 N 0.39 0.55 -1.12 2.43 5.85 -0.47 -2.84 115.31 120.10 1om2 h LEU 43 Ca 0.09 -0.66 0.22 0.00 0.84 0.00 0.00 57.88 58.38 1om2 h LEU 43 Cb 0.19 -0.16 -0.11 0.00 0.37 0.00 0.00 40.66 40.96 1om2 h LEU 43 CO -0.00 1.12 0.62 0.74 -0.34 0.00 0.00 178.44 180.57 1om2 h THR 44 N 0.02 0.62 -0.27 1.05 2.02 0.29 0.19 112.91 116.84 1om2 h THR 44 Ca -0.03 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 1om2 h THR 44 Cb 1.11 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 1om2 h THR 44 CO 0.09 0.11 0.12 0.78 0.37 0.00 0.00 175.52 176.99 1om2 h ASN 45 N 0.61 0.37 -0.49 4.18 2.35 -1.10 -0.15 115.58 121.35 1om2 h ASN 45 Ca 0.59 -0.15 0.07 0.00 -0.55 0.00 0.00 56.30 56.26 1om2 h ASN 45 Cb 1.14 -0.09 -0.06 0.00 0.05 0.00 0.00 38.32 39.35 1om2 h ASN 45 CO -0.37 0.42 0.16 0.00 -1.65 0.00 0.00 177.43 175.98 1om2 h ALA 46 N 0.96 0.59 -0.43 -0.83 0.00 -0.42 -0.50 119.26 118.63 1om2 h ALA 46 Ca 0.09 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1om2 h ALA 46 Cb 0.16 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1om2 h ALA 46 CO -0.01 -0.24 0.09 0.82 0.00 0.00 0.00 179.25 179.91 1om2 h ILE 47 N 0.32 1.20 -0.12 0.00 5.03 -0.93 -0.24 117.51 122.76 1om2 h ILE 47 Ca 0.24 -0.73 -0.04 0.00 -0.12 0.00 0.00 64.86 64.21 1om2 h ILE 47 Cb 0.27 0.78 -0.01 0.00 -3.03 0.00 0.00 36.82 34.82 1om2 h ILE 47 CO -0.26 0.26 -0.13 0.00 -0.68 0.00 0.00 178.15 177.34 1om2 h ALA 48 N 1.47 1.56 0.00 1.87 0.00 0.58 0.57 119.26 125.31 1om2 h ALA 48 Ca 0.14 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1om2 h ALA 48 Cb 0.27 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1om2 h ALA 48 CO -0.00 0.32 -1.60 1.33 0.00 0.00 0.00 179.25 179.30 1om2 n VAL 49 N -4.29 0.03 -0.09 0.00 0.24 -0.76 -4.54 118.33 108.92 1om2 n VAL 49 Ca -0.01 -0.33 -0.17 0.00 -2.04 0.00 0.00 64.34 61.80 1om2 n VAL 49 Cb 0.25 0.32 -0.10 0.00 -1.47 0.00 0.00 33.84 32.85 1om2 n VAL 49 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1om2 n GLY 51 N 1.51 0.86 2.37 0.00 0.00 0.16 -4.91 105.19 105.19 1om2 n GLY 51 Ca -0.23 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.56 1om2 n GLY 51 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1om2 n GLN 52 N -2.25 1.63 0.12 1.61 -0.06 -1.26 -4.99 117.38 112.18 1om2 n GLN 52 Ca 0.00 -3.88 -0.13 0.00 -2.00 0.00 0.00 57.00 50.99 1om2 n GLN 52 Cb 0.00 -1.76 -0.06 0.00 -4.06 0.00 0.00 30.24 24.36 1om2 n GLN 52 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 1om2 h PRO 53 N 3.60 -0.53 -0.83 3.69 0.13 -1.91 -2.99 132.00 133.16 1om2 h PRO 53 Ca 0.12 0.04 0.13 0.00 -0.87 0.00 0.00 66.00 65.41 1om2 h PRO 53 Cb 0.79 0.12 -0.09 0.00 0.13 0.00 0.00 31.00 31.95 1om2 h PRO 53 CO 0.62 -0.35 0.44 1.96 -0.23 0.00 0.00 178.00 180.44 1om2 h GLN 54 N -0.55 0.65 -0.24 0.86 4.20 -1.97 0.45 115.11 118.50 1om2 h GLN 54 Ca 0.03 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 1om2 h GLN 54 Cb 0.58 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 1om2 h GLN 54 CO -0.18 0.43 0.10 0.37 -0.67 0.00 0.00 178.83 178.88 1om2 h GLN 55 N 0.67 0.35 -0.60 1.46 5.75 -1.98 -1.02 115.11 119.74 1om2 h GLN 55 Ca 0.44 -0.06 -0.03 0.00 -0.15 0.00 0.00 58.65 58.85 1om2 h GLN 55 Cb 0.56 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 29.02 1om2 h GLN 55 CO -0.33 0.38 0.27 1.25 -2.65 0.00 0.00 178.83 177.75 1om2 h LEU 56 N 0.24 0.77 -1.04 -2.39 5.85 -1.14 -1.72 115.31 115.89 1om2 h LEU 56 Ca 0.08 -0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 1om2 h LEU 56 Cb 0.16 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1om2 h LEU 56 CO -0.01 0.67 -0.00 -0.07 -0.34 0.00 0.00 178.44 178.69 1om2 h LEU 57 N 0.85 0.65 0.02 2.25 3.38 0.49 0.30 115.31 123.25 1om2 h LEU 57 Ca 0.21 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1om2 h LEU 57 Cb 0.12 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1om2 h LEU 57 CO -0.02 0.72 -0.01 -0.61 0.09 0.00 0.00 178.44 178.61 1om2 h GLN 58 N 0.64 -0.02 -0.81 1.13 4.15 -0.60 0.30 115.11 119.90 1om2 h GLN 58 Ca 0.13 0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.62 1om2 h GLN 58 Cb 0.41 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.04 1om2 h GLN 58 CO 0.02 0.17 0.49 -0.24 -1.93 0.00 0.00 178.83 177.33 1om2 h VAL 59 N -0.21 0.99 0.00 2.39 3.04 -0.72 -0.12 116.25 121.63 1om2 h VAL 59 Ca -0.00 -0.30 -0.10 0.00 -1.01 0.00 0.00 66.70 65.29 1om2 h VAL 59 Cb 0.20 0.05 -0.01 0.00 -2.01 0.00 0.00 31.29 29.51 1om2 h VAL 59 CO 0.00 0.16 -0.49 0.25 -1.01 0.00 0.00 177.57 176.48 1om2 h LEU 60 N 0.87 0.00 0.01 3.16 5.85 -0.30 -2.66 115.31 122.24 1om2 h LEU 60 Ca 0.37 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.81 1om2 h LEU 60 Cb 0.22 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 1om2 h LEU 60 CO -0.19 0.49 -1.54 -0.61 -0.34 0.00 0.00 178.44 176.25 1om2 h GLN 61 N 0.00 0.03 0.00 1.25 4.15 0.08 -3.24 115.11 117.38 1om2 h GLN 61 Ca -0.00 -0.05 -0.10 0.00 0.77 0.00 0.00 58.65 59.27 1om2 h GLN 61 Cb 1.38 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 29.07 1om2 h GLN 61 CO 0.06 0.68 -0.77 -0.56 -1.93 0.00 0.00 178.83 176.32 1om2 h GLN 62 N 0.01 0.00 0.20 1.69 -0.00 -1.10 -3.33 115.11 112.57 1om2 h GLN 62 Ca -0.22 0.00 -0.31 0.00 -0.00 0.00 0.00 58.65 58.11 1om2 h GLN 62 Cb 1.96 0.00 0.03 0.00 -0.00 0.00 0.00 27.48 29.47 1om2 h GLN 62 CO 0.10 0.31 -1.38 0.00 -0.00 0.00 0.00 178.83 177.86 1om2 h THR 63 N 0.00 1.34 -2.68 1.86 1.03 -1.62 -3.48 112.91 109.36 1om2 h THR 63 Ca -0.05 -2.74 -0.08 0.00 -0.01 0.00 0.00 66.41 63.53 1om2 h THR 63 Cb 1.34 2.95 -0.18 0.00 -1.07 0.00 0.00 68.15 71.19 1om2 h THR 63 CO 0.04 0.82 -0.03 -0.76 -0.01 0.00 0.00 175.52 175.58 1om2 s LEU 64 N -7.54 0.10 -0.12 0.00 1.43 -1.22 -5.11 118.68 106.23 1om2 s LEU 64 Ca -0.08 0.26 -0.29 0.00 -1.03 0.00 0.00 54.13 52.99 1om2 s LEU 64 Cb 0.05 1.94 -0.04 0.00 0.03 0.00 0.00 46.19 48.17 1om2 s LEU 64 CO 0.93 -0.61 1.57 -2.16 0.23 0.00 0.00 176.35 176.31 1om2 s PRO 65 N -1.83 4.09 -0.66 1.29 0.04 -1.26 -4.11 135.00 132.55 1om2 s PRO 65 Ca -0.09 1.95 -0.20 0.00 0.04 0.00 0.00 61.00 62.70 1om2 s PRO 65 Cb -0.02 -3.96 0.10 0.00 0.04 0.00 0.00 34.50 30.67 1om2 s PRO 65 CO 0.03 -0.94 0.83 -1.25 0.04 0.00 0.00 177.00 175.71 1om2 s PRO 66 N 4.10 3.15 0.47 0.56 0.04 -1.26 -4.90 135.00 137.17 1om2 s PRO 66 Ca 0.69 -1.27 0.30 0.00 0.04 0.00 0.00 61.00 60.76 1om2 s PRO 66 Cb -0.29 -4.34 1.10 0.00 0.04 0.00 0.00 34.50 31.01 1om2 s PRO 66 CO 0.26 -1.64 1.87 -1.00 0.04 0.00 0.00 177.00 176.53 1om2 h PRO 67 N 9.20 0.00 0.00 0.56 0.13 -1.99 -3.12 132.00 136.78 1om2 h PRO 67 Ca -0.22 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.86 1om2 h PRO 67 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1om2 h PRO 67 CO 1.11 0.00 -0.19 0.28 -0.23 0.00 0.00 178.00 178.97 1om2 h VAL 68 N 0.00 1.57 -0.84 1.56 2.07 -1.92 -3.26 116.25 115.43 1om2 h VAL 68 Ca 0.00 -1.94 0.17 0.00 0.82 0.00 0.00 66.70 65.74 1om2 h VAL 68 Cb 0.59 2.82 -0.16 0.00 -1.52 0.00 0.00 31.29 33.02 1om2 h VAL 68 CO 0.00 0.52 -0.22 0.15 0.02 0.00 0.00 177.57 178.04 1om2 h PHE 69 N -0.58 -0.48 -0.09 1.57 3.57 -1.96 0.47 116.94 119.44 1om2 h PHE 69 Ca -0.02 0.08 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 1om2 h PHE 69 Cb 0.96 0.34 -0.01 0.00 2.79 0.00 0.00 35.95 40.04 1om2 h PHE 69 CO 0.19 -0.37 -0.07 -0.56 -2.23 0.00 0.00 178.31 175.27 1om2 h GLN 70 N -0.01 0.13 0.03 1.11 3.07 -1.65 -0.60 115.11 117.18 1om2 h GLN 70 Ca 0.40 -0.02 -0.22 0.00 0.09 0.00 0.00 58.65 58.89 1om2 h GLN 70 Cb 0.61 -0.02 -0.00 0.00 0.08 0.00 0.00 27.48 28.15 1om2 h GLN 70 CO -0.87 0.21 -0.98 0.52 0.09 0.00 0.00 178.83 177.80 1om2 h MET 71 N 0.13 0.28 -0.70 0.06 2.86 -0.39 -2.85 114.93 114.31 1om2 h MET 71 Ca 0.03 -0.34 0.09 0.00 -2.06 0.00 0.00 59.70 57.42 1om2 h MET 71 Cb 0.21 0.11 -0.07 0.00 0.06 0.00 0.00 31.60 31.90 1om2 h MET 71 CO 0.01 1.07 0.34 1.25 1.06 0.00 0.00 176.91 180.64 1om2 h LEU 72 N 0.14 0.44 -1.78 1.22 6.46 0.12 0.52 115.31 122.43 1om2 h LEU 72 Ca -0.07 0.06 -0.03 0.00 -0.12 0.00 0.00 57.88 57.72 1om2 h LEU 72 Cb 1.64 -0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 41.56 1om2 h LEU 72 CO 0.16 0.25 -0.16 -0.07 -0.62 0.00 0.00 178.44 178.00 1om2 h LEU 73 N 0.58 0.00 0.00 2.25 3.38 -1.17 -0.80 115.31 119.55 1om2 h LEU 73 Ca 0.35 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.29 1om2 h LEU 73 Cb 0.37 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1om2 h LEU 73 CO -0.27 0.16 -1.21 1.07 0.09 0.00 0.00 178.44 178.28 1om2 n THR 74 N -3.82 0.60 0.07 0.22 5.66 0.47 -4.21 114.28 113.27 1om2 n THR 74 Ca -0.02 -0.56 -0.20 0.00 -3.05 0.00 0.00 64.05 60.22 1om2 n THR 74 Cb 0.26 -0.34 -0.15 0.00 -1.55 0.00 0.00 70.33 68.56 1om2 n THR 74 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 1om2 h LYS 75 N 0.00 0.32 0.12 1.09 1.63 0.35 -3.38 116.57 116.70 1om2 h LYS 75 Ca -0.02 -0.55 0.01 0.00 -0.85 0.00 0.00 60.65 59.24 1om2 h LYS 75 Cb 1.08 0.20 -0.04 0.00 -0.60 0.00 0.00 32.23 32.87 1om2 h LYS 75 CO 0.01 1.20 -0.49 -0.07 -3.45 0.00 0.00 179.45 176.65 1om2 h LEU 76 N 0.09 -1.49-10.48 5.20 3.38 -1.33 -3.43 115.31 107.25 1om2 h LEU 76 Ca -0.29 0.16 -0.45 0.00 0.09 0.00 0.00 57.88 57.39 1om2 h LEU 76 Cb 2.06 0.55 0.15 0.00 0.09 0.00 0.00 40.66 43.51 1om2 h LEU 76 CO 0.17 -0.52 0.26 -2.16 0.09 0.00 0.00 178.44 176.28 1om2 s PRO 77 N -5.57 0.42 0.00 1.13 0.04 -1.26 -5.02 135.00 124.75 1om2 s PRO 77 Ca -0.15 0.17 0.00 0.00 0.04 0.00 0.00 61.00 61.06 1om2 s PRO 77 Cb 0.06 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.83 1om2 s PRO 77 CO 0.56 -2.66 0.00 -2.37 0.04 0.00 0.00 177.00 172.57 1om2 n THR 78 N -4.06 0.00 -0.15 1.26 5.66 -1.26 -4.83 114.28 110.90 1om2 n THR 78 Ca 0.09 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 61.05 1om2 n THR 78 Cb 0.59 -0.45 0.04 0.00 -1.55 0.00 0.00 70.33 68.96 1om2 n THR 78 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 175.07 172.42 1om2 h ILE 79 N 0.00 0.57 -0.46 1.09 5.03 -1.99 -1.54 117.51 120.21 1om2 h ILE 79 Ca 0.00 -0.01 0.09 0.00 -0.12 0.00 0.00 64.86 64.82 1om2 h ILE 79 Cb 0.08 0.53 -0.08 0.00 -3.03 0.00 0.00 36.82 34.31 1om2 h ILE 79 CO 0.00 0.01 -0.03 0.28 -0.68 0.00 0.00 178.15 177.72 1om2 h SER 80 N 0.04 -0.27 -0.95 1.72 0.02 -1.99 -0.67 113.55 111.46 1om2 h SER 80 Ca 0.23 0.12 0.01 0.00 -0.84 0.00 0.00 61.79 61.31 1om2 h SER 80 Cb 0.35 0.22 -0.05 0.00 0.14 0.00 0.00 62.40 63.07 1om2 h SER 80 CO -0.45 -0.09 0.63 1.56 -1.14 0.00 0.00 176.83 177.34 1om2 h GLN 81 N 0.08 1.25 -0.70 3.45 7.50 -1.64 -2.33 115.11 122.72 1om2 h GLN 81 Ca 0.23 -0.08 -0.06 0.00 0.50 0.00 0.00 58.65 59.24 1om2 h GLN 81 Cb 0.35 -0.28 -0.03 0.00 0.05 0.00 0.00 27.48 27.57 1om2 h GLN 81 CO -0.42 0.83 0.21 -0.09 -1.50 0.00 0.00 178.83 177.86 1om2 h ARG 82 N 1.29 1.10 0.25 1.46 2.43 -0.24 -0.31 114.38 120.35 1om2 h ARG 82 Ca 0.35 -0.24 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 1om2 h ARG 82 Cb -0.15 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.25 1om2 h ARG 82 CO -0.07 0.95 -0.12 0.82 -1.51 0.00 0.00 179.97 180.04 1om2 h ILE 83 N 1.04 0.77 -0.67 1.20 1.08 -0.78 -2.87 117.51 117.28 1om2 h ILE 83 Ca 0.22 -0.11 0.05 0.00 -0.39 0.00 0.00 64.86 64.64 1om2 h ILE 83 Cb 0.32 0.84 -0.05 0.00 -3.07 0.00 0.00 36.82 34.86 1om2 h ILE 83 CO -0.00 0.02 0.38 0.58 -0.69 0.00 0.00 178.15 178.44 1om2 h VAL 84 N -0.39 0.99 0.00 1.67 2.07 -1.35 0.68 116.25 119.93 1om2 h VAL 84 Ca -0.03 -0.24 -0.06 0.00 0.82 0.00 0.00 66.70 67.18 1om2 h VAL 84 Cb 0.30 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 1om2 h VAL 84 CO 0.06 0.13 -0.08 -1.20 0.02 0.00 0.00 177.57 176.50 1om2 n SER 85 N -4.77 4.19 0.05 0.57 7.64 -0.14 -3.17 113.62 118.00 1om2 n SER 85 Ca 0.08 -2.17 0.00 0.00 1.01 0.00 0.00 58.87 57.79 1om2 n SER 85 Cb 0.15 -0.98 0.00 0.00 -1.01 0.00 0.00 64.21 62.37 1om2 n SER 85 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1om2 n ALA 86 N 1.99 0.00 -1.15 -0.43 0.00 -1.02 -4.87 120.51 115.02 1om2 n ALA 86 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.25 1om2 n ALA 86 Cb 0.52 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.92 1om2 n ALA 86 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1om2 n GLN 87 N -2.63 3.14 0.00 0.00 7.27 0.20 -1.72 117.38 123.64 1om2 n GLN 87 Ca 0.00 -1.87 0.00 0.00 0.07 0.00 0.00 57.00 55.20 1om2 n GLN 87 Cb 0.00 -2.61 0.00 0.00 2.41 0.00 0.00 30.24 30.04 1om2 n GLN 87 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 1om2 n SER 88 N 3.52 0.00 -2.53 1.69 3.41 -1.25 -4.84 113.62 113.61 1om2 n SER 88 Ca 0.67 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.92 1om2 n SER 88 Cb 0.31 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.32 1om2 n SER 88 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1om2 n LEU 89 N 0.00 7.47 -4.72 1.04 4.77 -1.12 -5.02 117.00 119.41 1om2 n LEU 89 Ca 0.00 -4.53 -0.33 0.00 -0.03 0.00 0.00 56.01 51.13 1om2 n LEU 89 Cb 0.00 -0.97 0.11 0.00 -2.33 0.00 0.00 43.42 40.22 1om2 n LEU 89 CO 0.00 1.62 0.74 -0.83 -1.33 0.00 0.00 177.39 177.58 1om2 s GLY 90 N -1.67 2.00 0.54 -0.72 0.00 -0.70 -4.68 107.32 102.09 1om2 s GLY 90 Ca 0.59 0.63 -0.19 0.00 0.00 0.00 0.00 44.72 45.75 1om2 s GLY 90 CO -0.16 1.02 1.11 1.85 0.00 0.00 0.00 173.10 176.93 1om2 s GLU 91 N -4.34 3.40 0.29 2.90 2.12 -1.26 -5.07 118.70 116.73 1om2 s GLU 91 Ca 0.69 1.56 0.04 0.00 0.36 0.00 0.00 54.97 57.61 1om2 s GLU 91 Cb -0.24 -2.02 -0.06 0.00 0.26 0.00 0.00 34.13 32.08 1om2 s GLU 91 CO 0.50 -0.80 0.03 0.34 -0.54 0.00 0.00 175.26 174.79 1om2 s ASP 92 N -1.86 2.18 0.55 -1.70 2.15 -1.26 -5.17 116.67 111.56 1om2 s ASP 92 Ca 0.71 -1.31 0.01 0.00 0.43 0.00 0.00 52.55 52.40 1om2 s ASP 92 Cb -0.22 -0.05 0.03 0.00 -0.30 0.00 0.00 42.92 42.38 1om2 s ASP 92 CO 0.27 -0.55 0.78 -0.62 -0.17 0.00 0.00 175.17 174.87 1om2 s ASP 93 N -3.41 5.27 0.03 -0.34 2.15 -1.26 -5.13 116.67 113.98 1om2 s ASP 93 Ca 0.33 0.00 0.03 0.00 0.43 0.00 0.00 52.55 53.34 1om2 s ASP 93 Cb 0.07 -0.88 -0.02 0.00 -0.30 0.00 0.00 42.92 41.79 1om2 s ASP 93 CO 0.13 -1.15 -0.09 0.54 -0.17 0.00 0.00 175.17 174.43 1om2 s VAL 94 N -2.77 0.67 0.00 1.11 0.11 -1.26 -5.34 120.40 112.92 1om2 s VAL 94 Ca 0.57 -0.91 0.00 0.00 -2.93 0.00 0.00 61.98 58.71 1om2 s VAL 94 Cb -0.10 -0.67 0.00 0.00 -1.53 0.00 0.00 36.38 34.08 1om2 s VAL 94 CO 0.39 -0.20 0.00 1.21 -3.33 0.00 0.00 175.10 173.17