#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 0.00 -0.16 4.52 4.64 -1.96 -2.71 113.55 117.88 1st7 h SER 2 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1st7 h SER 2 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1st7 h SER 2 CO 0.00 0.32 0.04 1.56 -0.87 0.00 0.00 176.83 177.87 1st7 h GLN 3 N 0.00 0.26 -0.23 4.77 1.08 -2.00 -2.90 115.11 116.09 1st7 h GLN 3 Ca -0.00 -0.06 0.03 0.00 -1.45 0.00 0.00 58.65 57.16 1st7 h GLN 3 Cb 0.64 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 28.01 1st7 h GLN 3 CO 0.04 0.41 0.05 1.25 -0.95 0.00 0.00 178.83 179.63 1st7 h LEU 4 N 0.07 0.02 -0.89 1.46 5.85 -1.94 -1.86 115.31 118.01 1st7 h LEU 4 Ca 0.05 0.03 0.24 0.00 0.84 0.00 0.00 57.88 59.05 1st7 h LEU 4 Cb 0.26 0.04 -0.14 0.00 0.37 0.00 0.00 40.66 41.20 1st7 h LEU 4 CO 0.00 0.04 0.28 0.15 -0.34 0.00 0.00 178.44 178.58 1st7 h PHE 5 N 0.14 0.43 0.04 1.25 3.04 -1.51 -0.70 116.94 119.64 1st7 h PHE 5 Ca 0.10 0.05 -0.22 0.00 3.98 0.00 0.00 57.97 61.88 1st7 h PHE 5 Cb 0.10 -0.05 -0.01 0.00 2.56 0.00 0.00 35.95 38.55 1st7 h PHE 5 CO -0.15 -0.20 -1.02 0.93 -2.02 0.00 0.00 178.31 175.85 1st7 h GLU 6 N 0.23 0.15 0.18 1.11 5.08 -1.14 0.74 114.58 120.94 1st7 h GLU 6 Ca 0.57 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.71 1st7 h GLU 6 Cb 1.17 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1st7 h GLU 6 CO -0.64 1.04 -0.09 0.93 -1.00 0.00 0.00 179.01 179.26 1st7 h GLU 7 N 0.06 -0.23 0.00 2.33 4.39 -0.81 -3.25 114.58 117.06 1st7 h GLU 7 Ca -0.06 0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.58 1st7 h GLU 7 Cb 1.73 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 30.42 1st7 h GLU 7 CO 0.15 -0.14 -1.09 0.87 -1.16 0.00 0.00 179.01 177.65 1st7 h LYS 8 N -0.26 0.00 -0.17 2.33 1.79 -1.20 -3.16 116.57 115.90 1st7 h LYS 8 Ca -0.02 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.41 1st7 h LYS 8 Cb 0.20 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.85 1st7 h LYS 8 CO 0.04 0.15 -0.02 0.00 -1.08 0.00 0.00 179.45 178.53 1st7 h ALA 9 N 1.74 0.23 0.00 3.86 0.00 -0.95 -1.79 119.26 122.35 1st7 h ALA 9 Ca -0.07 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1st7 h ALA 9 Cb 1.26 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1st7 h ALA 9 CO 0.02 -0.03 -0.01 0.87 0.00 0.00 0.00 179.25 180.10 1st7 h LYS 10 N 0.04 0.00 0.28 0.00 1.79 -1.68 -1.81 116.57 115.20 1st7 h LYS 10 Ca 0.05 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.50 1st7 h LYS 10 Cb 0.44 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.09 1st7 h LYS 10 CO 0.01 0.01 -0.13 0.00 -1.08 0.00 0.00 179.45 178.26 1st7 h ALA 11 N 1.99 -0.38 0.00 3.86 0.00 -1.46 -3.34 119.26 119.94 1st7 h ALA 11 Ca -0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1st7 h ALA 11 Cb 0.26 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1st7 h ALA 11 CO 0.00 -0.38 -0.16 -0.39 0.00 0.00 0.00 179.25 178.32 1st7 h VAL 12 N -1.04 0.88 0.00 0.00 -1.51 -0.90 0.46 116.25 114.15 1st7 h VAL 12 Ca -0.04 -0.60 0.00 0.00 -1.23 0.00 0.00 66.70 64.83 1st7 h VAL 12 Cb 0.42 1.35 0.00 0.00 -2.13 0.00 0.00 31.29 30.92 1st7 h VAL 12 CO 0.06 0.16 0.00 0.78 -1.23 0.00 0.00 177.57 177.34 1st7 h ASN 13 N 0.00 0.00 0.00 4.19 2.35 -1.51 -3.30 115.58 117.31 1st7 h ASN 13 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1st7 h ASN 13 Cb 0.33 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.70 1st7 h ASN 13 CO 0.02 0.00 0.00 -0.62 -1.65 0.00 0.00 177.43 175.18 1st7 n GLU 14 N -2.89 1.26 -1.85 0.81 -0.58 -0.17 -4.94 120.64 112.29 1st7 n GLU 14 Ca 0.02 -0.93 -0.34 0.00 -0.42 0.00 0.00 57.16 55.49 1st7 n GLU 14 Cb 0.32 -0.81 0.04 0.00 -0.57 0.00 0.00 31.44 30.42 1st7 n GLU 14 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1st7 s LEU 15 N -0.47 3.47 0.37 -4.62 2.96 -0.03 -4.91 118.68 115.46 1st7 s LEU 15 Ca 0.00 2.09 0.27 0.00 -0.22 0.00 0.00 54.13 56.27 1st7 s LEU 15 Cb 0.00 -4.56 0.87 0.00 0.50 0.00 0.00 46.19 42.99 1st7 s LEU 15 CO 0.00 -1.60 1.77 1.55 -1.32 0.00 0.00 176.35 176.75 1st7 h PRO 16 N 0.29 0.00 -3.26 0.98 0.13 -1.83 -3.04 132.00 125.27 1st7 h PRO 16 Ca -0.48 0.00 -0.73 0.00 -0.87 0.00 0.00 66.00 63.92 1st7 h PRO 16 Cb 1.26 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 32.06 1st7 h PRO 16 CO 0.54 0.00 0.12 2.41 -0.23 0.00 0.00 178.00 180.84 1st7 n THR 17 N -2.70 3.65 -1.52 1.56 -1.04 -1.25 -5.06 114.28 107.91 1st7 n THR 17 Ca 0.03 -5.29 -0.36 0.00 -2.04 0.00 0.00 64.05 56.39 1st7 n THR 17 Cb 0.38 -2.38 0.08 0.00 -1.82 0.00 0.00 70.33 66.59 1st7 n THR 17 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1st7 n LYS 18 N 2.18 0.77 -2.00 -2.82 5.02 -1.15 -4.74 118.16 115.42 1st7 n LYS 18 Ca 0.23 0.32 -0.37 0.00 -2.02 0.00 0.00 58.31 56.48 1st7 n LYS 18 Cb 0.37 -2.34 0.03 0.00 -0.02 0.00 0.00 35.03 33.07 1st7 n LYS 18 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 1st7 s PRO 19 N -3.31 3.10 0.59 1.97 0.02 -1.26 -5.01 135.00 131.10 1st7 s PRO 19 Ca 0.78 1.89 -0.09 0.00 0.02 0.00 0.00 61.00 63.59 1st7 s PRO 19 Cb -0.37 -2.04 -0.03 0.00 0.02 0.00 0.00 34.50 32.08 1st7 s PRO 19 CO 0.46 -1.12 0.97 0.45 -0.33 0.00 0.00 177.00 177.42 1st7 s SER 20 N -1.45 6.13 0.12 2.53 0.15 -1.26 -4.73 113.70 115.19 1st7 s SER 20 Ca 0.75 1.23 -0.34 0.00 0.70 0.00 0.00 55.95 58.30 1st7 s SER 20 Cb -0.32 -2.32 -0.12 0.00 -1.71 0.00 0.00 66.02 61.55 1st7 s SER 20 CO 0.36 -0.85 1.55 0.74 1.20 0.00 0.00 173.24 176.24 1st7 h THR 21 N -0.21 0.01 0.00 6.45 2.02 -1.99 0.28 112.91 119.46 1st7 h THR 21 Ca -0.45 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.73 1st7 h THR 21 Cb 1.20 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1st7 h THR 21 CO 0.62 0.00 0.00 -0.90 0.37 0.00 0.00 175.52 175.61 1st7 n ASP 22 N -5.42 0.49 -0.03 4.18 5.75 -1.26 -3.15 116.55 117.11 1st7 n ASP 22 Ca -0.05 0.55 -0.22 0.00 -0.01 0.00 0.00 54.79 55.06 1st7 n ASP 22 Cb 0.37 -0.68 -0.13 0.00 -1.03 0.00 0.00 41.12 39.65 1st7 n ASP 22 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1st7 h GLU 23 N 0.00 0.18 -0.93 0.11 5.08 -1.73 -3.24 114.58 114.05 1st7 h GLU 23 Ca 0.00 -0.30 0.16 0.00 -1.00 0.00 0.00 59.36 58.21 1st7 h GLU 23 Cb 0.64 0.11 -0.08 0.00 0.50 0.00 0.00 28.75 29.93 1st7 h GLU 23 CO 0.00 1.15 0.59 1.25 -1.00 0.00 0.00 179.01 181.00 1st7 h LEU 24 N -0.34 0.67 -0.12 1.33 6.46 -0.51 0.17 115.31 122.98 1st7 h LEU 24 Ca -0.38 0.05 -0.24 0.00 -0.12 0.00 0.00 57.88 57.20 1st7 h LEU 24 Cb 1.75 -0.08 0.01 0.00 -0.73 0.00 0.00 40.66 41.62 1st7 h LEU 24 CO -0.01 0.31 -0.84 0.17 -0.62 0.00 0.00 178.44 177.45 1st7 h LEU 25 N 0.70 0.95 -0.51 2.25 8.10 -1.68 0.58 115.31 125.70 1st7 h LEU 25 Ca 0.48 -0.65 -0.11 0.00 0.11 0.00 0.00 57.88 57.70 1st7 h LEU 25 Cb 0.80 -0.28 -0.02 0.00 -0.44 0.00 0.00 40.66 40.72 1st7 h LEU 25 CO -0.24 1.46 -0.13 -0.08 -4.11 0.00 0.00 178.44 175.34 1st7 h GLU 26 N 0.51 0.99 -0.34 0.17 4.81 -1.47 -0.63 114.58 118.63 1st7 h GLU 26 Ca -0.07 -0.38 0.05 0.00 -0.13 0.00 0.00 59.36 58.83 1st7 h GLU 26 Cb 1.48 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.76 1st7 h GLU 26 CO 0.17 1.06 0.07 -0.07 -0.73 0.00 0.00 179.01 179.51 1st7 h LEU 27 N 0.86 0.02 0.15 1.64 3.38 -0.69 -2.29 115.31 118.38 1st7 h LEU 27 Ca 0.13 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.17 1st7 h LEU 27 Cb 0.70 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 1st7 h LEU 27 CO 0.05 0.05 -0.30 0.22 0.09 0.00 0.00 178.44 178.55 1st7 h TYR 28 N 0.19 -0.81 -0.22 1.13 5.03 -0.54 0.15 116.97 121.90 1st7 h TYR 28 Ca 0.16 0.02 0.05 0.00 2.58 0.00 0.00 58.73 61.54 1st7 h TYR 28 Cb 0.17 0.34 -0.05 0.00 1.55 0.00 0.00 36.73 38.74 1st7 h TYR 28 CO -0.18 -0.41 -0.10 0.00 -1.32 0.00 0.00 178.16 176.15 1st7 h ALA 29 N 0.12 0.08 -0.30 1.82 0.00 -1.00 0.31 119.26 120.29 1st7 h ALA 29 Ca 0.02 0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 1st7 h ALA 29 Cb 0.55 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1st7 h ALA 29 CO -0.15 -0.52 -0.47 -0.07 0.00 0.00 0.00 179.25 178.03 1st7 h LEU 30 N -0.08 0.89 0.45 0.00 4.07 -1.41 0.90 115.31 120.13 1st7 h LEU 30 Ca 0.12 -0.44 -0.01 0.00 0.08 0.00 0.00 57.88 57.63 1st7 h LEU 30 Cb 0.25 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.72 1st7 h LEU 30 CO -0.27 1.21 -0.44 0.22 -1.08 0.00 0.00 178.44 178.09 1st7 h TYR 31 N 0.65 -1.20 -0.66 1.13 3.20 -0.28 -1.95 116.97 117.86 1st7 h TYR 31 Ca 0.03 0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.96 1st7 h TYR 31 Cb 1.05 0.47 -0.04 0.00 1.54 0.00 0.00 36.73 39.75 1st7 h TYR 31 CO 0.06 -0.60 0.43 0.87 -1.64 0.00 0.00 178.16 177.28 1st7 h LYS 32 N -0.90 0.71 0.53 1.82 1.79 -0.40 0.17 116.57 120.29 1st7 h LYS 32 Ca -0.05 -0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.37 1st7 h LYS 32 Cb 0.79 -0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 31.27 1st7 h LYS 32 CO -0.06 0.47 -0.44 1.96 -1.08 0.00 0.00 179.45 180.30 1st7 h GLN 33 N 0.73 -0.92 0.00 3.15 4.20 -0.47 -2.14 115.11 119.66 1st7 h GLN 33 Ca 0.27 0.06 0.00 0.00 0.06 0.00 0.00 58.65 59.04 1st7 h GLN 33 Cb 0.16 0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1st7 h GLN 33 CO -0.08 -0.61 -0.34 0.00 -0.67 0.00 0.00 178.83 177.13 1st7 h ALA 34 N -0.70 0.78 0.48 3.87 0.00 -1.17 0.87 119.26 123.39 1st7 h ALA 34 Ca -0.06 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1st7 h ALA 34 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1st7 h ALA 34 CO -0.01 0.00 -0.23 1.15 0.00 0.00 0.00 179.25 180.16 1st7 h THR 35 N 0.00 0.00 0.15 0.00 2.02 -0.58 -3.38 112.91 111.11 1st7 h THR 35 Ca 0.00 -0.29 -0.35 0.00 0.77 0.00 0.00 66.41 66.54 1st7 h THR 35 Cb 0.77 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.17 1st7 h THR 35 CO 0.00 0.00 -1.81 1.62 0.37 0.00 0.00 175.52 175.70 1st7 h VAL 36 N -0.93 0.85 0.00 3.16 3.04 -1.52 -3.49 116.25 117.35 1st7 h VAL 36 Ca -0.07 -2.50 0.00 0.00 -1.01 0.00 0.00 66.70 63.13 1st7 h VAL 36 Cb 0.49 2.66 0.00 0.00 -2.01 0.00 0.00 31.29 32.43 1st7 h VAL 36 CO 0.11 0.85 0.00 0.61 -1.01 0.00 0.00 177.57 178.13 1st7 n GLY 37 N 1.87 3.21 3.46 3.17 0.00 0.30 -5.05 105.19 112.15 1st7 n GLY 37 Ca -0.26 -1.10 -0.22 0.00 0.00 0.00 0.00 46.02 44.44 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 0.00 2.41 0.11 1.61 1.01 -1.26 -4.16 116.67 116.40 1st7 s ASP 38 Ca 0.00 -1.45 -0.31 0.00 0.71 0.00 0.00 52.55 51.50 1st7 s ASP 38 Cb 0.00 0.08 -0.10 0.00 1.01 0.00 0.00 42.92 43.91 1st7 s ASP 38 CO 0.00 -0.69 1.84 0.54 0.21 0.00 0.00 175.17 177.07 1st7 s ASN 39 N -3.51 6.43 0.00 0.27 4.22 -0.74 -4.83 114.94 116.78 1st7 s ASN 39 Ca 0.33 2.74 0.00 0.00 -2.14 0.00 0.00 52.86 53.79 1st7 s ASN 39 Cb 0.07 -2.56 0.00 0.00 1.28 0.00 0.00 41.25 40.04 1st7 s ASN 39 CO 0.15 -1.01 0.00 -0.67 -2.04 0.00 0.00 177.10 173.53 1st7 n ASP 40 N 5.92 0.00 -4.52 3.54 2.03 -1.26 -4.91 116.55 117.35 1st7 n ASP 40 Ca 0.18 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 55.06 1st7 n ASP 40 Cb 0.39 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.78 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 3.96 0.00 -0.67 1.02 -1.26 -4.84 119.74 117.94 1st7 s LYS 41 Ca 0.00 -2.12 -0.03 0.00 0.02 0.00 0.00 55.97 53.84 1st7 s LYS 41 Cb 0.00 -5.28 -0.12 0.00 -0.52 0.00 0.00 37.83 31.91 1st7 s LYS 41 CO 0.00 -2.02 2.44 -1.91 -0.92 0.00 0.00 175.35 172.95 1st7 n GLU 42 N 7.19 1.28 -2.80 1.68 2.13 -1.26 -3.97 120.64 124.89 1st7 n GLU 42 Ca 0.40 -0.45 -0.03 0.00 0.66 0.00 0.00 57.16 57.74 1st7 n GLU 42 Cb 0.45 -1.53 0.01 0.00 0.27 0.00 0.00 31.44 30.64 1st7 n GLU 42 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 1st7 s LYS 43 N 0.88 1.04 0.60 5.31 -2.85 -1.26 -5.14 119.74 118.31 1st7 s LYS 43 Ca 0.30 -0.98 -0.17 0.00 -1.00 0.00 0.00 55.97 54.12 1st7 s LYS 43 Cb 0.14 -0.03 -0.03 0.00 -2.06 0.00 0.00 37.83 35.85 1st7 s LYS 43 CO 0.00 -1.30 1.12 -1.25 0.10 0.00 0.00 175.35 174.02 1st7 s PRO 44 N 0.97 3.09 0.00 1.78 0.04 -1.25 -5.03 135.00 134.59 1st7 s PRO 44 Ca 0.29 1.51 0.00 0.00 0.04 0.00 0.00 61.00 62.83 1st7 s PRO 44 Cb -0.00 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.56 1st7 s PRO 44 CO -0.05 -1.04 0.00 0.41 0.04 0.00 0.00 177.00 176.36 1st7 n GLY 45 N -0.16 0.31 0.85 0.56 0.00 -1.26 -4.97 105.19 100.52 1st7 n GLY 45 Ca 0.11 -0.06 -0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 0.15 1.95 -0.61 -5.35 -1.26 -4.63 119.36 109.61 1st7 n ILE 46 Ca 0.00 0.11 0.06 0.00 -0.27 0.00 0.00 62.75 62.65 1st7 n ILE 46 Cb 0.00 -1.15 0.34 0.00 -1.74 0.00 0.00 39.64 37.09 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 -2.63 0.02 -1.41 4.28 1.16 -1.26 -4.62 117.46 112.99 1st7 n PHE 47 Ca -0.00 -0.01 -0.39 0.00 -1.87 0.00 0.00 57.45 55.18 1st7 n PHE 47 Cb 0.01 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 37.85 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 -0.62 8.56 -0.02 5.98 4.13 -1.26 -4.68 115.26 127.34 1st7 n ASN 48 Ca 0.09 -2.65 -0.08 0.00 1.68 0.00 0.00 54.58 53.62 1st7 n ASN 48 Cb 0.05 -1.54 0.10 0.00 -1.54 0.00 0.00 39.78 36.85 1st7 n ASN 48 CO 0.00 0.00 0.00 -0.03 0.28 0.00 0.00 177.26 177.51 1st7 h MET 49 N 4.97 0.61 -0.11 3.52 4.05 -1.95 -1.54 114.93 124.49 1st7 h MET 49 Ca 0.85 -0.30 -0.22 0.00 -0.28 0.00 0.00 59.70 59.75 1st7 h MET 49 Cb 0.29 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.11 1st7 h MET 49 CO 1.75 0.90 -0.78 0.87 0.23 0.00 0.00 176.91 179.88 1st7 h LYS 50 N 0.50 0.72 -0.81 0.39 1.57 -2.00 -3.25 116.57 113.70 1st7 h LYS 50 Ca 0.05 -0.63 -0.02 0.00 -1.87 0.00 0.00 60.65 58.18 1st7 h LYS 50 Cb 0.89 0.14 -0.04 0.00 0.08 0.00 0.00 32.23 33.31 1st7 h LYS 50 CO 0.08 1.23 0.42 -0.44 -0.57 0.00 0.00 179.45 180.17 1st7 h ASP 51 N 0.41 1.02 -1.01 0.86 5.19 -1.91 -0.86 116.42 120.12 1st7 h ASP 51 Ca -0.07 -0.10 0.23 0.00 -0.62 0.00 0.00 57.03 56.47 1st7 h ASP 51 Cb 1.42 -0.26 -0.11 0.00 0.18 0.00 0.00 39.33 40.56 1st7 h ASP 51 CO 0.16 0.83 0.61 0.03 -3.12 0.00 0.00 179.24 177.75 1st7 h ARG 52 N 1.13 0.60 0.02 3.56 3.08 -1.31 0.22 114.38 121.69 1st7 h ARG 52 Ca 0.28 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.25 1st7 h ARG 52 Cb 0.06 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 29.98 1st7 h ARG 52 CO -0.04 0.40 -0.17 1.88 -1.07 0.00 0.00 179.97 180.96 1st7 h TYR 53 N 0.62 0.14 -0.78 3.04 0.05 -1.49 -3.29 116.97 115.27 1st7 h TYR 53 Ca 0.61 -0.09 0.02 0.00 0.05 0.00 0.00 58.73 59.32 1st7 h TYR 53 Cb 1.14 -0.01 -0.04 0.00 1.01 0.00 0.00 36.73 38.83 1st7 h TYR 53 CO -0.00 0.98 0.51 0.87 -1.05 0.00 0.00 178.16 179.46 1st7 h LYS 54 N -0.74 0.98 -0.14 4.88 1.57 -0.74 -1.83 116.57 120.56 1st7 h LYS 54 Ca -0.03 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.61 1st7 h LYS 54 Cb 1.04 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 1st7 h LYS 54 CO 0.03 0.65 -0.30 2.35 -0.57 0.00 0.00 179.45 181.61 1st7 h TRP 55 N 1.01 0.29 -0.02 -1.35 7.01 -0.74 -1.80 115.95 120.35 1st7 h TRP 55 Ca 0.30 -0.06 -0.15 0.00 2.11 0.00 0.00 58.89 61.08 1st7 h TRP 55 Cb -0.06 -0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 26.92 1st7 h TRP 55 CO -0.02 0.54 -0.70 1.49 -2.79 0.00 0.00 178.44 176.95 1st7 h GLU 56 N 0.23 0.09 0.00 2.65 4.81 -1.51 -0.09 114.58 120.77 1st7 h GLU 56 Ca 0.03 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1st7 h GLU 56 Cb 0.65 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.05 1st7 h GLU 56 CO 0.05 0.75 0.00 0.00 -0.73 0.00 0.00 179.01 179.08 1st7 h ALA 57 N 1.22 1.00 0.04 2.92 0.00 -0.96 -2.92 119.26 120.57 1st7 h ALA 57 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.68 1st7 h ALA 57 Cb 1.24 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1st7 h ALA 57 CO 0.10 0.00 -1.17 2.35 0.00 0.00 0.00 179.25 180.52 1st7 h TRP 58 N 0.00 0.16 0.00 0.00 7.01 -0.66 -3.33 115.95 119.13 1st7 h TRP 58 Ca 0.00 -0.12 0.00 0.00 2.11 0.00 0.00 58.89 60.88 1st7 h TRP 58 Cb 0.53 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 27.58 1st7 h TRP 58 CO 0.00 1.46 0.00 -0.85 -2.79 0.00 0.00 178.44 176.26 1st7 n GLU 59 N -4.24 0.08 -0.26 2.65 0.28 -0.11 -0.55 120.64 118.49 1st7 n GLU 59 Ca -0.27 0.26 0.06 0.00 -0.16 0.00 0.00 57.16 57.05 1st7 n GLU 59 Cb 0.74 -1.50 0.30 0.00 1.43 0.00 0.00 31.44 32.41 1st7 n GLU 59 CO 0.00 0.00 0.00 -0.97 -0.16 0.00 0.00 177.13 176.00 1st7 h ASN 60 N 0.00 0.79 -0.21 -1.84 -0.73 -1.62 -3.10 115.58 108.87 1st7 h ASN 60 Ca 0.00 0.01 -0.13 0.00 1.87 0.00 0.00 56.30 58.06 1st7 h ASN 60 Cb 0.10 -0.16 -0.08 0.00 0.27 0.00 0.00 38.32 38.46 1st7 h ASN 60 CO 0.00 0.49 -0.34 0.18 -0.37 0.00 0.00 177.43 177.39 1st7 n LEU 61 N -4.50 3.53 -0.27 0.34 4.32 0.29 -4.85 117.00 115.86 1st7 n LEU 61 Ca 0.14 -3.94 0.26 0.00 -0.02 0.00 0.00 56.01 52.44 1st7 n LEU 61 Cb 0.26 -0.56 0.61 0.00 -1.62 0.00 0.00 43.42 42.10 1st7 n LEU 61 CO 0.32 1.42 1.25 0.07 -1.22 0.00 0.00 177.39 179.23 1st7 h LYS 62 N 1.11 0.21 0.01 3.23 2.10 -1.45 -3.24 116.57 118.55 1st7 h LYS 62 Ca 0.13 -0.01 -0.42 0.00 -2.00 0.00 0.00 60.65 58.35 1st7 h LYS 62 Cb 1.30 -0.05 -0.06 0.00 -0.90 0.00 0.00 32.23 32.52 1st7 h LYS 62 CO 0.24 0.14 -2.35 0.41 -2.00 0.00 0.00 179.45 175.89 1st7 n GLY 63 N -1.60 -0.48 0.03 0.07 0.00 -1.26 -1.79 105.19 100.15 1st7 n GLY 63 Ca 0.22 -0.12 -0.03 0.00 0.00 0.00 0.00 46.02 46.09 1st7 n GLY 63 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1st7 n LYS 64 N -4.01 1.47 -0.74 1.61 5.02 -1.25 -4.93 118.16 115.33 1st7 n LYS 64 Ca -0.49 0.02 -0.11 0.00 -2.02 0.00 0.00 58.31 55.71 1st7 n LYS 64 Cb 0.89 -1.12 0.03 0.00 -0.02 0.00 0.00 35.03 34.81 1st7 n LYS 64 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1st7 n SER 65 N -2.46 5.91 0.09 4.39 2.88 -1.22 -3.30 113.62 119.91 1st7 n SER 65 Ca -0.09 -2.82 -0.21 0.00 -1.33 0.00 0.00 58.87 54.42 1st7 n SER 65 Cb 0.63 -1.05 -0.12 0.00 -0.75 0.00 0.00 64.21 62.91 1st7 n SER 65 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1st7 h GLN 66 N 1.25 0.57 -0.18 -1.46 4.15 -1.77 0.76 115.11 118.43 1st7 h GLN 66 Ca 0.19 -0.77 -0.10 0.00 0.77 0.00 0.00 58.65 58.74 1st7 h GLN 66 Cb 0.98 0.26 -0.01 0.00 0.21 0.00 0.00 27.48 28.92 1st7 h GLN 66 CO 0.49 1.35 -0.32 1.05 -1.93 0.00 0.00 178.83 179.46 1st7 h GLU 67 N 0.25 0.37 0.11 1.69 4.11 -1.92 -2.30 114.58 116.89 1st7 h GLU 67 Ca -0.18 -0.15 -0.21 0.00 0.07 0.00 0.00 59.36 58.89 1st7 h GLU 67 Cb 1.91 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.15 1st7 h GLU 67 CO 0.23 0.65 -1.05 -0.44 0.07 0.00 0.00 179.01 178.47 1st7 h ASP 68 N 0.32 0.35 -0.65 3.06 3.32 -1.81 -3.37 116.42 117.63 1st7 h ASP 68 Ca 0.04 -0.88 0.06 0.00 0.02 0.00 0.00 57.03 56.28 1st7 h ASP 68 Cb 0.72 -0.12 -0.09 0.00 0.22 0.00 0.00 39.33 40.06 1st7 h ASP 68 CO 0.06 1.47 -0.54 0.00 -1.72 0.00 0.00 179.24 178.51 1st7 h ALA 69 N -0.02 -0.64 -0.94 3.45 0.00 -0.65 0.23 119.26 120.69 1st7 h ALA 69 Ca -0.22 0.05 0.28 0.00 0.00 0.00 0.00 54.91 55.02 1st7 h ALA 69 Cb 1.62 1.23 -0.16 0.00 0.00 0.00 0.00 17.79 20.48 1st7 h ALA 69 CO 0.07 -0.96 0.26 1.05 0.00 0.00 0.00 179.25 179.67 1st7 h GLU 70 N -0.19 0.13 0.00 0.00 4.11 -1.62 0.35 114.58 117.37 1st7 h GLU 70 Ca 0.11 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.53 1st7 h GLU 70 Cb 0.47 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1st7 h GLU 70 CO -0.72 0.09 -0.82 0.87 0.07 0.00 0.00 179.01 178.50 1st7 h LYS 71 N 0.14 0.00 0.00 1.06 1.57 -1.46 -3.27 116.57 114.61 1st7 h LYS 71 Ca 0.63 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 59.16 1st7 h LYS 71 Cb 1.36 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.63 1st7 h LYS 71 CO -0.74 0.00 -1.54 0.93 -0.57 0.00 0.00 179.45 177.53 1st7 h GLU 72 N 0.00 0.00 -0.45 3.15 5.08 -0.49 -3.40 114.58 118.47 1st7 h GLU 72 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1st7 h GLU 72 Cb 0.99 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 1st7 h GLU 72 CO 0.00 0.46 0.13 -0.92 -1.00 0.00 0.00 179.01 177.68 1st7 h TYR 73 N 0.00 0.74 -0.96 4.33 3.20 -0.39 -2.37 116.97 121.51 1st7 h TYR 73 Ca -0.22 -0.08 0.17 0.00 3.14 0.00 0.00 58.73 61.74 1st7 h TYR 73 Cb 1.85 -0.21 -0.17 0.00 1.54 0.00 0.00 36.73 39.74 1st7 h TYR 73 CO 0.00 0.67 -0.31 1.51 -1.64 0.00 0.00 178.16 178.39 1st7 n ILE 74 N -4.53 -0.46 0.21 1.81 3.06 -1.23 -0.79 119.36 117.43 1st7 n ILE 74 Ca 0.01 2.23 0.09 0.00 -2.50 0.00 0.00 62.75 62.58 1st7 n ILE 74 Cb 0.20 -3.02 0.30 0.00 0.54 0.00 0.00 39.64 37.66 1st7 n ILE 74 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1st7 h ALA 75 N 1.63 0.92 0.37 1.51 0.00 -1.65 -0.63 119.26 121.40 1st7 h ALA 75 Ca 0.40 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1st7 h ALA 75 Cb 0.64 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1st7 h ALA 75 CO -0.98 0.28 -0.18 -0.07 0.00 0.00 0.00 179.25 178.30 1st7 h LEU 76 N 0.00 -0.42 -1.72 0.00 3.38 -1.10 -3.35 115.31 112.10 1st7 h LEU 76 Ca -0.00 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1st7 h LEU 76 Cb 0.95 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 1st7 h LEU 76 CO 0.03 -0.15 -0.15 0.58 0.09 0.00 0.00 178.44 178.84 1st7 h VAL 77 N -0.80 0.59 -0.54 1.22 2.07 -0.88 -0.43 116.25 117.48 1st7 h VAL 77 Ca -0.05 -0.68 0.01 0.00 0.82 0.00 0.00 66.70 66.80 1st7 h VAL 77 Cb 0.38 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 1st7 h VAL 77 CO 0.08 0.15 0.34 0.44 0.02 0.00 0.00 177.57 178.60 1st7 h ASP 78 N 0.00 0.58 1.41 0.57 5.19 -1.27 0.27 116.42 123.16 1st7 h ASP 78 Ca -0.00 -0.01 -0.10 0.00 -0.62 0.00 0.00 57.03 56.30 1st7 h ASP 78 Cb 0.43 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.80 1st7 h ASP 78 CO 0.02 0.41 -0.61 1.56 -3.12 0.00 0.00 179.24 177.50 1st7 h GLN 79 N 0.69 0.00 0.01 3.56 1.08 -1.26 -2.37 115.11 116.82 1st7 h GLN 79 Ca 0.21 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.41 1st7 h GLN 79 Cb -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.40 1st7 h GLN 79 CO -0.07 0.39 -0.00 -0.07 -0.95 0.00 0.00 178.83 178.13 1st7 h LEU 80 N 0.00 -0.01 -1.24 1.46 3.38 -1.03 -2.96 115.31 114.91 1st7 h LEU 80 Ca -0.03 -0.57 -0.06 0.00 0.09 0.00 0.00 57.88 57.32 1st7 h LEU 80 Cb 1.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 1st7 h LEU 80 CO 0.05 0.56 -0.10 0.40 0.09 0.00 0.00 178.44 179.45 1st7 h ILE 81 N -0.58 1.20 -0.31 1.22 2.04 -0.54 0.24 117.51 120.78 1st7 h ILE 81 Ca -0.00 -0.88 0.08 0.00 1.00 0.00 0.00 64.86 65.06 1st7 h ILE 81 Cb 0.57 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 1st7 h ILE 81 CO 0.00 0.28 0.22 0.00 0.00 0.00 0.00 178.15 178.66 1st7 h ALA 82 N 1.53 2.19 0.13 1.87 0.00 -1.42 0.27 119.26 123.83 1st7 h ALA 82 Ca 0.08 -0.01 -0.34 0.00 0.00 0.00 0.00 54.91 54.63 1st7 h ALA 82 Cb 0.41 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1st7 h ALA 82 CO 0.02 -0.27 -1.78 -0.22 0.00 0.00 0.00 179.25 176.99 1st7 h LYS 83 N 0.08 0.28 0.00 0.00 3.64 -1.14 -3.43 116.57 116.01 1st7 h LYS 83 Ca 0.15 -0.48 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 1st7 h LYS 83 Cb 0.48 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1st7 h LYS 83 CO -0.01 1.16 -1.04 0.66 -2.27 0.00 0.00 179.45 177.95 1st7 n TYR 84 N -3.47 0.00 -0.31 1.91 4.01 0.75 -4.68 117.16 115.37 1st7 n TYR 84 Ca -0.25 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.45 1st7 n TYR 84 Cb 1.06 -0.12 0.01 0.00 -0.31 0.00 0.00 39.34 39.97 1st7 n TYR 84 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1st7 h SER 85 N 0.00 -1.43 0.00 7.72 4.64 -0.70 -3.33 113.55 120.45 1st7 h SER 85 Ca 0.00 0.28 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1st7 h SER 85 Cb 0.46 0.71 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1st7 h SER 85 CO 0.00 -0.30 0.00 -0.24 -0.87 0.00 0.00 176.83 175.42