#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1st7 h SER 2 N 0.00 0.08 -0.82 6.55 4.64 -1.90 -2.38 113.55 119.73 1st7 h SER 2 Ca 0.00 -0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 1st7 h SER 2 Cb 0.00 -0.02 -0.05 0.00 -0.31 0.00 0.00 62.40 62.02 1st7 h SER 2 CO 0.00 0.05 0.54 -0.61 -0.87 0.00 0.00 176.83 175.94 1st7 h GLN 3 N 0.09 0.93 0.06 4.77 4.15 -1.98 -0.24 115.11 122.89 1st7 h GLN 3 Ca 0.06 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 1st7 h GLN 3 Cb 0.13 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 27.61 1st7 h GLN 3 CO -0.01 0.62 -0.03 1.25 -1.93 0.00 0.00 178.83 178.73 1st7 h LEU 4 N 0.96 -0.07 -1.34 -2.39 5.85 -1.82 -2.08 115.31 114.42 1st7 h LEU 4 Ca 0.34 -0.22 0.25 0.00 0.84 0.00 0.00 57.88 59.09 1st7 h LEU 4 Cb 0.12 0.02 -0.09 0.00 0.37 0.00 0.00 40.66 41.08 1st7 h LEU 4 CO -0.11 0.18 0.65 0.15 -0.34 0.00 0.00 178.44 178.97 1st7 h PHE 5 N -0.32 0.69 0.00 1.25 3.04 -1.44 -0.89 116.94 119.27 1st7 h PHE 5 Ca -0.01 0.02 -0.14 0.00 3.98 0.00 0.00 57.97 61.82 1st7 h PHE 5 Cb 0.28 -0.20 -0.02 0.00 2.56 0.00 0.00 35.95 38.57 1st7 h PHE 5 CO 0.01 0.09 -0.75 0.93 -2.02 0.00 0.00 178.31 176.57 1st7 h GLU 6 N 0.43 0.00 0.24 1.11 5.08 -0.56 0.31 114.58 121.20 1st7 h GLU 6 Ca 0.58 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.93 1st7 h GLU 6 Cb 1.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.65 1st7 h GLU 6 CO -0.29 0.59 -0.12 0.93 -1.00 0.00 0.00 179.01 179.12 1st7 h GLU 7 N 0.00 -0.31 -0.33 2.33 5.08 -0.61 -3.30 114.58 117.45 1st7 h GLU 7 Ca -0.03 0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 1st7 h GLU 7 Cb 1.51 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.82 1st7 h GLU 7 CO 0.08 -0.05 -0.13 0.87 -1.00 0.00 0.00 179.01 178.78 1st7 h LYS 8 N -0.56 0.66 -0.17 2.33 6.56 -1.16 -3.12 116.57 121.10 1st7 h LYS 8 Ca -0.03 -0.28 -0.05 0.00 -1.06 0.00 0.00 60.65 59.22 1st7 h LYS 8 Cb 0.41 -0.03 -0.00 0.00 -0.57 0.00 0.00 32.23 32.04 1st7 h LYS 8 CO 0.05 0.86 -0.11 0.00 -2.06 0.00 0.00 179.45 178.20 1st7 h ALA 9 N 0.78 0.25 0.00 3.86 0.00 -0.53 -2.20 119.26 121.42 1st7 h ALA 9 Ca 0.08 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1st7 h ALA 9 Cb 0.65 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1st7 h ALA 9 CO 0.04 0.09 0.00 0.87 0.00 0.00 0.00 179.25 180.25 1st7 h LYS 10 N 0.05 0.00 0.07 0.00 1.79 -1.66 -1.07 116.57 115.75 1st7 h LYS 10 Ca 0.04 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.50 1st7 h LYS 10 Cb 0.60 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.25 1st7 h LYS 10 CO 0.03 0.00 -0.03 0.00 -1.08 0.00 0.00 179.45 178.37 1st7 h ALA 11 N 2.10 -0.09 0.00 3.86 0.00 -1.41 -3.38 119.26 120.35 1st7 h ALA 11 Ca 0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1st7 h ALA 11 Cb 0.24 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1st7 h ALA 11 CO 0.00 -0.11 -0.16 -0.39 0.00 0.00 0.00 179.25 178.60 1st7 h VAL 12 N -0.98 0.70 0.00 0.00 -1.51 -0.80 0.58 116.25 114.24 1st7 h VAL 12 Ca -0.01 -0.64 0.00 0.00 -1.23 0.00 0.00 66.70 64.82 1st7 h VAL 12 Cb 0.44 1.40 0.00 0.00 -2.13 0.00 0.00 31.29 31.00 1st7 h VAL 12 CO 0.01 0.15 0.00 0.59 -1.23 0.00 0.00 177.57 177.10 1st7 n ASN 13 N -3.76 0.13 -1.23 4.19 3.02 -0.46 -3.73 115.26 113.42 1st7 n ASN 13 Ca -0.02 0.53 -0.00 0.00 -0.03 0.00 0.00 54.58 55.05 1st7 n ASN 13 Cb 0.26 -0.56 -0.02 0.00 -0.61 0.00 0.00 39.78 38.86 1st7 n ASN 13 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1st7 n GLU 14 N -1.64 0.00 -1.46 3.52 0.28 -0.16 -5.02 120.64 116.16 1st7 n GLU 14 Ca 0.04 -1.51 -0.30 0.00 -0.16 0.00 0.00 57.16 55.23 1st7 n GLU 14 Cb 0.23 0.17 0.11 0.00 1.43 0.00 0.00 31.44 33.37 1st7 n GLU 14 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 1st7 s LEU 15 N 0.00 2.47 0.26 -1.84 2.96 0.01 -4.96 118.68 117.58 1st7 s LEU 15 Ca 0.19 1.34 0.11 0.00 -0.22 0.00 0.00 54.13 55.55 1st7 s LEU 15 Cb 0.21 -3.88 0.27 0.00 0.50 0.00 0.00 46.19 43.29 1st7 s LEU 15 CO -0.09 -2.19 1.55 1.55 -1.32 0.00 0.00 176.35 175.85 1st7 h PRO 16 N -1.24 0.00 -3.40 0.98 0.13 -1.86 -3.33 132.00 123.28 1st7 h PRO 16 Ca -0.48 0.00 -0.77 0.00 -0.87 0.00 0.00 66.00 63.88 1st7 h PRO 16 Cb 1.28 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.11 1st7 h PRO 16 CO 0.58 0.65 0.34 2.41 -0.23 0.00 0.00 178.00 181.75 1st7 n THR 17 N -3.61 4.24 -1.70 1.56 -1.04 -1.26 -5.04 114.28 107.42 1st7 n THR 17 Ca -0.01 -5.38 -0.35 0.00 -2.04 0.00 0.00 64.05 56.28 1st7 n THR 17 Cb 0.68 -2.47 0.06 0.00 -1.82 0.00 0.00 70.33 66.78 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 -1.51 2.56 0.57 -2.82 1.02 -1.25 -4.80 119.74 113.51 1st7 s LYS 18 Ca 0.30 1.72 -0.19 0.00 0.02 0.00 0.00 55.97 57.82 1st7 s LYS 18 Cb -0.07 -1.89 -0.05 0.00 -0.52 0.00 0.00 37.83 35.30 1st7 s LYS 18 CO -0.07 -1.51 1.17 -2.14 -0.92 0.00 0.00 175.35 171.88 1st7 s PRO 19 N -3.74 3.15 0.88 -1.68 0.02 -1.26 -4.99 135.00 127.38 1st7 s PRO 19 Ca 0.74 1.71 -0.13 0.00 0.02 0.00 0.00 61.00 63.34 1st7 s PRO 19 Cb -0.28 -1.97 0.14 0.00 0.02 0.00 0.00 34.50 32.42 1st7 s PRO 19 CO 0.40 -1.04 1.23 0.45 -0.33 0.00 0.00 177.00 177.72 1st7 s SER 20 N -1.70 3.80 0.09 2.53 0.15 -1.26 -4.66 113.70 112.64 1st7 s SER 20 Ca 0.75 0.43 -0.30 0.00 0.70 0.00 0.00 55.95 57.52 1st7 s SER 20 Cb -0.27 -0.70 -0.14 0.00 -1.71 0.00 0.00 66.02 63.20 1st7 s SER 20 CO 0.30 -2.31 1.63 0.74 1.20 0.00 0.00 173.24 174.80 1st7 h THR 21 N -1.30 0.37 -0.05 6.45 2.02 -1.99 0.22 112.91 118.62 1st7 h THR 21 Ca -0.45 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 66.65 1st7 h THR 21 Cb 1.28 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 1st7 h THR 21 CO 0.50 0.00 -0.37 -2.24 0.37 0.00 0.00 175.52 173.78 1st7 h ASP 22 N -0.70 0.11 0.42 4.18 2.03 -2.02 -3.24 116.42 117.20 1st7 h ASP 22 Ca -0.04 -0.04 -0.02 0.00 -0.73 0.00 0.00 57.03 56.20 1st7 h ASP 22 Cb 0.60 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 39.08 1st7 h ASP 22 CO -0.00 0.47 -0.20 -0.33 -1.03 0.00 0.00 179.24 178.15 1st7 h GLU 23 N 0.09 -0.54 -0.76 4.15 5.08 -1.86 -3.35 114.58 117.39 1st7 h GLU 23 Ca 0.01 0.04 0.22 0.00 -1.00 0.00 0.00 59.36 58.63 1st7 h GLU 23 Cb 0.70 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.04 1st7 h GLU 23 CO 0.05 -0.35 0.71 1.25 -1.00 0.00 0.00 179.01 179.66 1st7 h LEU 24 N -1.15 0.00 0.80 1.33 5.85 -0.60 0.39 115.31 121.94 1st7 h LEU 24 Ca -0.06 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.62 1st7 h LEU 24 Cb 0.44 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.48 1st7 h LEU 24 CO 0.09 0.00 -0.38 -0.07 -0.34 0.00 0.00 178.44 177.74 1st7 h LEU 25 N 0.00 -0.91 -0.30 2.25 3.38 -1.68 -0.41 115.31 117.63 1st7 h LEU 25 Ca 0.36 0.02 -0.20 0.00 0.09 0.00 0.00 57.88 58.15 1st7 h LEU 25 Cb 1.77 0.24 -0.00 0.00 0.09 0.00 0.00 40.66 42.75 1st7 h LEU 25 CO -0.00 -0.62 -0.82 -0.08 0.09 0.00 0.00 178.44 177.01 1st7 h GLU 26 N -1.14 0.39 -0.14 1.13 4.81 -1.12 -2.46 114.58 116.05 1st7 h GLU 26 Ca -0.11 -0.37 -0.09 0.00 -0.13 0.00 0.00 59.36 58.66 1st7 h GLU 26 Cb 0.83 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.29 1st7 h GLU 26 CO 0.18 1.02 -0.32 -0.07 -0.73 0.00 0.00 179.01 179.10 1st7 h LEU 27 N 0.25 0.27 0.52 1.64 -0.00 -0.42 -1.31 115.31 116.26 1st7 h LEU 27 Ca -0.05 -0.09 -0.03 0.00 -0.00 0.00 0.00 57.88 57.71 1st7 h LEU 27 Cb 1.42 -0.07 0.01 0.00 -0.00 0.00 0.00 40.66 42.02 1st7 h LEU 27 CO 0.14 0.58 -0.25 0.22 -0.00 0.00 0.00 178.44 179.14 1st7 h TYR 28 N 0.24 -0.64 -0.21 1.13 5.03 -1.02 -2.08 116.97 119.41 1st7 h TYR 28 Ca 0.03 -0.02 0.06 0.00 2.58 0.00 0.00 58.73 61.38 1st7 h TYR 28 Cb 0.68 0.21 -0.07 0.00 1.55 0.00 0.00 36.73 39.10 1st7 h TYR 28 CO 0.01 -0.38 -0.29 0.00 -1.32 0.00 0.00 178.16 176.18 1st7 h ALA 29 N -0.25 -0.25 -0.73 1.82 0.00 -0.92 0.26 119.26 119.18 1st7 h ALA 29 Ca -0.07 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1st7 h ALA 29 Cb 0.55 0.58 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 1st7 h ALA 29 CO 0.12 -0.74 0.30 -0.07 0.00 0.00 0.00 179.25 178.86 1st7 h LEU 30 N -0.32 0.99 0.32 0.00 4.07 -1.37 0.17 115.31 119.17 1st7 h LEU 30 Ca 0.12 -0.16 -0.02 0.00 0.08 0.00 0.00 57.88 57.90 1st7 h LEU 30 Cb 0.51 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 42.00 1st7 h LEU 30 CO -0.39 0.88 -0.15 0.22 -1.08 0.00 0.00 178.44 177.92 1st7 h TYR 31 N 1.04 -0.40 -0.89 1.13 3.20 -0.60 -1.80 116.97 118.65 1st7 h TYR 31 Ca 0.24 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.23 1st7 h TYR 31 Cb 0.19 0.13 -0.09 0.00 1.54 0.00 0.00 36.73 38.51 1st7 h TYR 31 CO 0.01 -0.20 0.51 0.87 -1.64 0.00 0.00 178.16 177.72 1st7 h LYS 32 N -0.51 0.76 0.48 1.82 1.79 -0.49 0.20 116.57 120.63 1st7 h LYS 32 Ca -0.04 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.37 1st7 h LYS 32 Cb 0.38 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 30.84 1st7 h LYS 32 CO 0.07 0.51 -0.48 1.96 -1.08 0.00 0.00 179.45 180.43 1st7 h GLN 33 N 0.79 -0.92 -0.00 3.15 4.20 -0.28 -2.35 115.11 119.69 1st7 h GLN 33 Ca 0.46 0.06 0.00 0.00 0.06 0.00 0.00 58.65 59.23 1st7 h GLN 33 Cb 0.53 0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.52 1st7 h GLN 33 CO -0.30 -0.62 -0.32 0.00 -0.67 0.00 0.00 178.83 176.93 1st7 n ALA 34 N -2.79 3.18 0.08 3.87 0.00 -0.71 -0.48 120.51 123.67 1st7 n ALA 34 Ca -0.11 -0.36 -0.03 0.00 0.00 0.00 0.00 53.44 52.93 1st7 n ALA 34 Cb 0.44 -1.16 -0.02 0.00 0.00 0.00 0.00 19.45 18.71 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 0.69 0.00 0.00 0.00 2.02 -0.87 -3.40 112.91 111.36 1st7 h THR 35 Ca 0.00 -0.11 -0.20 0.00 0.77 0.00 0.00 66.41 66.87 1st7 h THR 35 Cb 0.49 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.87 1st7 h THR 35 CO 0.00 0.00 -1.30 -0.37 0.37 0.00 0.00 175.52 174.22 1st7 h VAL 36 N -0.32 0.80 0.00 3.16 -1.51 -1.53 -3.48 116.25 113.36 1st7 h VAL 36 Ca -0.02 -2.39 0.00 0.00 -1.23 0.00 0.00 66.70 63.05 1st7 h VAL 36 Cb 0.16 2.30 0.00 0.00 -2.13 0.00 0.00 31.29 31.62 1st7 h VAL 36 CO 0.04 0.45 0.00 0.61 -1.23 0.00 0.00 177.57 177.44 1st7 n GLY 37 N 1.41 2.81 3.26 5.19 0.00 0.37 -4.98 105.19 113.24 1st7 n GLY 37 Ca -0.09 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.38 1.12 -0.86 1.61 1.01 -1.26 -3.84 116.67 113.07 1st7 s ASP 38 Ca 0.00 -1.26 -0.23 0.00 0.71 0.00 0.00 52.55 51.78 1st7 s ASP 38 Cb 0.00 0.15 -0.19 0.00 1.01 0.00 0.00 42.92 43.90 1st7 s ASP 38 CO 0.00 -0.64 2.17 -0.46 0.21 0.00 0.00 175.17 176.45 1st7 n ASN 39 N -0.31 1.01 0.01 0.27 6.94 -0.83 -4.82 115.26 117.52 1st7 n ASN 39 Ca -0.04 -1.77 -0.01 0.00 -0.02 0.00 0.00 54.58 52.75 1st7 n ASN 39 Cb 0.64 -1.50 -0.00 0.00 -2.36 0.00 0.00 39.78 36.56 1st7 n ASN 39 CO 0.00 0.00 0.00 -0.78 -1.03 0.00 0.00 177.26 175.45 1st7 h ASP 40 N 11.87 -0.04 -3.46 0.53 3.58 -1.94 -3.45 116.42 123.51 1st7 h ASP 40 Ca 0.00 0.00 -0.49 0.00 0.42 0.00 0.00 57.03 56.96 1st7 h ASP 40 Cb 1.01 0.01 0.02 0.00 1.72 0.00 0.00 39.33 42.09 1st7 h ASP 40 CO 1.06 0.09 0.04 -0.54 -2.88 0.00 0.00 179.24 177.01 1st7 s LYS 41 N -1.47 3.59 -0.04 0.28 -0.14 -1.26 -4.98 119.74 115.73 1st7 s LYS 41 Ca -0.01 0.16 0.05 0.00 -1.36 0.00 0.00 55.97 54.82 1st7 s LYS 41 Cb 0.00 -2.45 0.08 0.00 -1.68 0.00 0.00 37.83 33.79 1st7 s LYS 41 CO 0.02 -0.08 0.96 -1.91 -0.76 0.00 0.00 175.35 173.58 1st7 n GLU 42 N -1.85 0.71 -3.95 1.68 2.13 -1.26 -4.96 120.64 113.14 1st7 n GLU 42 Ca -0.00 -1.43 -0.31 0.00 0.66 0.00 0.00 57.16 56.09 1st7 n GLU 42 Cb 0.55 -0.84 -0.15 0.00 0.27 0.00 0.00 31.44 31.27 1st7 n GLU 42 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1st7 s LYS 43 N -0.94 1.52 0.00 5.31 -0.14 -1.26 -5.10 119.74 119.13 1st7 s LYS 43 Ca 0.09 -2.01 0.00 0.00 -1.36 0.00 0.00 55.97 52.69 1st7 s LYS 43 Cb 0.08 -3.06 0.00 0.00 -1.68 0.00 0.00 37.83 33.17 1st7 s LYS 43 CO 0.01 -1.01 0.00 -0.35 -0.76 0.00 0.00 175.35 173.24 1st7 n PRO 44 N 3.95 0.61 -0.60 -1.68 -0.04 -1.26 -5.08 135.00 130.91 1st7 n PRO 44 Ca 0.04 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.21 1st7 n PRO 44 Cb 0.39 0.00 0.26 0.00 -0.04 0.00 0.00 33.50 34.11 1st7 n PRO 44 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1st7 s GLY 45 N -2.01 1.49 -0.15 0.55 0.00 -1.26 -5.00 107.32 100.94 1st7 s GLY 45 Ca 0.00 -0.57 -0.19 0.00 0.00 0.00 0.00 44.72 43.96 1st7 s GLY 45 CO 0.00 0.29 0.46 0.16 0.00 0.00 0.00 173.10 174.01 1st7 h ILE 46 N -2.92 1.09 -0.00 0.90 3.07 -2.04 -3.30 117.51 114.30 1st7 h ILE 46 Ca -0.52 -2.31 0.00 0.00 1.55 0.00 0.00 64.86 63.59 1st7 h ILE 46 Cb 1.33 2.63 0.00 0.00 -0.27 0.00 0.00 36.82 40.52 1st7 h ILE 46 CO 0.40 0.56 -0.14 2.22 -1.05 0.00 0.00 178.15 180.13 1st7 n PHE 47 N -4.19 0.00 0.00 0.16 1.16 -1.26 -4.99 117.46 108.34 1st7 n PHE 47 Ca -0.26 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.32 1st7 n PHE 47 Cb 0.76 -0.19 0.00 0.00 -1.61 0.00 0.00 39.48 38.44 1st7 n PHE 47 CO 0.00 0.00 0.00 0.27 -1.87 0.00 0.00 176.76 175.16 1st7 n ASN 48 N -0.96 0.00 -0.10 5.98 2.04 -1.25 -4.86 115.26 116.12 1st7 n ASN 48 Ca 0.13 0.00 -0.16 0.00 -0.44 0.00 0.00 54.58 54.12 1st7 n ASN 48 Cb 0.29 0.00 -0.07 0.00 -2.53 0.00 0.00 39.78 37.48 1st7 n ASN 48 CO 0.00 0.00 0.00 0.23 -0.44 0.00 0.00 177.26 177.05 1st7 n MET 49 N 0.00 0.53 -0.05 -3.83 2.81 -1.26 -4.37 117.12 110.95 1st7 n MET 49 Ca 0.00 0.44 -0.16 0.00 -1.81 0.00 0.00 57.70 56.18 1st7 n MET 49 Cb 0.00 -1.63 -0.07 0.00 -0.71 0.00 0.00 33.22 30.81 1st7 n MET 49 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1st7 h LYS 50 N -1.00 0.67 -0.38 0.03 1.57 -2.02 -3.29 116.57 112.14 1st7 h LYS 50 Ca -0.24 -0.49 -0.02 0.00 -1.87 0.00 0.00 60.65 58.02 1st7 h LYS 50 Cb 1.05 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.43 1st7 h LYS 50 CO -0.15 1.11 0.13 -0.44 -0.57 0.00 0.00 179.45 179.53 1st7 h ASP 51 N 0.36 0.49 1.19 0.86 3.32 -1.97 -2.86 116.42 117.81 1st7 h ASP 51 Ca -0.02 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1st7 h ASP 51 Cb 1.16 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.58 1st7 h ASP 51 CO 0.11 0.47 0.00 0.08 -1.72 0.00 0.00 179.24 178.18 1st7 h ARG 52 N 0.54 0.00 0.00 3.56 0.11 -1.76 0.25 114.38 117.08 1st7 h ARG 52 Ca 0.13 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.21 1st7 h ARG 52 Cb 0.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.22 1st7 h ARG 52 CO -0.01 0.00 -0.00 1.88 0.10 0.00 0.00 179.97 181.94 1st7 h TYR 53 N 0.00 -0.00 -0.12 4.08 0.05 -1.64 -3.09 116.97 116.25 1st7 h TYR 53 Ca 0.00 -0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.81 1st7 h TYR 53 Cb 0.60 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.30 1st7 h TYR 53 CO 0.00 0.81 -0.10 0.87 -1.05 0.00 0.00 178.16 178.69 1st7 h LYS 54 N -0.82 -0.11 -0.41 4.88 1.57 -1.29 -1.45 116.57 118.93 1st7 h LYS 54 Ca -0.00 0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.70 1st7 h LYS 54 Cb 0.82 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.13 1st7 h LYS 54 CO 0.00 -0.07 -0.11 2.35 -0.57 0.00 0.00 179.45 181.05 1st7 h TRP 55 N -0.11 0.80 -0.03 -1.35 7.01 -0.68 -2.33 115.95 119.26 1st7 h TRP 55 Ca 0.08 -0.14 -0.17 0.00 2.11 0.00 0.00 58.89 60.77 1st7 h TRP 55 Cb 0.23 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 27.07 1st7 h TRP 55 CO -0.22 0.80 -0.74 1.49 -2.79 0.00 0.00 178.44 176.99 1st7 h GLU 56 N 0.67 0.19 0.00 2.65 4.81 -1.43 -0.22 114.58 121.24 1st7 h GLU 56 Ca 0.12 -0.16 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 1st7 h GLU 56 Cb 0.57 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.98 1st7 h GLU 56 CO 0.04 0.84 -0.17 0.00 -0.73 0.00 0.00 179.01 178.99 1st7 h ALA 57 N 1.11 1.29 0.02 2.92 0.00 -1.03 -2.53 119.26 121.05 1st7 h ALA 57 Ca -0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1st7 h ALA 57 Cb 1.30 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1st7 h ALA 57 CO 0.11 0.21 -0.11 2.35 0.00 0.00 0.00 179.25 181.81 1st7 h TRP 58 N 0.00 0.07 0.00 0.00 7.01 -1.11 -3.33 115.95 118.59 1st7 h TRP 58 Ca -0.00 -0.05 0.00 0.00 2.11 0.00 0.00 58.89 60.95 1st7 h TRP 58 Cb 0.42 -0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.48 1st7 h TRP 58 CO 0.00 1.04 0.00 -0.85 -2.79 0.00 0.00 178.44 175.84 1st7 n GLU 59 N -4.55 0.09 0.25 2.65 -0.00 -0.12 -0.83 120.64 118.12 1st7 n GLU 59 Ca -0.11 0.48 0.14 0.00 -0.00 0.00 0.00 57.16 57.67 1st7 n GLU 59 Cb 0.52 -1.72 0.52 0.00 -0.00 0.00 0.00 31.44 30.77 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 -0.17 -1.84 2.35 -1.56 -3.21 115.58 111.14 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 0.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.50 1st7 h ASN 60 CO 0.00 0.10 0.00 0.18 -1.65 0.00 0.00 177.43 176.06 1st7 n LEU 61 N -3.21 2.84 -0.21 1.61 4.32 -0.01 -4.88 117.00 117.46 1st7 n LEU 61 Ca 0.01 -2.49 0.18 0.00 -0.02 0.00 0.00 56.01 53.69 1st7 n LEU 61 Cb 0.39 -0.30 0.31 0.00 -1.62 0.00 0.00 43.42 42.19 1st7 n LEU 61 CO 0.31 0.66 0.55 2.29 -1.22 0.00 0.00 177.39 179.97 1st7 n LYS 62 N -0.40 -0.02 -0.12 3.23 -0.00 -1.16 -1.57 118.16 118.12 1st7 n LYS 62 Ca 0.12 0.57 -0.24 0.00 -0.00 0.00 0.00 58.31 58.76 1st7 n LYS 62 Cb 0.55 -1.12 -0.09 0.00 -0.00 0.00 0.00 35.03 34.37 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 -1.23 -0.38 0.13 2.58 0.00 -1.26 -1.97 105.19 103.05 1st7 n GLY 63 Ca 0.18 -0.13 0.13 0.00 0.00 0.00 0.00 46.02 46.21 1st7 n GLY 63 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1st7 n LYS 64 N -3.90 0.57 -0.14 1.61 2.85 -0.98 -4.61 118.16 113.56 1st7 n LYS 64 Ca -0.47 -0.26 -0.04 0.00 -1.05 0.00 0.00 58.31 56.49 1st7 n LYS 64 Cb 0.86 -1.49 -0.03 0.00 -0.65 0.00 0.00 35.03 33.71 1st7 n LYS 64 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1st7 n SER 65 N -0.99 -0.36 0.13 -5.58 7.64 -0.61 -0.76 113.62 113.09 1st7 n SER 65 Ca 0.12 0.67 0.11 0.00 1.01 0.00 0.00 58.87 60.78 1st7 n SER 65 Cb 0.31 -0.11 0.51 0.00 -1.01 0.00 0.00 64.21 63.91 1st7 n SER 65 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1st7 n GLN 66 N -4.20 0.18 -0.07 1.43 7.27 -1.25 -1.03 117.38 119.71 1st7 n GLN 66 Ca 0.01 0.47 -0.22 0.00 0.07 0.00 0.00 57.00 57.33 1st7 n GLN 66 Cb 0.09 -1.88 -0.12 0.00 2.41 0.00 0.00 30.24 30.73 1st7 n GLN 66 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1st7 n GLU 67 N -2.22 0.66 -0.04 3.69 1.02 0.06 -4.54 120.64 119.26 1st7 n GLU 67 Ca 0.01 0.35 -0.16 0.00 -0.02 0.00 0.00 57.16 57.35 1st7 n GLU 67 Cb 0.18 -1.67 -0.14 0.00 -0.02 0.00 0.00 31.44 29.79 1st7 n GLU 67 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1st7 n ASP 68 N -3.87 1.51 0.17 1.62 2.03 -0.93 -4.37 116.55 112.71 1st7 n ASP 68 Ca -0.37 0.17 -0.14 0.00 0.52 0.00 0.00 54.79 54.97 1st7 n ASP 68 Cb 0.90 -0.33 -0.07 0.00 -0.72 0.00 0.00 41.12 40.89 1st7 n ASP 68 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1st7 h ALA 69 N 0.42 -0.40 -1.03 -1.67 0.00 -1.33 -2.81 119.26 112.43 1st7 h ALA 69 Ca -0.44 -0.08 0.40 0.00 0.00 0.00 0.00 54.91 54.80 1st7 h ALA 69 Cb 2.03 0.20 -0.17 0.00 0.00 0.00 0.00 17.79 19.85 1st7 h ALA 69 CO 0.04 -0.73 0.58 1.05 0.00 0.00 0.00 179.25 180.19 1st7 h GLU 70 N -0.41 0.07 0.08 0.00 4.11 -1.76 0.20 114.58 116.87 1st7 h GLU 70 Ca -0.03 -0.00 -0.32 0.00 0.07 0.00 0.00 59.36 59.08 1st7 h GLU 70 Cb 0.34 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 1st7 h GLU 70 CO 0.03 0.05 -1.73 0.87 0.07 0.00 0.00 179.01 178.29 1st7 h LYS 71 N 0.07 0.16 0.00 1.06 1.57 -1.73 -3.32 116.57 114.37 1st7 h LYS 71 Ca 0.83 -0.27 -0.17 0.00 -1.87 0.00 0.00 60.65 59.16 1st7 h LYS 71 Cb 2.17 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 34.56 1st7 h LYS 71 CO -0.71 0.92 -0.82 0.93 -0.57 0.00 0.00 179.45 179.20 1st7 h GLU 72 N 0.04 0.00 -0.23 3.15 4.39 -1.18 -3.37 114.58 117.38 1st7 h GLU 72 Ca -0.31 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.34 1st7 h GLU 72 Cb 2.02 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.66 1st7 h GLU 72 CO 0.11 0.82 -0.03 -0.92 -1.16 0.00 0.00 179.01 177.83 1st7 h TYR 73 N 0.00 0.48 -0.79 4.33 3.20 -0.73 -2.87 116.97 120.58 1st7 h TYR 73 Ca -0.01 -0.09 0.19 0.00 3.14 0.00 0.00 58.73 61.96 1st7 h TYR 73 Cb 1.51 -0.12 -0.13 0.00 1.54 0.00 0.00 36.73 39.53 1st7 h TYR 73 CO 0.00 0.64 0.15 0.97 -1.64 0.00 0.00 178.16 178.28 1st7 h ILE 74 N 0.18 0.39 -0.56 1.81 6.09 -1.72 -0.61 117.51 123.11 1st7 h ILE 74 Ca 0.06 -0.07 -0.11 0.00 -1.37 0.00 0.00 64.86 63.37 1st7 h ILE 74 Cb 0.46 0.17 -0.02 0.00 0.47 0.00 0.00 36.82 37.91 1st7 h ILE 74 CO 0.02 0.04 -0.09 0.00 -3.07 0.00 0.00 178.15 175.04 1st7 h ALA 75 N 1.70 0.78 -0.54 0.18 0.00 -1.69 -0.39 119.26 119.29 1st7 h ALA 75 Ca 0.46 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1st7 h ALA 75 Cb 0.86 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1st7 h ALA 75 CO -0.61 0.67 0.15 -0.07 0.00 0.00 0.00 179.25 179.40 1st7 h LEU 76 N 0.93 0.81 -0.35 0.00 3.38 -1.23 -3.11 115.31 115.73 1st7 h LEU 76 Ca 0.15 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 1st7 h LEU 76 Cb 0.66 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1st7 h LEU 76 CO 0.05 0.82 -0.34 0.58 0.09 0.00 0.00 178.44 179.63 1st7 h VAL 77 N 0.76 0.65 -0.61 1.22 2.07 -0.96 -1.94 116.25 117.44 1st7 h VAL 77 Ca 0.17 -1.70 -0.04 0.00 0.82 0.00 0.00 66.70 65.95 1st7 h VAL 77 Cb 0.31 2.16 -0.03 0.00 -1.52 0.00 0.00 31.29 32.22 1st7 h VAL 77 CO -0.00 0.34 0.23 -0.78 0.02 0.00 0.00 177.57 177.38 1st7 h ASP 78 N 0.00 0.85 0.36 0.57 3.58 -1.03 0.24 116.42 120.98 1st7 h ASP 78 Ca -0.00 -0.18 -0.04 0.00 0.42 0.00 0.00 57.03 57.23 1st7 h ASP 78 Cb 1.13 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.96 1st7 h ASP 78 CO 0.04 0.79 -0.19 1.56 -2.88 0.00 0.00 179.24 178.57 1st7 h GLN 79 N 0.85 0.00 0.27 0.28 4.20 -1.42 -0.82 115.11 118.46 1st7 h GLN 79 Ca 0.20 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.90 1st7 h GLN 79 Cb 0.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1st7 h GLN 79 CO -0.01 0.19 -0.13 -0.07 -0.67 0.00 0.00 178.83 178.14 1st7 h LEU 80 N 0.00 -0.30 -1.47 1.46 3.38 -0.89 -3.36 115.31 114.13 1st7 h LEU 80 Ca -0.00 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1st7 h LEU 80 Cb 0.42 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1st7 h LEU 80 CO 0.02 -0.00 -0.18 0.40 0.09 0.00 0.00 178.44 178.77 1st7 h ILE 81 N -0.79 1.17 -0.43 1.22 2.04 -0.46 0.30 117.51 120.57 1st7 h ILE 81 Ca -0.04 -0.78 0.12 0.00 1.00 0.00 0.00 64.86 65.16 1st7 h ILE 81 Cb 0.27 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 1st7 h ILE 81 CO 0.06 0.23 0.31 0.00 0.00 0.00 0.00 178.15 178.75 1st7 h ALA 82 N 1.71 2.40 0.03 1.87 0.00 -1.33 -0.46 119.26 123.48 1st7 h ALA 82 Ca 0.02 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.71 1st7 h ALA 82 Cb 0.39 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1st7 h ALA 82 CO 0.03 -0.52 -1.13 0.87 0.00 0.00 0.00 179.25 178.49 1st7 h LYS 83 N 0.00 0.06 0.00 0.00 1.79 -1.18 -3.45 116.57 113.79 1st7 h LYS 83 Ca 0.20 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 1st7 h LYS 83 Cb 0.81 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.50 1st7 h LYS 83 CO -0.00 1.05 -0.92 0.66 -1.08 0.00 0.00 179.45 179.16 1st7 n TYR 84 N -4.32 0.11 -0.18 -1.35 4.01 0.87 -4.25 117.16 112.06 1st7 n TYR 84 Ca -0.27 0.03 -0.07 0.00 -0.16 0.00 0.00 57.90 57.43 1st7 n TYR 84 Cb 0.71 -0.26 -0.01 0.00 -0.31 0.00 0.00 39.34 39.47 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 -1.21 0.00 7.72 0.87 -1.35 -3.36 113.55 116.23 1st7 h SER 85 Ca 0.00 0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 1st7 h SER 85 Cb 0.61 0.58 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 1st7 h SER 85 CO 0.00 -0.32 0.00 -1.20 -0.53 0.00 0.00 176.83 174.78