#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 0.96 -0.12 6.55 4.64 -1.97 -2.20 113.55 121.41 1st7 h SER 2 Ca 0.00 -0.25 -0.15 0.00 -0.47 0.00 0.00 61.79 60.92 1st7 h SER 2 Cb 0.00 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 61.83 1st7 h SER 2 CO 0.00 0.96 -0.45 1.56 -0.87 0.00 0.00 176.83 178.03 1st7 h GLN 3 N 0.92 0.68 -0.39 4.77 4.20 -2.00 -2.21 115.11 121.08 1st7 h GLN 3 Ca 0.19 -0.38 -0.05 0.00 0.06 0.00 0.00 58.65 58.47 1st7 h GLN 3 Cb 0.39 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 1st7 h GLN 3 CO 0.01 0.99 0.03 1.25 -0.67 0.00 0.00 178.83 180.43 1st7 h LEU 4 N 0.54 0.65 -0.76 1.46 5.85 -1.96 -1.92 115.31 119.18 1st7 h LEU 4 Ca 0.03 -0.29 0.17 0.00 0.84 0.00 0.00 57.88 58.64 1st7 h LEU 4 Cb 1.00 -0.17 -0.12 0.00 0.37 0.00 0.00 40.66 41.73 1st7 h LEU 4 CO 0.09 0.77 0.14 0.15 -0.34 0.00 0.00 178.44 179.26 1st7 h PHE 5 N 0.50 0.20 0.05 1.25 3.04 -1.14 0.10 116.94 120.94 1st7 h PHE 5 Ca 0.11 0.05 -0.25 0.00 3.98 0.00 0.00 57.97 61.86 1st7 h PHE 5 Cb 0.43 0.03 0.01 0.00 2.56 0.00 0.00 35.95 38.97 1st7 h PHE 5 CO 0.03 -0.15 -1.06 0.93 -2.02 0.00 0.00 178.31 176.05 1st7 h GLU 6 N 0.21 0.41 0.19 1.11 5.08 -1.15 0.11 114.58 120.55 1st7 h GLU 6 Ca 0.43 -0.51 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1st7 h GLU 6 Cb 0.78 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1st7 h GLU 6 CO -0.57 1.17 -0.09 1.49 -1.00 0.00 0.00 179.01 180.01 1st7 h GLU 7 N 0.20 -0.24 0.00 2.33 4.57 -0.79 -3.13 114.58 117.52 1st7 h GLU 7 Ca -0.11 0.02 -0.09 0.00 -1.18 0.00 0.00 59.36 58.00 1st7 h GLU 7 Cb 1.72 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 30.35 1st7 h GLU 7 CO 0.18 -0.14 -0.78 0.87 -1.18 0.00 0.00 179.01 177.96 1st7 h LYS 8 N -0.28 0.00 -0.17 1.92 1.79 -0.84 -3.05 116.57 115.93 1st7 h LYS 8 Ca -0.03 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.41 1st7 h LYS 8 Cb 0.22 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.86 1st7 h LYS 8 CO 0.04 0.27 -0.03 0.00 -1.08 0.00 0.00 179.45 178.65 1st7 h ALA 9 N 1.65 0.23 0.00 3.86 0.00 -0.84 -0.67 119.26 123.49 1st7 h ALA 9 Ca -0.05 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1st7 h ALA 9 Cb 1.31 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1st7 h ALA 9 CO 0.04 -0.02 0.00 0.87 0.00 0.00 0.00 179.25 180.14 1st7 h LYS 10 N 0.03 0.00 0.25 0.00 1.57 -1.67 -0.95 116.57 115.80 1st7 h LYS 10 Ca 0.04 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1st7 h LYS 10 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1st7 h LYS 10 CO 0.02 0.00 -0.12 0.00 -0.57 0.00 0.00 179.45 178.77 1st7 h ALA 11 N 2.18 -0.50 -0.12 3.86 0.00 -1.35 -3.36 119.26 119.97 1st7 h ALA 11 Ca 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1st7 h ALA 11 Cb 0.33 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1st7 h ALA 11 CO 0.00 -0.47 -0.08 -0.39 0.00 0.00 0.00 179.25 178.31 1st7 h VAL 12 N -0.70 1.13 0.00 0.00 -1.51 -0.60 0.96 116.25 115.54 1st7 h VAL 12 Ca -0.03 -0.57 0.00 0.00 -1.23 0.00 0.00 66.70 64.86 1st7 h VAL 12 Cb 0.26 1.13 0.00 0.00 -2.13 0.00 0.00 31.29 30.55 1st7 h VAL 12 CO 0.06 0.18 0.00 0.59 -1.23 0.00 0.00 177.57 177.17 1st7 n ASN 13 N -4.34 0.64 -1.12 4.19 3.02 -0.41 -3.40 115.26 113.83 1st7 n ASN 13 Ca -0.01 0.63 0.03 0.00 -0.03 0.00 0.00 54.58 55.20 1st7 n ASN 13 Cb 0.22 -0.77 0.04 0.00 -0.61 0.00 0.00 39.78 38.65 1st7 n ASN 13 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1st7 n GLU 14 N -2.17 0.19 -1.37 3.52 1.02 -0.07 -4.92 120.64 116.83 1st7 n GLU 14 Ca 0.03 -1.89 -0.30 0.00 -0.02 0.00 0.00 57.16 54.98 1st7 n GLU 14 Cb 0.28 -0.33 0.11 0.00 -0.02 0.00 0.00 31.44 31.48 1st7 n GLU 14 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1st7 s LEU 15 N -0.40 2.49 0.29 -4.62 1.43 0.14 -4.96 118.68 113.05 1st7 s LEU 15 Ca 0.26 1.44 0.11 0.00 -1.03 0.00 0.00 54.13 54.90 1st7 s LEU 15 Cb 0.29 -3.98 0.42 0.00 0.03 0.00 0.00 46.19 42.94 1st7 s LEU 15 CO -0.11 -2.26 1.65 1.55 0.23 0.00 0.00 176.35 177.40 1st7 h PRO 16 N -1.29 0.00 -3.36 1.29 0.13 -1.87 -3.24 132.00 123.65 1st7 h PRO 16 Ca -0.48 0.00 -0.78 0.00 -0.87 0.00 0.00 66.00 63.87 1st7 h PRO 16 Cb 1.27 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.10 1st7 h PRO 16 CO 0.56 0.58 0.40 2.41 -0.23 0.00 0.00 178.00 181.72 1st7 n THR 17 N -3.84 4.39 -1.48 1.56 -1.04 -1.25 -5.05 114.28 107.57 1st7 n THR 17 Ca -0.01 -5.44 -0.36 0.00 -2.04 0.00 0.00 64.05 56.20 1st7 n THR 17 Cb 0.58 -2.45 0.09 0.00 -1.82 0.00 0.00 70.33 66.73 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 2.31 0.73 -2.13 -2.82 5.02 -1.23 -4.73 118.16 115.32 1st7 n LYS 18 Ca 0.24 0.31 -0.41 0.00 -2.02 0.00 0.00 58.31 56.43 1st7 n LYS 18 Cb 0.38 -2.41 -0.02 0.00 -0.02 0.00 0.00 35.03 32.95 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 -3.50 4.36 0.78 1.97 0.02 -1.26 -4.96 135.00 132.40 1st7 s PRO 19 Ca 0.78 2.18 -0.11 0.00 0.02 0.00 0.00 61.00 63.88 1st7 s PRO 19 Cb -0.35 -3.11 0.06 0.00 0.02 0.00 0.00 34.50 31.12 1st7 s PRO 19 CO 0.45 -0.23 1.09 0.45 -0.33 0.00 0.00 177.00 178.43 1st7 s SER 20 N -0.16 4.49 0.12 2.53 0.15 -1.26 -4.55 113.70 115.02 1st7 s SER 20 Ca 0.52 1.76 -0.25 0.00 0.70 0.00 0.00 55.95 58.68 1st7 s SER 20 Cb -0.39 -2.48 -0.05 0.00 -1.71 0.00 0.00 66.02 61.39 1st7 s SER 20 CO 0.47 -2.04 1.64 0.74 1.20 0.00 0.00 173.24 175.26 1st7 h THR 21 N -1.13 0.44 0.00 6.45 2.02 -1.99 0.25 112.91 118.95 1st7 h THR 21 Ca -0.44 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.74 1st7 h THR 21 Cb 1.23 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1st7 h THR 21 CO 0.52 0.00 0.00 0.44 0.37 0.00 0.00 175.52 176.85 1st7 h ASP 22 N -0.37 0.00 0.10 4.18 5.19 -2.02 -3.29 116.42 120.22 1st7 h ASP 22 Ca 0.07 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.26 1st7 h ASP 22 Cb 0.46 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.97 1st7 h ASP 22 CO -0.22 0.00 -1.06 -0.33 -3.12 0.00 0.00 179.24 174.51 1st7 h GLU 23 N 0.00 0.21 -1.11 3.56 5.08 -1.58 -3.33 114.58 117.41 1st7 h GLU 23 Ca 0.00 -0.36 0.31 0.00 -1.00 0.00 0.00 59.36 58.31 1st7 h GLU 23 Cb 0.80 0.13 -0.08 0.00 0.50 0.00 0.00 28.75 30.11 1st7 h GLU 23 CO 0.00 1.17 0.75 1.25 -1.00 0.00 0.00 179.01 181.18 1st7 h LEU 24 N -0.47 0.27 -0.19 1.33 5.85 -0.63 -0.31 115.31 121.16 1st7 h LEU 24 Ca -0.22 0.06 -0.22 0.00 0.84 0.00 0.00 57.88 58.34 1st7 h LEU 24 Cb 1.60 0.02 0.01 0.00 0.37 0.00 0.00 40.66 42.65 1st7 h LEU 24 CO 0.06 0.03 -0.74 0.17 -0.34 0.00 0.00 178.44 177.61 1st7 h LEU 25 N 0.22 0.93 -0.29 2.25 8.10 -1.67 0.20 115.31 125.06 1st7 h LEU 25 Ca 0.60 -0.59 -0.20 0.00 0.11 0.00 0.00 57.88 57.80 1st7 h LEU 25 Cb 1.87 -0.27 0.00 0.00 -0.44 0.00 0.00 40.66 41.82 1st7 h LEU 25 CO -0.20 1.39 -0.69 -0.08 -4.11 0.00 0.00 178.44 174.75 1st7 h GLU 26 N 0.55 0.71 -0.39 0.17 4.81 -1.53 -2.01 114.58 116.89 1st7 h GLU 26 Ca -0.04 -0.53 0.03 0.00 -0.13 0.00 0.00 59.36 58.69 1st7 h GLU 26 Cb 1.37 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.81 1st7 h GLU 26 CO 0.15 1.15 0.20 1.25 -0.73 0.00 0.00 179.01 181.03 1st7 h LEU 27 N 0.51 0.29 -0.01 1.64 7.12 -1.07 -2.63 115.31 121.17 1st7 h LEU 27 Ca -0.03 0.02 0.03 0.00 0.13 0.00 0.00 57.88 58.03 1st7 h LEU 27 Cb 1.29 -0.04 -0.06 0.00 -0.53 0.00 0.00 40.66 41.33 1st7 h LEU 27 CO 0.14 0.21 -0.45 0.22 -0.13 0.00 0.00 178.44 178.43 1st7 h TYR 28 N 0.40 -1.29 -0.59 1.25 5.03 -0.50 0.12 116.97 121.39 1st7 h TYR 28 Ca 0.17 0.04 0.12 0.00 2.58 0.00 0.00 58.73 61.64 1st7 h TYR 28 Cb 0.07 0.57 -0.11 0.00 1.55 0.00 0.00 36.73 38.81 1st7 h TYR 28 CO -0.10 -0.52 -0.06 0.00 -1.32 0.00 0.00 178.16 176.16 1st7 h ALA 29 N -0.12 0.51 0.01 1.82 0.00 -1.10 0.25 119.26 120.63 1st7 h ALA 29 Ca 0.04 0.20 -0.26 0.00 0.00 0.00 0.00 54.91 54.89 1st7 h ALA 29 Cb 0.67 0.37 0.02 0.00 0.00 0.00 0.00 17.79 18.85 1st7 h ALA 29 CO -0.33 -0.41 -1.05 -0.07 0.00 0.00 0.00 179.25 177.39 1st7 h LEU 30 N 0.06 0.82 0.55 0.00 -0.00 -1.43 -1.05 115.31 114.27 1st7 h LEU 30 Ca 0.30 -0.67 -0.02 0.00 -0.00 0.00 0.00 57.88 57.49 1st7 h LEU 30 Cb 0.48 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 40.88 1st7 h LEU 30 CO -0.55 1.47 -0.42 0.22 -0.00 0.00 0.00 178.44 179.16 1st7 h TYR 31 N 0.34 -1.13 -0.85 1.13 3.20 -0.46 -2.16 116.97 117.03 1st7 h TYR 31 Ca -0.13 -0.00 0.12 0.00 3.14 0.00 0.00 58.73 61.86 1st7 h TYR 31 Cb 1.70 0.42 -0.06 0.00 1.54 0.00 0.00 36.73 40.33 1st7 h TYR 31 CO 0.09 -0.59 0.55 0.87 -1.64 0.00 0.00 178.16 177.45 1st7 h LYS 32 N -0.93 0.71 0.39 1.82 1.79 -0.61 -0.18 116.57 119.56 1st7 h LYS 32 Ca -0.07 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.35 1st7 h LYS 32 Cb 0.77 -0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 31.23 1st7 h LYS 32 CO 0.02 0.47 -0.49 1.96 -1.08 0.00 0.00 179.45 180.33 1st7 h GLN 33 N 0.74 -0.87 -0.00 3.15 1.08 -0.95 -1.94 115.11 116.31 1st7 h GLN 33 Ca 0.41 0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.67 1st7 h GLN 33 Cb 0.57 0.20 0.00 0.00 -0.05 0.00 0.00 27.48 28.20 1st7 h GLN 33 CO -0.17 -0.58 -0.13 0.00 -0.95 0.00 0.00 178.83 176.99 1st7 n ALA 34 N -2.82 2.69 0.10 3.87 0.00 -0.83 -0.07 120.51 123.44 1st7 n ALA 34 Ca -0.11 -0.19 -0.04 0.00 0.00 0.00 0.00 53.44 53.11 1st7 n ALA 34 Cb 0.43 -1.37 -0.02 0.00 0.00 0.00 0.00 19.45 18.49 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 0.10 0.00 0.00 0.00 2.02 -0.88 -3.42 112.91 110.74 1st7 h THR 35 Ca 0.00 -0.05 -0.10 0.00 0.77 0.00 0.00 66.41 67.03 1st7 h THR 35 Cb 0.45 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.85 1st7 h THR 35 CO 0.00 0.00 -0.71 -0.37 0.37 0.00 0.00 175.52 174.81 1st7 h VAL 36 N -0.30 0.64 0.00 3.16 -1.51 -1.41 -3.50 116.25 113.34 1st7 h VAL 36 Ca -0.03 -1.70 0.00 0.00 -1.23 0.00 0.00 66.70 63.75 1st7 h VAL 36 Cb 0.19 1.43 0.00 0.00 -2.13 0.00 0.00 31.29 30.78 1st7 h VAL 36 CO 0.04 0.22 0.00 0.61 -1.23 0.00 0.00 177.57 177.21 1st7 n GLY 37 N 1.55 0.73 3.66 5.19 0.00 0.90 -5.08 105.19 112.14 1st7 n GLY 37 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.96 3.97 -0.95 1.61 1.01 -1.26 -4.35 116.67 115.74 1st7 s ASP 38 Ca 0.00 -1.40 -0.20 0.00 0.71 0.00 0.00 52.55 51.66 1st7 s ASP 38 Cb 0.00 -0.22 -0.11 0.00 1.01 0.00 0.00 42.92 43.61 1st7 s ASP 38 CO 0.00 -0.54 2.00 -0.46 0.21 0.00 0.00 175.17 176.38 1st7 n ASN 39 N -1.05 2.87 0.09 0.27 6.94 -0.11 -4.76 115.26 119.52 1st7 n ASN 39 Ca -0.07 -2.72 -0.22 0.00 -0.02 0.00 0.00 54.58 51.54 1st7 n ASN 39 Cb 0.67 -1.26 -0.14 0.00 -2.36 0.00 0.00 39.78 36.68 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 7.43 0.70 -1.64 0.53 1.82 -1.94 -3.40 116.42 119.92 1st7 h ASP 40 Ca 0.46 -0.90 -0.70 0.00 -0.39 0.00 0.00 57.03 55.50 1st7 h ASP 40 Cb 0.66 -0.22 -0.14 0.00 0.68 0.00 0.00 39.33 40.31 1st7 h ASP 40 CO 1.94 1.54 1.63 -0.54 -1.61 0.00 0.00 179.24 182.20 1st7 s LYS 41 N -2.67 3.98 -0.18 0.28 -0.14 -1.26 -4.84 119.74 114.91 1st7 s LYS 41 Ca -0.11 -2.20 -0.04 0.00 -1.36 0.00 0.00 55.97 52.25 1st7 s LYS 41 Cb 0.03 -5.25 -0.09 0.00 -1.68 0.00 0.00 37.83 30.84 1st7 s LYS 41 CO 0.89 -1.98 3.04 -1.91 -0.76 0.00 0.00 175.35 174.64 1st7 n GLU 42 N 6.95 2.01 -3.28 1.68 2.13 -1.26 -4.25 120.64 124.61 1st7 n GLU 42 Ca 0.40 -1.38 -0.08 0.00 0.66 0.00 0.00 57.16 56.75 1st7 n GLU 42 Cb 0.45 -1.91 -0.04 0.00 0.27 0.00 0.00 31.44 30.21 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 -0.23 0.74 0.98 5.31 2.20 -1.26 -5.16 119.74 122.32 1st7 s LYS 43 Ca 0.54 -0.59 -0.16 0.00 -0.36 0.00 0.00 55.97 55.40 1st7 s LYS 43 Cb 0.30 -0.33 0.22 0.00 -1.51 0.00 0.00 37.83 36.51 1st7 s LYS 43 CO -0.07 -1.20 1.34 -1.25 -0.36 0.00 0.00 175.35 173.80 1st7 s PRO 44 N 1.60 0.46 0.73 4.03 0.04 -1.26 -5.06 135.00 135.54 1st7 s PRO 44 Ca 0.17 -0.53 -0.12 0.00 0.04 0.00 0.00 61.00 60.56 1st7 s PRO 44 Cb -0.10 -1.85 0.19 0.00 0.04 0.00 0.00 34.50 32.78 1st7 s PRO 44 CO -0.05 -2.52 0.50 0.41 0.04 0.00 0.00 177.00 175.38 1st7 n GLY 45 N -3.81 -3.43 0.10 0.56 0.00 -1.26 -5.00 105.19 92.35 1st7 n GLY 45 Ca 0.16 -1.34 -0.20 0.00 0.00 0.00 0.00 46.02 44.65 1st7 n GLY 45 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1st7 h ILE 46 N -2.62 1.12 -0.54 -0.61 3.07 -2.04 -3.34 117.51 112.55 1st7 h ILE 46 Ca -0.21 -2.21 -0.27 0.00 1.55 0.00 0.00 64.86 63.72 1st7 h ILE 46 Cb 0.68 2.49 -0.16 0.00 -0.27 0.00 0.00 36.82 39.56 1st7 h ILE 46 CO 0.13 0.38 0.35 2.22 -1.05 0.00 0.00 178.15 180.18 1st7 n PHE 47 N -4.48 1.68 -1.70 0.16 1.16 -1.26 -4.99 117.46 108.03 1st7 n PHE 47 Ca -0.26 -1.21 -0.43 0.00 -1.87 0.00 0.00 57.45 53.69 1st7 n PHE 47 Cb 0.62 -0.62 -0.03 0.00 -1.61 0.00 0.00 39.48 37.84 1st7 n PHE 47 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 1st7 s ASN 48 N -0.28 6.00 0.08 5.98 6.03 -1.26 -4.81 114.94 126.70 1st7 s ASN 48 Ca 0.32 2.21 0.00 0.00 -1.03 0.00 0.00 52.86 54.35 1st7 s ASN 48 Cb 0.26 -2.52 0.00 0.00 -3.03 0.00 0.00 41.25 35.96 1st7 s ASN 48 CO 0.06 -1.48 0.00 0.80 -2.03 0.00 0.00 177.10 174.46 1st7 n MET 49 N 8.09 0.00 -0.27 3.55 1.56 -1.26 -4.67 117.12 124.11 1st7 n MET 49 Ca 0.24 0.00 -0.03 0.00 -0.27 0.00 0.00 57.70 57.64 1st7 n MET 49 Cb 0.43 -0.18 0.08 0.00 2.15 0.00 0.00 33.22 35.71 1st7 n MET 49 CO 0.00 0.00 0.00 0.87 -0.73 0.00 0.00 175.97 176.11 1st7 h LYS 50 N 0.00 0.93 0.00 2.12 1.79 -2.01 -1.90 116.57 117.50 1st7 h LYS 50 Ca 0.00 -0.06 -0.03 0.00 -2.18 0.00 0.00 60.65 58.39 1st7 h LYS 50 Cb 0.00 -0.21 -0.00 0.00 -1.58 0.00 0.00 32.23 30.44 1st7 h LYS 50 CO 0.00 0.62 -0.13 -0.44 -1.08 0.00 0.00 179.45 178.41 1st7 h ASP 51 N 0.96 0.00 -0.19 0.86 5.19 -1.95 -1.98 116.42 119.30 1st7 h ASP 51 Ca 0.30 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.66 1st7 h ASP 51 Cb -0.02 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.49 1st7 h ASP 51 CO -0.10 0.13 -0.05 0.03 -3.12 0.00 0.00 179.24 176.13 1st7 h ARG 52 N 0.00 0.38 -0.24 3.56 3.08 -1.62 0.16 114.38 119.70 1st7 h ARG 52 Ca -0.00 -0.15 0.03 0.00 0.07 0.00 0.00 59.98 59.93 1st7 h ARG 52 Cb 0.29 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 1st7 h ARG 52 CO 0.02 0.64 0.05 1.88 -1.07 0.00 0.00 179.97 181.49 1st7 h TYR 53 N 0.09 0.09 0.06 3.04 0.05 -1.31 0.89 116.97 119.89 1st7 h TYR 53 Ca 0.05 0.01 0.03 0.00 0.05 0.00 0.00 58.73 58.87 1st7 h TYR 53 Cb 0.50 -0.01 -0.04 0.00 1.01 0.00 0.00 36.73 38.20 1st7 h TYR 53 CO 0.05 0.03 -0.28 0.87 -1.05 0.00 0.00 178.16 177.78 1st7 h LYS 54 N 0.15 -0.44 0.00 4.88 1.57 -1.36 -1.14 116.57 120.23 1st7 h LYS 54 Ca 0.11 0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.81 1st7 h LYS 54 Cb 0.10 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 1st7 h LYS 54 CO -0.14 -0.30 -0.51 2.35 -0.57 0.00 0.00 179.45 180.28 1st7 h TRP 55 N -0.46 0.00 -0.36 -1.35 7.01 -0.79 -1.96 115.95 118.04 1st7 h TRP 55 Ca 0.05 0.00 -0.16 0.00 2.11 0.00 0.00 58.89 60.89 1st7 h TRP 55 Cb 0.52 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.57 1st7 h TRP 55 CO -0.28 0.51 -0.40 1.49 -2.79 0.00 0.00 178.44 176.97 1st7 h GLU 56 N 0.00 0.87 0.00 2.65 4.81 -0.75 0.16 114.58 122.32 1st7 h GLU 56 Ca -0.01 -0.46 -0.06 0.00 -0.13 0.00 0.00 59.36 58.71 1st7 h GLU 56 Cb 0.94 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.33 1st7 h GLU 56 CO 0.07 1.10 -0.28 0.00 -0.73 0.00 0.00 179.01 179.16 1st7 h ALA 57 N 0.84 1.15 0.09 2.92 0.00 -0.97 -2.29 119.26 120.99 1st7 h ALA 57 Ca 0.06 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.55 1st7 h ALA 57 Cb 0.97 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.74 1st7 h ALA 57 CO 0.09 0.36 -0.65 2.35 0.00 0.00 0.00 179.25 181.40 1st7 h TRP 58 N 0.00 0.49 -0.01 0.00 7.01 -1.10 -3.27 115.95 119.07 1st7 h TRP 58 Ca -0.00 -0.33 0.00 0.00 2.11 0.00 0.00 58.89 60.67 1st7 h TRP 58 Cb 0.68 -0.03 -0.00 0.00 -2.10 0.00 0.00 29.16 27.71 1st7 h TRP 58 CO 0.00 1.22 0.06 1.49 -2.79 0.00 0.00 178.44 178.42 1st7 h GLU 59 N -0.39 0.00 -0.01 2.65 4.81 -0.58 0.74 114.58 121.80 1st7 h GLU 59 Ca -0.11 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 1st7 h GLU 59 Cb 1.47 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.85 1st7 h GLU 59 CO 0.12 0.00 -0.05 -0.97 -0.73 0.00 0.00 179.01 177.38 1st7 h ASN 60 N 0.00 0.02 -0.26 1.04 -0.73 -1.46 -3.12 115.58 111.07 1st7 h ASN 60 Ca 0.00 -0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1st7 h ASN 60 Cb 0.12 -0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.70 1st7 h ASN 60 CO -0.00 0.07 0.00 0.18 -0.37 0.00 0.00 177.43 177.31 1st7 n LEU 61 N -4.47 2.67 -0.18 0.34 4.77 0.23 -4.95 117.00 115.41 1st7 n LEU 61 Ca -0.03 -1.95 0.15 0.00 -0.03 0.00 0.00 56.01 54.15 1st7 n LEU 61 Cb 0.14 -0.17 0.24 0.00 -2.33 0.00 0.00 43.42 41.29 1st7 n LEU 61 CO 0.35 0.66 0.43 2.29 -1.33 0.00 0.00 177.39 179.79 1st7 n LYS 62 N 0.30 -0.01 -1.52 3.23 2.85 -1.09 -2.20 118.16 119.73 1st7 n LYS 62 Ca 0.09 0.39 -0.05 0.00 -1.05 0.00 0.00 58.31 57.69 1st7 n LYS 62 Cb 0.38 -0.81 -0.01 0.00 -0.65 0.00 0.00 35.03 33.94 1st7 n LYS 62 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1st7 n GLY 63 N -1.21 0.98 0.31 2.58 0.00 -1.26 -0.93 105.19 105.65 1st7 n GLY 63 Ca 0.14 -0.10 -0.04 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.43 0.12 -1.14 1.61 2.85 -0.93 -4.89 118.16 115.35 1st7 n LYS 64 Ca -0.23 0.04 -0.19 0.00 -1.05 0.00 0.00 58.31 56.87 1st7 n LYS 64 Cb 0.77 -0.96 -0.04 0.00 -0.65 0.00 0.00 35.03 34.14 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 -2.86 6.16 0.03 -5.58 7.64 -1.19 -3.41 113.62 114.41 1st7 n SER 65 Ca -0.10 -2.97 -0.16 0.00 1.01 0.00 0.00 58.87 56.66 1st7 n SER 65 Cb 0.59 -1.20 -0.05 0.00 -1.01 0.00 0.00 64.21 62.53 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 2.37 0.61 -0.10 1.43 4.15 -1.78 -1.26 115.11 120.53 1st7 h GLN 66 Ca 0.29 -0.57 -0.11 0.00 0.77 0.00 0.00 58.65 59.04 1st7 h GLN 66 Cb 0.94 0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.78 1st7 h GLN 66 CO 0.66 1.19 -0.35 0.93 -1.93 0.00 0.00 178.83 179.33 1st7 h GLU 67 N 0.39 0.42 -0.01 1.69 5.08 -1.94 -3.05 114.58 117.16 1st7 h GLU 67 Ca -0.07 -0.31 -0.06 0.00 -1.00 0.00 0.00 59.36 57.91 1st7 h GLU 67 Cb 1.50 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.81 1st7 h GLU 67 CO 0.17 0.94 -0.24 -0.44 -1.00 0.00 0.00 179.01 178.43 1st7 h ASP 68 N -0.01 0.24 -0.68 1.42 3.32 -1.77 -3.35 116.42 115.58 1st7 h ASP 68 Ca -0.01 -0.74 0.07 0.00 0.02 0.00 0.00 57.03 56.37 1st7 h ASP 68 Cb 0.97 -0.07 -0.10 0.00 0.22 0.00 0.00 39.33 40.35 1st7 h ASP 68 CO 0.07 0.94 -0.56 0.00 -1.72 0.00 0.00 179.24 177.98 1st7 h ALA 69 N 0.30 -0.63 -1.16 3.45 0.00 -1.28 0.92 119.26 120.85 1st7 h ALA 69 Ca -0.03 0.06 0.34 0.00 0.00 0.00 0.00 54.91 55.28 1st7 h ALA 69 Cb 0.97 1.22 -0.05 0.00 0.00 0.00 0.00 17.79 19.93 1st7 h ALA 69 CO 0.05 -0.99 0.88 1.05 0.00 0.00 0.00 179.25 180.23 1st7 h GLU 70 N -0.21 0.00 0.06 0.00 4.11 -1.69 0.45 114.58 117.30 1st7 h GLU 70 Ca 0.12 0.00 -0.32 0.00 0.07 0.00 0.00 59.36 59.24 1st7 h GLU 70 Cb 0.52 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 1st7 h GLU 70 CO -0.76 0.00 -1.75 0.87 0.07 0.00 0.00 179.01 177.44 1st7 h LYS 71 N 0.00 0.14 -0.02 1.06 1.57 -1.27 -0.12 116.57 117.93 1st7 h LYS 71 Ca 0.55 -0.23 -0.15 0.00 -1.87 0.00 0.00 60.65 58.95 1st7 h LYS 71 Cb 2.30 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 34.68 1st7 h LYS 71 CO -0.01 0.86 -0.68 0.93 -0.57 0.00 0.00 179.45 179.98 1st7 h GLU 72 N 0.04 0.09 0.04 3.15 4.39 -0.12 -3.38 114.58 118.78 1st7 h GLU 72 Ca -0.32 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.31 1st7 h GLU 72 Cb 2.02 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.68 1st7 h GLU 72 CO 0.10 0.74 -0.02 -0.92 -1.16 0.00 0.00 179.01 177.75 1st7 h TYR 73 N 0.06 -0.05 -1.00 4.33 3.20 -0.28 -2.16 116.97 121.08 1st7 h TYR 73 Ca -0.01 -0.00 0.24 0.00 3.14 0.00 0.00 58.73 62.10 1st7 h TYR 73 Cb 1.21 0.02 -0.19 0.00 1.54 0.00 0.00 36.73 39.31 1st7 h TYR 73 CO 0.01 0.34 -0.09 1.51 -1.64 0.00 0.00 178.16 178.29 1st7 n ILE 74 N -4.93 -0.42 -0.01 1.81 3.06 -1.26 -0.84 119.36 116.78 1st7 n ILE 74 Ca -0.08 2.23 -0.13 0.00 -2.50 0.00 0.00 62.75 62.27 1st7 n ILE 74 Cb 0.21 -3.19 -0.10 0.00 0.54 0.00 0.00 39.64 37.10 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 2.00 -0.01 -0.33 1.51 0.00 -1.58 -1.03 119.26 119.82 1st7 h ALA 75 Ca 0.55 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 55.14 1st7 h ALA 75 Cb 1.04 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1st7 h ALA 75 CO -0.98 -0.27 -0.13 1.37 0.00 0.00 0.00 179.25 179.24 1st7 h LEU 76 N -0.48 0.69 -1.75 0.00 8.10 -1.21 -2.93 115.31 117.73 1st7 h LEU 76 Ca -0.00 -0.39 -0.03 0.00 0.11 0.00 0.00 57.88 57.56 1st7 h LEU 76 Cb 0.47 -0.19 -0.00 0.00 -0.44 0.00 0.00 40.66 40.50 1st7 h LEU 76 CO 0.00 0.93 -0.16 0.58 -4.11 0.00 0.00 178.44 175.68 1st7 h VAL 77 N 0.44 0.66 -0.69 0.15 2.07 -1.06 -1.84 116.25 115.99 1st7 h VAL 77 Ca 0.08 -0.67 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 1st7 h VAL 77 Cb 0.66 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.81 1st7 h VAL 77 CO 0.04 0.15 0.33 -0.78 0.02 0.00 0.00 177.57 177.33 1st7 h ASP 78 N 0.00 0.90 0.22 0.57 3.58 -0.99 0.27 116.42 120.97 1st7 h ASP 78 Ca -0.00 -0.13 -0.07 0.00 0.42 0.00 0.00 57.03 57.25 1st7 h ASP 78 Cb 0.41 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.21 1st7 h ASP 78 CO 0.02 0.78 -0.27 1.56 -2.88 0.00 0.00 179.24 178.45 1st7 h GLN 79 N 0.96 0.10 0.31 0.28 4.20 -1.31 -1.29 115.11 118.36 1st7 h GLN 79 Ca 0.24 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.90 1st7 h GLN 79 Cb 0.12 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1st7 h GLN 79 CO -0.03 0.37 -0.15 -0.07 -0.67 0.00 0.00 178.83 178.28 1st7 h LEU 80 N 0.09 -0.36 -1.06 1.46 3.38 -0.93 -3.27 115.31 114.61 1st7 h LEU 80 Ca 0.01 -0.15 0.07 0.00 0.09 0.00 0.00 57.88 57.90 1st7 h LEU 80 Cb 0.53 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.31 1st7 h LEU 80 CO 0.04 0.11 0.63 0.40 0.09 0.00 0.00 178.44 179.70 1st7 h ILE 81 N -0.99 1.07 -0.83 1.22 1.08 -0.41 0.34 117.51 119.00 1st7 h ILE 81 Ca -0.04 -0.38 0.14 0.00 -0.39 0.00 0.00 64.86 64.19 1st7 h ILE 81 Cb 0.48 -0.14 -0.06 0.00 -3.07 0.00 0.00 36.82 34.03 1st7 h ILE 81 CO 0.07 0.20 0.54 0.00 -0.69 0.00 0.00 178.15 178.28 1st7 h ALA 82 N 1.48 1.96 0.13 1.87 0.00 -1.35 0.10 119.26 123.46 1st7 h ALA 82 Ca 0.42 0.01 -0.34 0.00 0.00 0.00 0.00 54.91 55.00 1st7 h ALA 82 Cb 0.19 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1st7 h ALA 82 CO -0.17 -0.18 -1.78 0.87 0.00 0.00 0.00 179.25 177.99 1st7 h LYS 83 N 0.57 0.28 0.00 0.00 1.57 -1.23 -3.43 116.57 114.32 1st7 h LYS 83 Ca 0.41 -0.47 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1st7 h LYS 83 Cb 0.77 0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.26 1st7 h LYS 83 CO -0.16 1.15 -1.60 0.66 -0.57 0.00 0.00 179.45 178.93 1st7 n TYR 84 N -3.46 0.00 -0.14 -1.35 4.01 0.11 -4.40 117.16 111.92 1st7 n TYR 84 Ca -0.24 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.42 1st7 n TYR 84 Cb 1.06 -0.31 -0.02 0.00 -0.31 0.00 0.00 39.34 39.76 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 -1.18 0.00 7.72 4.64 -1.03 -3.31 113.55 120.39 1st7 h SER 85 Ca 0.00 0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1st7 h SER 85 Cb 0.78 0.55 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1st7 h SER 85 CO 0.00 -0.33 0.00 -1.20 -0.87 0.00 0.00 176.83 174.43