#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1st7 n SER 2 N 0.00 0.10 0.12 4.52 7.64 -1.26 -3.43 113.62 121.30 1st7 n SER 2 Ca 0.00 -0.69 -0.06 0.00 1.01 0.00 0.00 58.87 59.13 1st7 n SER 2 Cb 0.00 -0.10 -0.03 0.00 -1.01 0.00 0.00 64.21 63.07 1st7 n SER 2 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1st7 h GLN 3 N 0.14 -0.37 -0.21 1.43 1.08 -2.00 -3.16 115.11 112.03 1st7 h GLN 3 Ca 0.00 0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.20 1st7 h GLN 3 Cb 0.15 0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 1st7 h GLN 3 CO 0.00 -0.24 0.01 1.37 -0.95 0.00 0.00 178.83 179.02 1st7 h LEU 4 N -1.03 0.27 -0.24 1.46 -0.00 -1.93 -1.75 115.31 112.08 1st7 h LEU 4 Ca -0.04 -0.03 0.06 0.00 -0.00 0.00 0.00 57.88 57.87 1st7 h LEU 4 Cb 0.29 -0.07 -0.07 0.00 -0.00 0.00 0.00 40.66 40.81 1st7 h LEU 4 CO 0.06 0.31 -0.34 0.15 -0.00 0.00 0.00 178.44 178.63 1st7 h PHE 5 N 0.29 -0.93 0.00 0.17 3.57 -1.65 0.33 116.94 118.72 1st7 h PHE 5 Ca 0.07 0.05 -0.16 0.00 3.53 0.00 0.00 57.97 61.45 1st7 h PHE 5 Cb 0.18 0.45 -0.02 0.00 2.79 0.00 0.00 35.95 39.34 1st7 h PHE 5 CO 0.00 -0.40 -0.78 0.93 -2.23 0.00 0.00 178.31 175.84 1st7 h GLU 6 N -0.35 0.00 -0.36 1.11 5.08 -1.43 -0.46 114.58 118.17 1st7 h GLU 6 Ca 0.12 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 1st7 h GLU 6 Cb 0.55 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1st7 h GLU 6 CO -0.43 0.78 0.16 1.49 -1.00 0.00 0.00 179.01 180.01 1st7 h GLU 7 N 0.00 0.52 0.00 2.33 4.57 -0.79 -2.48 114.58 118.73 1st7 h GLU 7 Ca -0.01 -0.08 -0.17 0.00 -1.18 0.00 0.00 59.36 57.92 1st7 h GLU 7 Cb 1.47 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 29.94 1st7 h GLU 7 CO 0.10 0.48 -1.03 0.87 -1.18 0.00 0.00 179.01 178.25 1st7 h LYS 8 N 0.44 0.00 -0.02 1.92 6.56 -0.39 -3.28 116.57 121.80 1st7 h LYS 8 Ca 0.12 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.71 1st7 h LYS 8 Cb 0.14 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.80 1st7 h LYS 8 CO -0.01 0.54 -0.00 0.00 -2.06 0.00 0.00 179.45 177.91 1st7 h ALA 9 N 1.31 0.02 0.00 3.86 0.00 -0.99 -0.86 119.26 122.61 1st7 h ALA 9 Ca -0.09 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1st7 h ALA 9 Cb 1.60 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1st7 h ALA 9 CO 0.07 -0.29 0.00 0.87 0.00 0.00 0.00 179.25 179.90 1st7 h LYS 10 N -0.31 0.00 0.29 0.00 1.57 -1.61 0.15 116.57 116.66 1st7 h LYS 10 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1st7 h LYS 10 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1st7 h LYS 10 CO 0.00 0.00 -0.14 0.00 -0.57 0.00 0.00 179.45 178.74 1st7 h ALA 11 N 2.03 -0.47 -0.09 3.86 0.00 -1.54 -3.35 119.26 119.70 1st7 h ALA 11 Ca 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1st7 h ALA 11 Cb 0.20 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1st7 h ALA 11 CO 0.00 -0.45 -0.13 -0.39 0.00 0.00 0.00 179.25 178.28 1st7 h VAL 12 N -0.87 1.15 0.00 0.00 -1.51 -0.38 1.00 116.25 115.63 1st7 h VAL 12 Ca -0.04 -0.65 0.00 0.00 -1.23 0.00 0.00 66.70 64.78 1st7 h VAL 12 Cb 0.30 1.23 0.00 0.00 -2.13 0.00 0.00 31.29 30.68 1st7 h VAL 12 CO 0.07 0.20 0.00 0.59 -1.23 0.00 0.00 177.57 177.19 1st7 n ASN 13 N -4.32 0.03 -2.32 4.19 3.02 -0.03 -3.44 115.26 112.39 1st7 n ASN 13 Ca -0.01 0.51 0.00 0.00 -0.03 0.00 0.00 54.58 55.04 1st7 n ASN 13 Cb 0.24 -0.51 0.04 0.00 -0.61 0.00 0.00 39.78 38.94 1st7 n ASN 13 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1st7 n GLU 14 N -1.53 1.08 -1.31 3.52 2.13 0.06 -4.92 120.64 119.67 1st7 n GLU 14 Ca 0.04 -2.57 -0.29 0.00 0.66 0.00 0.00 57.16 55.01 1st7 n GLU 14 Cb 0.22 -0.71 0.15 0.00 0.27 0.00 0.00 31.44 31.37 1st7 n GLU 14 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1st7 s LEU 15 N -2.55 1.86 0.27 4.31 1.43 0.12 -4.95 118.68 119.17 1st7 s LEU 15 Ca 0.24 1.16 0.13 0.00 -1.03 0.00 0.00 54.13 54.64 1st7 s LEU 15 Cb 0.33 -3.44 0.24 0.00 0.03 0.00 0.00 46.19 43.35 1st7 s LEU 15 CO -0.08 -2.83 1.52 1.55 0.23 0.00 0.00 176.35 176.74 1st7 h PRO 16 N -1.69 0.00 -3.07 1.29 0.13 -1.87 -3.30 132.00 123.49 1st7 h PRO 16 Ca -0.52 0.00 -0.74 0.00 -0.87 0.00 0.00 66.00 63.87 1st7 h PRO 16 Cb 1.32 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 32.12 1st7 h PRO 16 CO 0.59 0.61 0.21 2.41 -0.23 0.00 0.00 178.00 181.58 1st7 n THR 17 N -3.45 3.93 -0.96 1.56 -1.04 -1.26 -5.06 114.28 108.00 1st7 n THR 17 Ca 0.00 -5.44 -0.32 0.00 -2.04 0.00 0.00 64.05 56.25 1st7 n THR 17 Cb 0.70 -2.29 0.14 0.00 -1.82 0.00 0.00 70.33 67.06 1st7 n THR 17 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1st7 s LYS 18 N -1.97 1.41 0.41 -2.82 1.02 -1.24 -4.71 119.74 111.84 1st7 s LYS 18 Ca 0.31 1.68 -0.25 0.00 0.02 0.00 0.00 55.97 57.73 1st7 s LYS 18 Cb -0.01 -1.76 -0.08 0.00 -0.52 0.00 0.00 37.83 35.46 1st7 s LYS 18 CO -0.03 -2.37 1.23 -2.14 -0.92 0.00 0.00 175.35 171.12 1st7 s PRO 19 N -4.34 3.96 0.44 -1.68 0.02 -1.26 -5.00 135.00 127.14 1st7 s PRO 19 Ca 0.71 1.98 -0.16 0.00 0.02 0.00 0.00 61.00 63.55 1st7 s PRO 19 Cb -0.26 -2.67 -0.09 0.00 0.02 0.00 0.00 34.50 31.50 1st7 s PRO 19 CO 0.53 -0.44 0.89 -1.12 -0.33 0.00 0.00 177.00 176.53 1st7 s SER 20 N -0.98 6.71 0.12 2.53 0.01 -1.26 -4.82 113.70 116.02 1st7 s SER 20 Ca 0.58 1.46 -0.26 0.00 1.31 0.00 0.00 55.95 59.04 1st7 s SER 20 Cb -0.34 -2.46 -0.05 0.00 0.21 0.00 0.00 66.02 63.38 1st7 s SER 20 CO 0.43 -0.43 1.63 0.74 0.41 0.00 0.00 173.24 176.03 1st7 h THR 21 N 1.39 0.41 0.00 1.44 2.02 -1.98 0.17 112.91 116.35 1st7 h THR 21 Ca -0.48 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.70 1st7 h THR 21 Cb 1.18 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 68.00 1st7 h THR 21 CO 0.62 0.00 0.00 0.47 0.37 0.00 0.00 175.52 176.98 1st7 n ASP 22 N -5.38 0.47 -0.08 4.18 8.00 -1.26 -2.39 116.55 120.09 1st7 n ASP 22 Ca -0.05 0.61 -0.10 0.00 0.71 0.00 0.00 54.79 55.96 1st7 n ASP 22 Cb 0.29 -0.71 -0.06 0.00 -0.02 0.00 0.00 41.12 40.62 1st7 n ASP 22 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1st7 h GLU 23 N 0.00 0.00 -0.94 -1.24 4.39 -1.76 -3.41 114.58 111.62 1st7 h GLU 23 Ca 0.00 0.00 0.27 0.00 0.34 0.00 0.00 59.36 59.97 1st7 h GLU 23 Cb 0.34 0.00 -0.17 0.00 -0.10 0.00 0.00 28.75 28.82 1st7 h GLU 23 CO 0.00 0.43 0.15 1.25 -1.16 0.00 0.00 179.01 179.68 1st7 h LEU 24 N -1.00 -0.23 -0.13 1.33 6.46 -0.62 -1.21 115.31 119.91 1st7 h LEU 24 Ca -0.11 0.25 0.04 0.00 -0.12 0.00 0.00 57.88 57.94 1st7 h LEU 24 Cb 0.73 0.38 -0.07 0.00 -0.73 0.00 0.00 40.66 40.98 1st7 h LEU 24 CO -0.07 -0.29 -0.40 -0.07 -0.62 0.00 0.00 178.44 176.99 1st7 h LEU 25 N 0.08 -1.24 -0.51 2.25 3.38 -1.73 0.34 115.31 117.88 1st7 h LEU 25 Ca 0.60 0.17 -0.16 0.00 0.09 0.00 0.00 57.88 58.58 1st7 h LEU 25 Cb 1.28 0.51 -0.01 0.00 0.09 0.00 0.00 40.66 42.54 1st7 h LEU 25 CO -0.81 -0.41 -0.60 -0.08 0.09 0.00 0.00 178.44 176.63 1st7 h GLU 26 N -0.47 0.48 -0.62 1.13 4.81 -1.62 -2.66 114.58 115.63 1st7 h GLU 26 Ca 0.08 -0.32 -0.06 0.00 -0.13 0.00 0.00 59.36 58.93 1st7 h GLU 26 Cb 0.61 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.01 1st7 h GLU 26 CO -0.39 0.94 0.15 -0.07 -0.73 0.00 0.00 179.01 178.90 1st7 h LEU 27 N 0.36 0.95 -0.34 1.64 -0.00 -1.01 -2.23 115.31 114.67 1st7 h LEU 27 Ca -0.00 -0.24 0.07 0.00 -0.00 0.00 0.00 57.88 57.71 1st7 h LEU 27 Cb 1.14 -0.25 -0.06 0.00 -0.00 0.00 0.00 40.66 41.49 1st7 h LEU 27 CO 0.11 0.94 -0.09 0.22 -0.00 0.00 0.00 178.44 179.62 1st7 h TYR 28 N 0.92 -0.18 -0.48 1.13 5.03 -0.32 -0.08 116.97 122.98 1st7 h TYR 28 Ca 0.20 0.03 0.07 0.00 2.58 0.00 0.00 58.73 61.61 1st7 h TYR 28 Cb 0.36 0.13 -0.06 0.00 1.55 0.00 0.00 36.73 38.72 1st7 h TYR 28 CO 0.03 -0.15 0.15 0.00 -1.32 0.00 0.00 178.16 176.87 1st7 h ALA 29 N 1.34 0.58 -0.01 1.82 0.00 -1.05 0.31 119.26 122.25 1st7 h ALA 29 Ca 0.16 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1st7 h ALA 29 Cb 0.25 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1st7 h ALA 29 CO -0.35 -0.25 -0.00 -0.07 0.00 0.00 0.00 179.25 178.58 1st7 h LEU 30 N 0.31 0.02 -0.26 0.00 4.07 -1.36 -0.42 115.31 117.67 1st7 h LEU 30 Ca 0.23 -0.33 0.06 0.00 0.08 0.00 0.00 57.88 57.93 1st7 h LEU 30 Cb 0.27 -0.01 -0.07 0.00 1.08 0.00 0.00 40.66 41.93 1st7 h LEU 30 CO -0.26 0.34 -0.21 0.22 -1.08 0.00 0.00 178.44 177.45 1st7 h TYR 31 N -0.31 -0.55 0.00 1.13 3.20 -0.57 -0.20 116.97 119.67 1st7 h TYR 31 Ca 0.00 0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.86 1st7 h TYR 31 Cb 0.33 0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.88 1st7 h TYR 31 CO 0.04 -0.29 -0.25 0.87 -1.64 0.00 0.00 178.16 176.89 1st7 h LYS 32 N -0.20 0.00 0.37 1.82 1.79 -0.46 -0.33 116.57 119.55 1st7 h LYS 32 Ca 0.14 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.60 1st7 h LYS 32 Cb 0.42 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 1st7 h LYS 32 CO -0.38 0.25 -0.18 1.96 -1.08 0.00 0.00 179.45 180.02 1st7 h GLN 33 N 0.00 -0.48 -0.02 3.15 1.08 0.72 -1.30 115.11 118.26 1st7 h GLN 33 Ca -0.00 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 1st7 h GLN 33 Cb 0.63 0.11 0.00 0.00 -0.05 0.00 0.00 27.48 28.16 1st7 h GLN 33 CO 0.03 -0.23 -0.01 0.00 -0.95 0.00 0.00 178.83 177.68 1st7 n ALA 34 N -2.40 2.54 0.18 3.87 0.00 -0.77 0.02 120.51 123.96 1st7 n ALA 34 Ca -0.10 -0.54 -0.09 0.00 0.00 0.00 0.00 53.44 52.71 1st7 n ALA 34 Cb 0.25 -1.02 -0.04 0.00 0.00 0.00 0.00 19.45 18.64 1st7 n ALA 34 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1st7 h THR 35 N 3.26 0.04 0.00 0.00 2.02 -1.10 -3.44 112.91 113.70 1st7 h THR 35 Ca 0.00 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 66.56 1st7 h THR 35 Cb 0.70 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1st7 h THR 35 CO 0.00 0.01 -0.21 0.58 0.37 0.00 0.00 175.52 176.27 1st7 h VAL 36 N -1.13 0.00 0.00 3.16 2.07 -1.26 -3.49 116.25 115.59 1st7 h VAL 36 Ca -0.05 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.66 1st7 h VAL 36 Cb 0.43 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 1st7 h VAL 36 CO 0.09 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.29 1st7 n GLY 37 N 1.73 0.33 3.25 2.17 0.00 0.10 -5.05 105.19 107.72 1st7 n GLY 37 Ca -0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.84 1st7 n GLY 37 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1st7 s ASP 38 N -2.04 1.86 0.03 1.61 1.11 -1.26 -4.61 116.67 113.37 1st7 s ASP 38 Ca 0.00 -0.96 -0.31 0.00 0.18 0.00 0.00 52.55 51.46 1st7 s ASP 38 Cb 0.00 -0.03 -0.09 0.00 1.07 0.00 0.00 42.92 43.87 1st7 s ASP 38 CO 0.00 -0.28 1.96 -0.46 1.18 0.00 0.00 175.17 177.57 1st7 n ASN 39 N -0.02 4.08 0.00 0.27 2.04 -0.37 -4.83 115.26 116.43 1st7 n ASN 39 Ca -0.11 0.92 0.00 0.00 -0.44 0.00 0.00 54.58 54.94 1st7 n ASN 39 Cb 0.60 -1.51 0.00 0.00 -2.53 0.00 0.00 39.78 36.34 1st7 n ASN 39 CO 0.00 0.00 0.00 -0.67 -0.44 0.00 0.00 177.26 176.15 1st7 n ASP 40 N 7.29 0.00 -4.57 0.53 2.03 -1.26 -4.82 116.55 115.75 1st7 n ASP 40 Ca 0.20 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 55.11 1st7 n ASP 40 Cb 0.39 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.77 1st7 n ASP 40 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1st7 s LYS 41 N 0.00 3.60 0.00 -0.67 1.02 -1.26 -4.85 119.74 117.59 1st7 s LYS 41 Ca 0.00 -1.34 -0.05 0.00 0.02 0.00 0.00 55.97 54.60 1st7 s LYS 41 Cb 0.00 -5.39 -0.23 0.00 -0.52 0.00 0.00 37.83 31.69 1st7 s LYS 41 CO 0.00 -2.37 3.27 -1.91 -0.92 0.00 0.00 175.35 173.42 1st7 n GLU 42 N 8.72 1.78 -3.06 1.68 2.13 -1.26 -3.86 120.64 126.76 1st7 n GLU 42 Ca 0.39 -0.84 -0.01 0.00 0.66 0.00 0.00 57.16 57.37 1st7 n GLU 42 Cb 0.49 -1.87 -0.00 0.00 0.27 0.00 0.00 31.44 30.33 1st7 n GLU 42 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1st7 s LYS 43 N 1.01 0.89 0.73 5.31 2.20 -1.26 -5.15 119.74 123.47 1st7 s LYS 43 Ca 0.56 -0.51 -0.11 0.00 -0.36 0.00 0.00 55.97 55.55 1st7 s LYS 43 Cb 0.27 0.05 0.03 0.00 -1.51 0.00 0.00 37.83 36.67 1st7 s LYS 43 CO 0.00 -1.22 1.07 -1.25 -0.36 0.00 0.00 175.35 173.60 1st7 s PRO 44 N 1.54 2.64 0.00 4.03 0.04 -1.25 -5.05 135.00 136.95 1st7 s PRO 44 Ca 0.20 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.30 1st7 s PRO 44 Cb -0.03 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.56 1st7 s PRO 44 CO -0.07 -1.33 0.00 0.41 0.04 0.00 0.00 177.00 176.05 1st7 n GLY 45 N -1.64 -1.16 0.14 0.56 0.00 -1.26 -4.93 105.19 96.90 1st7 n GLY 45 Ca 0.08 -1.57 -0.29 0.00 0.00 0.00 0.00 46.02 44.24 1st7 n GLY 45 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1st7 n ILE 46 N -0.33 1.52 1.22 -0.61 -5.35 -1.26 -4.16 119.36 110.40 1st7 n ILE 46 Ca 0.00 -0.37 0.13 0.00 -0.27 0.00 0.00 62.75 62.24 1st7 n ILE 46 Cb 0.00 -1.90 0.29 0.00 -1.74 0.00 0.00 39.64 36.29 1st7 n ILE 46 CO 0.00 0.00 0.00 2.22 -1.76 0.00 0.00 176.55 177.01 1st7 n PHE 47 N -4.25 0.00 -1.57 4.28 1.16 -1.26 -4.84 117.46 110.98 1st7 n PHE 47 Ca -0.53 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 54.63 1st7 n PHE 47 Cb 0.87 -0.02 -0.01 0.00 -1.61 0.00 0.00 39.48 38.71 1st7 n PHE 47 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 1st7 n ASN 48 N 0.37 3.59 -0.16 5.98 4.13 -1.26 -4.78 115.26 123.13 1st7 n ASN 48 Ca 0.15 -2.79 -0.03 0.00 1.68 0.00 0.00 54.58 53.59 1st7 n ASN 48 Cb 0.45 -1.52 0.07 0.00 -1.54 0.00 0.00 39.78 37.24 1st7 n ASN 48 CO 0.00 0.00 0.00 0.24 0.28 0.00 0.00 177.26 177.78 1st7 h MET 49 N 6.47 0.31 -0.44 3.52 2.86 -1.90 -0.35 114.93 125.41 1st7 h MET 49 Ca 0.54 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 58.15 1st7 h MET 49 Cb 0.64 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.21 1st7 h MET 49 CO 1.91 0.21 0.24 0.87 1.06 0.00 0.00 176.91 181.19 1st7 h LYS 50 N 0.32 0.61 -0.77 1.72 1.57 -1.99 -0.41 116.57 117.62 1st7 h LYS 50 Ca 0.25 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 1st7 h LYS 50 Cb 0.29 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 1st7 h LYS 50 CO -0.27 0.49 0.44 -0.44 -0.57 0.00 0.00 179.45 179.10 1st7 h ASP 51 N 0.57 0.94 -0.84 0.86 3.32 -1.86 -1.05 116.42 118.37 1st7 h ASP 51 Ca 0.15 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.09 1st7 h ASP 51 Cb 0.06 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.34 1st7 h ASP 51 CO -0.02 0.75 0.40 0.03 -1.72 0.00 0.00 179.24 178.68 1st7 h ARG 52 N 1.05 1.21 0.24 3.56 3.08 -0.79 -0.25 114.38 122.48 1st7 h ARG 52 Ca 0.27 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 1st7 h ARG 52 Cb -0.00 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 29.83 1st7 h ARG 52 CO -0.05 0.93 -0.11 1.88 -1.07 0.00 0.00 179.97 181.55 1st7 h TYR 53 N 1.19 -0.30 -0.03 3.04 0.05 -0.86 -2.64 116.97 117.43 1st7 h TYR 53 Ca 0.29 -0.01 -0.10 0.00 0.05 0.00 0.00 58.73 58.96 1st7 h TYR 53 Cb 0.12 0.10 -0.01 0.00 1.01 0.00 0.00 36.73 37.94 1st7 h TYR 53 CO 0.01 -0.11 -0.47 1.57 -1.05 0.00 0.00 178.16 178.11 1st7 h LYS 54 N -0.42 0.06 -0.09 4.88 2.10 -1.07 -1.00 116.57 121.02 1st7 h LYS 54 Ca -0.03 -0.03 -0.14 0.00 -2.00 0.00 0.00 60.65 58.45 1st7 h LYS 54 Cb 0.32 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.64 1st7 h LYS 54 CO 0.05 0.52 -0.54 2.35 -2.00 0.00 0.00 179.45 179.84 1st7 h TRP 55 N 0.05 0.34 -0.23 0.07 7.01 -1.10 -1.60 115.95 120.47 1st7 h TRP 55 Ca -0.00 -0.12 -0.11 0.00 2.11 0.00 0.00 58.89 60.77 1st7 h TRP 55 Cb 0.86 -0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 27.84 1st7 h TRP 55 CO 0.00 0.75 -0.34 0.93 -2.79 0.00 0.00 178.44 177.00 1st7 h GLU 56 N 0.21 0.49 0.00 2.65 5.08 -1.07 0.06 114.58 122.00 1st7 h GLU 56 Ca 0.00 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.08 1st7 h GLU 56 Cb 1.02 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 1st7 h GLU 56 CO 0.09 0.77 -0.29 0.00 -1.00 0.00 0.00 179.01 178.58 1st7 h ALA 57 N 1.22 1.36 0.18 3.43 0.00 -0.92 -2.36 119.26 122.17 1st7 h ALA 57 Ca 0.05 -0.26 -0.31 0.00 0.00 0.00 0.00 54.91 54.39 1st7 h ALA 57 Cb 0.79 -0.05 0.03 0.00 0.00 0.00 0.00 17.79 18.57 1st7 h ALA 57 CO 0.06 0.36 -1.35 2.35 0.00 0.00 0.00 179.25 180.68 1st7 h TRP 58 N 0.00 0.92 0.00 0.00 7.01 -0.99 -3.26 115.95 119.63 1st7 h TRP 58 Ca -0.00 -0.63 0.00 0.00 2.11 0.00 0.00 58.89 60.37 1st7 h TRP 58 Cb 0.56 -0.05 0.00 0.00 -2.10 0.00 0.00 29.16 27.57 1st7 h TRP 58 CO 0.00 1.48 0.00 -1.91 -2.79 0.00 0.00 178.44 175.22 1st7 n GLU 59 N -3.72 0.16 0.16 2.65 0.00 -0.02 -0.55 120.64 119.32 1st7 n GLU 59 Ca -0.14 0.49 0.13 0.00 0.00 0.00 0.00 57.16 57.64 1st7 n GLU 59 Cb 1.04 -1.88 0.47 0.00 0.00 0.00 0.00 31.44 31.07 1st7 n GLU 59 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 1st7 h ASN 60 N 0.00 0.00 0.00 4.31 2.35 -1.47 -3.31 115.58 117.46 1st7 h ASN 60 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1st7 h ASN 60 Cb 0.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.60 1st7 h ASN 60 CO 0.00 0.00 -0.92 0.18 -1.65 0.00 0.00 177.43 175.04 1st7 n LEU 61 N -2.52 0.24 -0.23 1.61 4.77 0.28 -4.97 117.00 116.18 1st7 n LEU 61 Ca 0.03 -0.27 0.18 0.00 -0.03 0.00 0.00 56.01 55.93 1st7 n LEU 61 Cb 0.34 0.00 0.29 0.00 -2.33 0.00 0.00 43.42 41.72 1st7 n LEU 61 CO 0.26 0.06 0.53 2.29 -1.33 0.00 0.00 177.39 179.20 1st7 n LYS 62 N -1.52 -0.01 -0.25 3.23 -0.00 -0.62 -0.72 118.16 118.28 1st7 n LYS 62 Ca 0.00 0.45 0.00 0.00 -0.00 0.00 0.00 58.31 58.76 1st7 n LYS 62 Cb 0.20 -0.96 0.00 0.00 -0.00 0.00 0.00 35.03 34.27 1st7 n LYS 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1st7 n GLY 63 N -1.28 -0.81 0.55 2.58 0.00 -1.26 -1.24 105.19 103.73 1st7 n GLY 63 Ca 0.17 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.15 1st7 n GLY 63 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1st7 n LYS 64 N 0.00 0.23 -0.99 1.61 4.81 0.11 -4.84 118.16 119.08 1st7 n LYS 64 Ca 0.00 0.09 -0.16 0.00 -0.87 0.00 0.00 58.31 57.37 1st7 n LYS 64 Cb 0.58 -0.87 -0.01 0.00 0.02 0.00 0.00 35.03 34.76 1st7 n LYS 64 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1st7 n SER 65 N -3.77 6.20 0.06 3.14 7.64 -0.90 -3.03 113.62 122.96 1st7 n SER 65 Ca -0.06 -2.95 -0.16 0.00 1.01 0.00 0.00 58.87 56.71 1st7 n SER 65 Cb 0.22 -1.15 -0.07 0.00 -1.01 0.00 0.00 64.21 62.21 1st7 n SER 65 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1st7 h GLN 66 N 1.92 0.52 0.00 1.43 4.15 -1.83 0.14 115.11 121.43 1st7 h GLN 66 Ca 0.26 -0.56 -0.06 0.00 0.77 0.00 0.00 58.65 59.06 1st7 h GLN 66 Cb 0.94 0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.78 1st7 h GLN 66 CO 0.63 1.19 -0.28 0.93 -1.93 0.00 0.00 178.83 179.38 1st7 h GLU 67 N 0.29 0.00 0.03 1.69 5.08 -1.93 -1.38 114.58 118.36 1st7 h GLU 67 Ca -0.10 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.07 1st7 h GLU 67 Cb 1.63 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.86 1st7 h GLU 67 CO 0.18 0.28 -1.04 -0.44 -1.00 0.00 0.00 179.01 176.99 1st7 h ASP 68 N 0.00 0.09 -0.74 1.42 3.32 -1.79 -3.40 116.42 115.32 1st7 h ASP 68 Ca -0.00 -0.70 0.07 0.00 0.02 0.00 0.00 57.03 56.42 1st7 h ASP 68 Cb 0.64 -0.03 -0.10 0.00 0.22 0.00 0.00 39.33 40.05 1st7 h ASP 68 CO 0.04 1.42 -0.57 0.00 -1.72 0.00 0.00 179.24 178.41 1st7 h ALA 69 N -0.28 -0.62 -1.12 3.45 0.00 -0.27 0.15 119.26 120.57 1st7 h ALA 69 Ca -0.27 0.07 0.33 0.00 0.00 0.00 0.00 54.91 55.04 1st7 h ALA 69 Cb 1.35 1.25 -0.04 0.00 0.00 0.00 0.00 17.79 20.35 1st7 h ALA 69 CO -0.10 -0.99 0.85 1.05 0.00 0.00 0.00 179.25 180.05 1st7 h GLU 70 N -0.17 0.00 0.00 0.00 4.11 -1.51 0.25 114.58 117.25 1st7 h GLU 70 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.56 1st7 h GLU 70 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1st7 h GLU 70 CO -0.79 0.00 -0.42 0.87 0.07 0.00 0.00 179.01 178.74 1st7 h LYS 71 N 0.00 0.00 0.00 1.06 1.57 -1.36 -0.19 116.57 117.66 1st7 h LYS 71 Ca 0.53 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.31 1st7 h LYS 71 Cb 2.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.53 1st7 h LYS 71 CO -0.01 0.00 0.00 0.93 -0.57 0.00 0.00 179.45 179.80 1st7 h GLU 72 N -0.88 0.00 0.17 3.15 5.08 -0.67 -3.09 114.58 118.33 1st7 h GLU 72 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1st7 h GLU 72 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1st7 h GLU 72 CO 0.00 0.00 -0.08 -0.92 -1.00 0.00 0.00 179.01 177.01 1st7 h TYR 73 N 0.00 -0.21 -0.32 4.33 3.20 -1.12 -1.75 116.97 121.09 1st7 h TYR 73 Ca 0.00 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.88 1st7 h TYR 73 Cb 0.47 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.79 1st7 h TYR 73 CO 0.00 -0.04 0.21 0.97 -1.64 0.00 0.00 178.16 177.66 1st7 h ILE 74 N -0.34 1.04 -0.42 1.81 2.10 -1.78 0.93 117.51 120.85 1st7 h ILE 74 Ca -0.02 -0.13 -0.08 0.00 1.08 0.00 0.00 64.86 65.71 1st7 h ILE 74 Cb 0.26 0.64 -0.02 0.00 -1.09 0.00 0.00 36.82 36.62 1st7 h ILE 74 CO 0.04 0.07 -0.08 0.00 -1.08 0.00 0.00 178.15 177.09 1st7 h ALA 75 N 1.81 1.06 -0.23 0.18 0.00 -1.57 0.80 119.26 121.32 1st7 h ALA 75 Ca 0.12 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 1st7 h ALA 75 Cb 0.05 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1st7 h ALA 75 CO -0.03 0.58 -0.21 -0.07 0.00 0.00 0.00 179.25 179.52 1st7 h LEU 76 N 0.68 0.59 -1.32 0.00 3.38 -0.74 -3.28 115.31 114.62 1st7 h LEU 76 Ca 0.12 -0.47 -0.05 0.00 0.09 0.00 0.00 57.88 57.57 1st7 h LEU 76 Cb 0.54 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1st7 h LEU 76 CO 0.03 0.93 -0.24 0.58 0.09 0.00 0.00 178.44 179.83 1st7 h VAL 77 N 0.25 0.69 -0.62 1.22 2.07 -0.59 -1.50 116.25 117.77 1st7 h VAL 77 Ca 0.04 -1.05 -0.04 0.00 0.82 0.00 0.00 66.70 66.47 1st7 h VAL 77 Cb 0.76 1.67 -0.03 0.00 -1.52 0.00 0.00 31.29 32.17 1st7 h VAL 77 CO 0.05 0.24 0.24 -0.78 0.02 0.00 0.00 177.57 177.34 1st7 h ASP 78 N 0.00 0.83 1.43 0.57 3.58 -0.90 0.26 116.42 122.20 1st7 h ASP 78 Ca -0.00 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.34 1st7 h ASP 78 Cb 0.65 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.49 1st7 h ASP 78 CO 0.03 0.75 0.00 1.56 -2.88 0.00 0.00 179.24 178.70 1st7 h GLN 79 N 0.89 0.00 0.23 0.28 1.08 -1.39 -0.23 115.11 115.98 1st7 h GLN 79 Ca 0.21 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.40 1st7 h GLN 79 Cb 0.18 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.61 1st7 h GLN 79 CO -0.02 0.00 -0.11 -0.07 -0.95 0.00 0.00 178.83 177.68 1st7 h LEU 80 N 0.00 -0.26 -1.33 1.46 4.07 -0.90 -3.37 115.31 114.98 1st7 h LEU 80 Ca 0.00 0.01 0.16 0.00 0.08 0.00 0.00 57.88 58.13 1st7 h LEU 80 Cb 0.72 0.07 -0.07 0.00 1.08 0.00 0.00 40.66 42.45 1st7 h LEU 80 CO 0.00 0.19 0.58 0.40 -1.08 0.00 0.00 178.44 178.52 1st7 h ILE 81 N -1.06 0.79 -0.94 1.22 1.08 -0.46 0.35 117.51 118.49 1st7 h ILE 81 Ca -0.03 -0.21 0.22 0.00 -0.39 0.00 0.00 64.86 64.45 1st7 h ILE 81 Cb 0.24 0.12 -0.07 0.00 -3.07 0.00 0.00 36.82 34.03 1st7 h ILE 81 CO 0.05 0.11 0.62 0.00 -0.69 0.00 0.00 178.15 178.25 1st7 h ALA 82 N 1.61 2.25 0.00 1.87 0.00 -1.19 -0.36 119.26 123.44 1st7 h ALA 82 Ca 0.46 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 55.23 1st7 h ALA 82 Cb 0.83 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1st7 h ALA 82 CO -0.21 -0.56 -0.93 0.87 0.00 0.00 0.00 179.25 178.42 1st7 h LYS 83 N 0.39 0.00 0.00 0.00 1.57 -1.21 -3.45 116.57 113.86 1st7 h LYS 83 Ca 0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.28 1st7 h LYS 83 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1st7 h LYS 83 CO -0.20 0.90 -0.69 0.66 -0.57 0.00 0.00 179.45 179.56 1st7 n TYR 84 N -4.49 0.40 -0.11 -1.35 4.01 0.11 -4.03 117.16 111.69 1st7 n TYR 84 Ca -0.25 0.12 -0.08 0.00 -0.16 0.00 0.00 57.90 57.52 1st7 n TYR 84 Cb 0.60 -0.54 -0.02 0.00 -0.31 0.00 0.00 39.34 39.06 1st7 n TYR 84 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1st7 h SER 85 N 0.00 -1.13 0.00 7.72 0.87 -1.32 -3.35 113.55 116.34 1st7 h SER 85 Ca 0.00 0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 1st7 h SER 85 Cb 0.70 0.52 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 1st7 h SER 85 CO 0.00 -0.33 0.00 -1.54 -0.53 0.00 0.00 176.83 174.43