#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 -0.07 -1.34 0.02 -1.96 -2.24 113.55 107.96 1st7 h SER 2 Ca 0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 1st7 h SER 2 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1st7 h SER 2 CO 0.00 0.23 -0.21 1.56 -1.14 0.00 0.00 176.83 177.26 1st7 h GLN 3 N 0.00 0.26 -0.59 3.45 1.08 -2.00 -3.13 115.11 114.18 1st7 h GLN 3 Ca -0.00 -0.19 -0.01 0.00 -1.45 0.00 0.00 58.65 56.99 1st7 h GLN 3 Cb 0.77 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 28.20 1st7 h GLN 3 CO 0.03 0.82 0.31 1.25 -0.95 0.00 0.00 178.83 180.29 1st7 h LEU 4 N -0.25 0.74 -0.80 1.46 5.85 -1.96 -2.15 115.31 118.20 1st7 h LEU 4 Ca -0.01 -0.11 0.18 0.00 0.84 0.00 0.00 57.88 58.78 1st7 h LEU 4 Cb 0.84 -0.19 -0.15 0.00 0.37 0.00 0.00 40.66 41.53 1st7 h LEU 4 CO 0.05 0.64 -0.11 0.15 -0.34 0.00 0.00 178.44 178.83 1st7 h PHE 5 N 0.79 -0.26 0.00 1.25 3.04 -1.47 0.12 116.94 120.41 1st7 h PHE 5 Ca 0.20 0.07 -0.18 0.00 3.98 0.00 0.00 57.97 62.05 1st7 h PHE 5 Cb 0.07 0.24 -0.03 0.00 2.56 0.00 0.00 35.95 38.79 1st7 h PHE 5 CO -0.01 -0.32 -1.00 0.93 -2.02 0.00 0.00 178.31 175.89 1st7 h GLU 6 N 0.04 0.00 0.34 1.11 5.08 -1.41 0.23 114.58 119.95 1st7 h GLU 6 Ca 0.42 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.76 1st7 h GLU 6 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1st7 h GLU 6 CO -0.78 0.61 -0.16 1.49 -1.00 0.00 0.00 179.01 179.17 1st7 h GLU 7 N 0.00 -0.43 0.00 2.33 4.57 -0.73 -3.26 114.58 117.06 1st7 h GLU 7 Ca -0.08 0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.09 1st7 h GLU 7 Cb 1.63 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 30.31 1st7 h GLU 7 CO 0.08 -0.23 -0.73 0.87 -1.18 0.00 0.00 179.01 177.82 1st7 h LYS 8 N -0.54 0.00 -0.18 1.92 1.79 -0.82 -3.23 116.57 115.52 1st7 h LYS 8 Ca -0.05 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.41 1st7 h LYS 8 Cb 0.40 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.04 1st7 h LYS 8 CO 0.08 0.11 0.04 0.00 -1.08 0.00 0.00 179.45 178.60 1st7 h ALA 9 N 1.85 0.24 0.00 3.86 0.00 -1.06 -1.24 119.26 122.90 1st7 h ALA 9 Ca -0.03 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1st7 h ALA 9 Cb 1.14 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1st7 h ALA 9 CO 0.02 -0.12 -0.01 0.87 0.00 0.00 0.00 179.25 180.01 1st7 h LYS 10 N 0.10 0.00 0.24 0.00 1.79 -1.67 -1.21 116.57 115.81 1st7 h LYS 10 Ca 0.06 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.52 1st7 h LYS 10 Cb 0.27 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.92 1st7 h LYS 10 CO 0.00 0.01 -0.11 0.00 -1.08 0.00 0.00 179.45 178.27 1st7 h ALA 11 N 1.99 -0.32 0.00 3.86 0.00 -1.45 -3.33 119.26 120.02 1st7 h ALA 11 Ca -0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1st7 h ALA 11 Cb 0.06 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1st7 h ALA 11 CO 0.00 -0.32 -0.15 -0.39 0.00 0.00 0.00 179.25 178.40 1st7 h VAL 12 N -1.04 0.78 0.00 0.00 -1.51 -0.68 0.89 116.25 114.69 1st7 h VAL 12 Ca -0.03 -0.58 0.00 0.00 -1.23 0.00 0.00 66.70 64.86 1st7 h VAL 12 Cb 0.36 1.35 0.00 0.00 -2.13 0.00 0.00 31.29 30.87 1st7 h VAL 12 CO 0.05 0.14 0.00 0.59 -1.23 0.00 0.00 177.57 177.13 1st7 n ASN 13 N -3.88 0.16 0.00 4.19 3.02 -0.51 -3.75 115.26 114.49 1st7 n ASN 13 Ca -0.02 0.52 0.00 0.00 -0.03 0.00 0.00 54.58 55.05 1st7 n ASN 13 Cb 0.24 -0.56 0.00 0.00 -0.61 0.00 0.00 39.78 38.85 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 -1.66 0.73 -2.14 3.52 2.13 -0.04 -4.99 120.64 118.19 1st7 n GLU 14 Ca 0.05 -0.21 -0.35 0.00 0.66 0.00 0.00 57.16 57.31 1st7 n GLU 14 Cb 0.29 -0.66 0.02 0.00 0.27 0.00 0.00 31.44 31.36 1st7 n GLU 14 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1st7 s LEU 15 N -0.33 3.69 0.04 4.31 2.96 0.11 -4.91 118.68 124.55 1st7 s LEU 15 Ca 0.00 2.22 0.22 0.00 -0.22 0.00 0.00 54.13 56.35 1st7 s LEU 15 Cb 0.00 -4.58 0.91 0.00 0.50 0.00 0.00 46.19 43.02 1st7 s LEU 15 CO 0.00 -1.37 1.70 -0.81 -1.32 0.00 0.00 176.35 174.55 1st7 n PRO 16 N -1.49 0.04 -3.61 0.98 -0.04 -1.26 -2.25 135.00 127.37 1st7 n PRO 16 Ca 0.12 0.17 -0.37 0.00 -0.04 0.00 0.00 63.50 63.38 1st7 n PRO 16 Cb 0.51 -1.57 -0.06 0.00 -0.04 0.00 0.00 33.50 32.34 1st7 n PRO 16 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1st7 s THR 17 N -3.04 4.52 0.51 0.52 2.01 -1.24 -5.07 115.64 113.84 1st7 s THR 17 Ca 0.10 -3.85 -0.23 0.00 0.31 0.00 0.00 61.69 58.01 1st7 s THR 17 Cb 0.13 -3.79 -0.07 0.00 0.01 0.00 0.00 72.50 68.79 1st7 s THR 17 CO 0.41 -1.10 1.34 0.29 -0.69 0.00 0.00 174.62 174.87 1st7 n LYS 18 N 2.33 1.82 -1.42 4.92 5.02 -0.95 -4.79 118.16 125.08 1st7 n LYS 18 Ca 0.22 0.66 -0.32 0.00 -2.02 0.00 0.00 58.31 56.85 1st7 n LYS 18 Cb 0.37 -2.53 0.08 0.00 -0.02 0.00 0.00 35.03 32.93 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 -2.66 2.32 0.19 1.97 0.02 -1.26 -4.94 135.00 130.64 1st7 s PRO 19 Ca 0.68 1.38 -0.30 0.00 0.02 0.00 0.00 61.00 62.77 1st7 s PRO 19 Cb -0.44 -1.89 -0.08 0.00 0.02 0.00 0.00 34.50 32.11 1st7 s PRO 19 CO 0.52 -1.62 1.20 0.45 -0.33 0.00 0.00 177.00 177.22 1st7 s SER 20 N -2.81 7.08 0.36 2.53 0.15 -1.26 -4.80 113.70 114.95 1st7 s SER 20 Ca 0.66 2.26 0.10 0.00 0.70 0.00 0.00 55.95 59.67 1st7 s SER 20 Cb -0.21 -2.61 0.86 0.00 -1.71 0.00 0.00 66.02 62.36 1st7 s SER 20 CO 0.49 -0.37 1.86 0.00 1.20 0.00 0.00 173.24 176.42 1st7 h THR 21 N 3.70 0.80 -0.40 6.45 1.03 -1.97 0.27 112.91 122.79 1st7 h THR 21 Ca -0.45 -0.22 -0.10 0.00 -0.01 0.00 0.00 66.41 65.63 1st7 h THR 21 Cb 1.21 0.10 -0.01 0.00 -1.07 0.00 0.00 68.15 68.39 1st7 h THR 21 CO 0.74 0.12 -0.16 -2.24 -0.01 0.00 0.00 175.52 173.97 1st7 h ASP 22 N 0.64 0.83 -0.06 0.00 2.03 -2.01 -2.29 116.42 115.55 1st7 h ASP 22 Ca 0.46 -0.39 -0.01 0.00 -0.73 0.00 0.00 57.03 56.35 1st7 h ASP 22 Cb 0.81 -0.23 -0.00 0.00 -0.83 0.00 0.00 39.33 39.08 1st7 h ASP 22 CO -0.21 1.03 -0.02 -0.33 -1.03 0.00 0.00 179.24 178.69 1st7 h GLU 23 N 0.63 0.12 -1.03 4.15 4.39 -1.68 -3.31 114.58 117.85 1st7 h GLU 23 Ca 0.09 -0.05 0.26 0.00 0.34 0.00 0.00 59.36 60.01 1st7 h GLU 23 Cb 0.70 -0.01 -0.11 0.00 -0.10 0.00 0.00 28.75 29.24 1st7 h GLU 23 CO 0.05 0.47 0.64 1.25 -1.16 0.00 0.00 179.01 180.26 1st7 h LEU 24 N -0.22 0.54 -0.10 1.33 6.46 -0.37 0.60 115.31 123.53 1st7 h LEU 24 Ca 0.02 0.10 0.04 0.00 -0.12 0.00 0.00 57.88 57.92 1st7 h LEU 24 Cb 0.42 0.02 -0.06 0.00 -0.73 0.00 0.00 40.66 40.31 1st7 h LEU 24 CO 0.01 0.09 -0.46 -0.07 -0.62 0.00 0.00 178.44 177.40 1st7 h LEU 25 N 0.47 -1.42 -0.47 2.25 3.38 -1.50 0.35 115.31 118.37 1st7 h LEU 25 Ca 0.62 0.18 -0.11 0.00 0.09 0.00 0.00 57.88 58.65 1st7 h LEU 25 Cb 1.41 0.57 -0.01 0.00 0.09 0.00 0.00 40.66 42.71 1st7 h LEU 25 CO -0.37 -0.45 -0.15 -0.33 0.09 0.00 0.00 178.44 177.23 1st7 h GLU 26 N -0.54 0.93 -0.06 1.13 4.39 -1.25 -2.31 114.58 116.87 1st7 h GLU 26 Ca 0.06 -0.37 -0.10 0.00 0.34 0.00 0.00 59.36 59.28 1st7 h GLU 26 Cb 0.65 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 1st7 h GLU 26 CO -0.39 1.03 -0.43 -0.07 -1.16 0.00 0.00 179.01 177.98 1st7 h LEU 27 N 0.78 0.15 0.43 1.33 -0.00 -0.90 -1.78 115.31 115.31 1st7 h LEU 27 Ca 0.11 -0.06 -0.02 0.00 -0.00 0.00 0.00 57.88 57.91 1st7 h LEU 27 Cb 0.71 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.33 1st7 h LEU 27 CO 0.05 0.57 -0.20 0.22 -0.00 0.00 0.00 178.44 179.08 1st7 h TYR 28 N 0.12 -0.53 -0.51 1.13 5.03 -0.18 -0.98 116.97 121.05 1st7 h TYR 28 Ca 0.01 -0.01 0.10 0.00 2.58 0.00 0.00 58.73 61.40 1st7 h TYR 28 Cb 0.82 0.18 -0.08 0.00 1.55 0.00 0.00 36.73 39.20 1st7 h TYR 28 CO 0.01 -0.26 0.04 0.00 -1.32 0.00 0.00 178.16 176.63 1st7 h ALA 29 N -0.19 0.52 -0.24 1.82 0.00 -1.08 0.14 119.26 120.23 1st7 h ALA 29 Ca -0.06 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1st7 h ALA 29 Cb 0.51 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1st7 h ALA 29 CO 0.10 -0.36 0.04 -0.07 0.00 0.00 0.00 179.25 178.96 1st7 h LEU 30 N 0.16 0.39 -0.16 0.00 4.07 -1.38 -0.30 115.31 118.08 1st7 h LEU 30 Ca 0.26 -0.26 0.04 0.00 0.08 0.00 0.00 57.88 58.00 1st7 h LEU 30 Cb 0.38 -0.10 -0.04 0.00 1.08 0.00 0.00 40.66 41.98 1st7 h LEU 30 CO -0.39 0.55 -0.08 0.22 -1.08 0.00 0.00 178.44 177.66 1st7 h TYR 31 N 0.21 -0.18 -0.51 1.13 3.20 -0.50 -1.97 116.97 118.35 1st7 h TYR 31 Ca 0.07 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.90 1st7 h TYR 31 Cb 0.32 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.67 1st7 h TYR 31 CO 0.02 -0.12 0.08 0.87 -1.64 0.00 0.00 178.16 177.37 1st7 h LYS 32 N -0.06 0.80 0.34 1.82 1.79 -0.77 -0.67 116.57 119.81 1st7 h LYS 32 Ca 0.09 -0.18 -0.00 0.00 -2.18 0.00 0.00 60.65 58.38 1st7 h LYS 32 Cb 0.19 -0.11 -0.03 0.00 -1.58 0.00 0.00 32.23 30.70 1st7 h LYS 32 CO -0.20 0.75 -0.52 1.96 -1.08 0.00 0.00 179.45 180.36 1st7 h GLN 33 N 0.76 -0.87 -0.02 3.15 4.20 -0.32 -2.38 115.11 119.63 1st7 h GLN 33 Ca 0.16 0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.93 1st7 h GLN 33 Cb 0.35 0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.32 1st7 h GLN 33 CO 0.01 -0.58 -0.02 0.00 -0.67 0.00 0.00 178.83 177.57 1st7 n ALA 34 N -2.87 2.58 0.15 3.87 0.00 -0.87 -0.28 120.51 123.09 1st7 n ALA 34 Ca -0.11 -0.53 -0.06 0.00 0.00 0.00 0.00 53.44 52.74 1st7 n ALA 34 Cb 0.44 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 18.83 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 3.12 0.00 0.07 0.00 2.02 -1.01 -3.42 112.91 113.70 1st7 h THR 35 Ca 0.00 -0.27 -0.26 0.00 0.77 0.00 0.00 66.41 66.65 1st7 h THR 35 Cb 0.68 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 1st7 h THR 35 CO 0.00 0.00 -1.40 -0.37 0.37 0.00 0.00 175.52 174.12 1st7 h VAL 36 N -0.68 0.95 0.00 3.16 -1.51 -1.54 -3.49 116.25 113.15 1st7 h VAL 36 Ca -0.04 -2.31 0.00 0.00 -1.23 0.00 0.00 66.70 63.12 1st7 h VAL 36 Cb 0.31 2.54 0.00 0.00 -2.13 0.00 0.00 31.29 32.01 1st7 h VAL 36 CO 0.07 0.60 0.00 0.61 -1.23 0.00 0.00 177.57 177.62 1st7 n GLY 37 N 1.68 2.12 3.25 5.19 0.00 0.61 -5.04 105.19 113.00 1st7 n GLY 37 Ca -0.28 -0.15 -0.14 0.00 0.00 0.00 0.00 46.02 45.45 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 0.16 1.23 -0.64 1.61 1.11 -1.26 -3.99 116.67 114.89 1st7 s ASP 38 Ca 0.00 -1.19 -0.32 0.00 0.18 0.00 0.00 52.55 51.22 1st7 s ASP 38 Cb 0.00 0.12 -0.15 0.00 1.07 0.00 0.00 42.92 43.96 1st7 s ASP 38 CO 0.00 -0.58 2.44 -0.46 1.18 0.00 0.00 175.17 177.75 1st7 n ASN 39 N -0.27 1.37 0.00 0.27 6.94 -0.19 -4.87 115.26 118.51 1st7 n ASN 39 Ca -0.06 0.10 0.00 0.00 -0.02 0.00 0.00 54.58 54.60 1st7 n ASN 39 Cb 0.63 -1.19 0.00 0.00 -2.36 0.00 0.00 39.78 36.86 1st7 n ASN 39 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 1st7 n ASP 40 N 11.53 0.00 -4.54 0.53 2.03 -1.26 -4.81 116.55 120.02 1st7 n ASP 40 Ca 0.51 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 55.39 1st7 n ASP 40 Cb 0.22 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.61 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 3.95 -1.47 -0.67 -0.14 -1.26 -4.87 119.74 115.28 1st7 s LYS 41 Ca 0.00 -2.02 -0.10 0.00 -1.36 0.00 0.00 55.97 52.49 1st7 s LYS 41 Cb 0.00 -5.38 0.03 0.00 -1.68 0.00 0.00 37.83 30.80 1st7 s LYS 41 CO 0.00 -2.12 2.46 -1.91 -0.76 0.00 0.00 175.35 173.03 1st7 n GLU 42 N 7.73 3.58 -2.76 1.68 2.13 -1.26 -4.06 120.64 127.67 1st7 n GLU 42 Ca 0.43 -2.75 -0.09 0.00 0.66 0.00 0.00 57.16 55.41 1st7 n GLU 42 Cb 0.46 -2.94 0.05 0.00 0.27 0.00 0.00 31.44 29.28 1st7 n GLU 42 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1st7 n LYS 43 N 4.09 0.82 -2.20 5.31 4.81 -1.26 -5.13 118.16 124.60 1st7 n LYS 43 Ca 0.61 -1.82 -0.33 0.00 -0.87 0.00 0.00 58.31 55.90 1st7 n LYS 43 Cb 0.30 -1.40 -0.00 0.00 0.02 0.00 0.00 35.03 33.96 1st7 n LYS 43 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1st7 s PRO 44 N 0.56 3.44 0.02 1.64 0.04 -1.26 -5.04 135.00 134.40 1st7 s PRO 44 Ca 0.31 1.30 -0.00 0.00 0.04 0.00 0.00 61.00 62.64 1st7 s PRO 44 Cb 0.24 -2.04 0.01 0.00 0.04 0.00 0.00 34.50 32.74 1st7 s PRO 44 CO -0.21 -0.73 0.03 0.41 0.04 0.00 0.00 177.00 176.54 1st7 n GLY 45 N -0.64 -1.47 0.21 0.56 0.00 -1.26 -4.94 105.19 97.65 1st7 n GLY 45 Ca 0.09 -1.62 -0.23 0.00 0.00 0.00 0.00 46.02 44.26 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 -2.17 1.33 1.18 -0.61 -5.35 -1.26 -3.96 119.36 108.53 1st7 n ILE 46 Ca 0.00 -0.39 0.14 0.00 -0.27 0.00 0.00 62.75 62.23 1st7 n ILE 46 Cb 0.01 -1.68 0.52 0.00 -1.74 0.00 0.00 39.64 36.75 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 -3.83 0.00 -1.56 4.28 1.16 -1.26 -4.62 117.46 111.64 1st7 n PHE 47 Ca -0.46 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 54.70 1st7 n PHE 47 Cb 0.87 -0.29 -0.02 0.00 -1.61 0.00 0.00 39.48 38.42 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 -1.25 3.42 -0.02 5.98 4.13 -1.25 -4.74 115.26 121.53 1st7 n ASN 48 Ca 0.10 -2.79 0.08 0.00 1.68 0.00 0.00 54.58 53.66 1st7 n ASN 48 Cb 0.31 -1.48 0.48 0.00 -1.54 0.00 0.00 39.78 37.55 1st7 n ASN 48 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1st7 h MET 49 N 6.72 0.43 0.53 3.52 -0.00 -1.86 -1.27 114.93 123.00 1st7 h MET 49 Ca 0.51 -0.03 -0.03 0.00 -0.00 0.00 0.00 59.70 60.16 1st7 h MET 49 Cb 0.66 -0.10 0.01 0.00 -0.00 0.00 0.00 31.60 32.17 1st7 h MET 49 CO 1.90 0.28 -0.25 0.87 -0.00 0.00 0.00 176.91 179.71 1st7 h LYS 50 N 0.44 -0.68 -0.50 -0.10 1.57 -1.98 -3.23 116.57 112.08 1st7 h LYS 50 Ca 0.20 0.05 0.09 0.00 -1.87 0.00 0.00 60.65 59.12 1st7 h LYS 50 Cb 0.25 0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.68 1st7 h LYS 50 CO -0.05 -0.46 0.34 -0.44 -0.57 0.00 0.00 179.45 178.28 1st7 h ASP 51 N -0.96 0.26 -0.41 0.86 5.19 -1.91 -1.97 116.42 117.47 1st7 h ASP 51 Ca -0.07 0.00 0.08 0.00 -0.62 0.00 0.00 57.03 56.43 1st7 h ASP 51 Cb 0.54 -0.05 -0.08 0.00 0.18 0.00 0.00 39.33 39.92 1st7 h ASP 51 CO 0.12 0.16 -0.14 0.03 -3.12 0.00 0.00 179.24 176.29 1st7 h ARG 52 N 0.29 -0.05 -0.08 3.56 2.47 -1.30 0.51 114.38 119.78 1st7 h ARG 52 Ca 0.23 0.00 -0.20 0.00 -1.26 0.00 0.00 59.98 58.75 1st7 h ARG 52 Cb 0.53 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.87 1st7 h ARG 52 CO -0.05 -0.03 -0.79 0.10 0.56 0.00 0.00 179.97 179.75 1st7 h TYR 53 N -0.05 0.69 -0.32 3.04 -0.00 -1.39 -1.82 116.97 117.11 1st7 h TYR 53 Ca 0.20 -0.32 0.07 0.00 0.00 0.00 0.00 58.73 58.68 1st7 h TYR 53 Cb 0.36 -0.10 -0.06 0.00 0.00 0.00 0.00 36.73 36.93 1st7 h TYR 53 CO -0.40 1.11 -0.10 0.87 -0.00 0.00 0.00 178.16 179.65 1st7 h LYS 54 N 0.33 -0.02 -0.06 0.10 1.79 -1.31 -1.66 116.57 115.74 1st7 h LYS 54 Ca -0.05 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.25 1st7 h LYS 54 Cb 1.39 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.04 1st7 h LYS 54 CO 0.14 -0.01 -0.71 2.35 -1.08 0.00 0.00 179.45 180.14 1st7 h TRP 55 N -0.02 0.41 -0.32 -1.35 7.01 -0.89 -2.82 115.95 117.97 1st7 h TRP 55 Ca 0.16 -0.18 -0.15 0.00 2.11 0.00 0.00 58.89 60.83 1st7 h TRP 55 Cb 0.26 -0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 27.25 1st7 h TRP 55 CO -0.31 0.91 -0.40 1.49 -2.79 0.00 0.00 178.44 177.34 1st7 h GLU 56 N 0.21 0.77 0.00 2.65 4.81 -1.17 0.62 114.58 122.47 1st7 h GLU 56 Ca -0.02 -0.40 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 1st7 h GLU 56 Cb 1.27 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.66 1st7 h GLU 56 CO 0.12 1.03 0.00 0.00 -0.73 0.00 0.00 179.01 179.42 1st7 h ALA 57 N 0.92 1.00 0.07 2.92 0.00 -1.29 -2.70 119.26 120.18 1st7 h ALA 57 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.67 1st7 h ALA 57 Cb 0.95 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1st7 h ALA 57 CO 0.09 0.00 -1.54 2.35 0.00 0.00 0.00 179.25 180.15 1st7 h TRP 58 N 0.00 0.28 0.00 0.00 7.01 -1.20 -3.35 115.95 118.69 1st7 h TRP 58 Ca 0.00 -0.21 0.00 0.00 2.11 0.00 0.00 58.89 60.79 1st7 h TRP 58 Cb 0.49 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 27.54 1st7 h TRP 58 CO 0.00 1.61 0.11 1.49 -2.79 0.00 0.00 178.44 178.85 1st7 h GLU 59 N -0.45 0.00 0.00 2.65 4.81 -0.69 0.46 114.58 121.36 1st7 h GLU 59 Ca -0.36 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.83 1st7 h GLU 59 Cb 1.67 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.05 1st7 h GLU 59 CO -0.03 0.00 -0.21 -0.97 -0.73 0.00 0.00 179.01 177.06 1st7 h ASN 60 N 0.00 0.00 -0.10 1.04 -1.24 -1.62 -3.20 115.58 110.46 1st7 h ASN 60 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1st7 h ASN 60 Cb 0.21 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.26 1st7 h ASN 60 CO 0.00 0.21 0.00 0.18 -1.29 0.00 0.00 177.43 176.53 1st7 n LEU 61 N -3.71 2.31 0.00 0.34 4.32 0.13 -4.94 117.00 115.45 1st7 n LEU 61 Ca -0.01 -2.07 0.00 0.00 -0.02 0.00 0.00 56.01 53.90 1st7 n LEU 61 Cb 0.33 -0.10 0.00 0.00 -1.62 0.00 0.00 43.42 42.03 1st7 n LEU 61 CO 0.33 0.58 0.05 2.29 -1.22 0.00 0.00 177.39 179.42 1st7 n LYS 62 N -0.27 0.00 0.00 3.23 -0.00 -1.09 -1.39 118.16 118.65 1st7 n LYS 62 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.35 1st7 n LYS 62 Cb 0.33 -1.09 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 -0.40 0.58 0.42 2.58 0.00 -1.26 -1.03 105.19 106.09 1st7 n GLY 63 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 0.37 -0.55 1.61 4.81 -0.48 -4.76 118.16 119.15 1st7 n LYS 64 Ca 0.00 0.15 -0.09 0.00 -0.87 0.00 0.00 58.31 57.50 1st7 n LYS 64 Cb 0.21 -1.13 0.05 0.00 0.02 0.00 0.00 35.03 34.18 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 -4.01 4.44 -0.10 3.14 7.64 -1.16 -3.25 113.62 120.32 1st7 n SER 65 Ca -0.20 -2.66 0.15 0.00 1.01 0.00 0.00 58.87 57.17 1st7 n SER 65 Cb 0.51 -0.81 0.55 0.00 -1.01 0.00 0.00 64.21 63.45 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 0.74 0.31 -0.02 1.43 4.15 -1.80 0.20 115.11 120.12 1st7 h GLN 66 Ca 0.20 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.59 1st7 h GLN 66 Cb 1.33 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.95 1st7 h GLN 66 CO 0.43 0.20 -0.07 0.93 -1.93 0.00 0.00 178.83 178.40 1st7 h GLU 67 N 0.32 0.08 -0.02 1.69 5.08 -1.92 -3.17 114.58 116.63 1st7 h GLU 67 Ca 0.32 -0.06 -0.19 0.00 -1.00 0.00 0.00 59.36 58.42 1st7 h GLU 67 Cb 0.80 0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.07 1st7 h GLU 67 CO -0.08 0.68 -0.75 -0.44 -1.00 0.00 0.00 179.01 177.42 1st7 h ASP 68 N -0.50 0.69 -0.57 1.42 3.32 -1.79 -3.35 116.42 115.64 1st7 h ASP 68 Ca -0.00 -0.73 0.06 0.00 0.02 0.00 0.00 57.03 56.37 1st7 h ASP 68 Cb 0.68 -0.21 -0.08 0.00 0.22 0.00 0.00 39.33 39.94 1st7 h ASP 68 CO 0.01 1.33 -0.44 0.00 -1.72 0.00 0.00 179.24 178.42 1st7 h ALA 69 N 0.38 -0.52 -0.78 3.45 0.00 -0.71 -0.30 119.26 120.77 1st7 h ALA 69 Ca -0.09 0.05 0.23 0.00 0.00 0.00 0.00 54.91 55.10 1st7 h ALA 69 Cb 1.43 1.18 -0.03 0.00 0.00 0.00 0.00 17.79 20.37 1st7 h ALA 69 CO 0.15 -0.80 0.65 1.05 0.00 0.00 0.00 179.25 180.30 1st7 h GLU 70 N -0.13 0.00 0.13 0.00 4.11 -1.70 0.20 114.58 117.19 1st7 h GLU 70 Ca 0.09 0.00 -0.35 0.00 0.07 0.00 0.00 59.36 59.17 1st7 h GLU 70 Cb 0.37 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1st7 h GLU 70 CO -0.61 0.00 -1.89 0.87 0.07 0.00 0.00 179.01 177.45 1st7 h LYS 71 N 0.00 0.27 0.00 1.06 1.79 -1.41 -0.77 116.57 117.51 1st7 h LYS 71 Ca 0.37 -0.46 -0.09 0.00 -2.18 0.00 0.00 60.65 58.29 1st7 h LYS 71 Cb 1.66 0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 32.46 1st7 h LYS 71 CO -0.00 1.17 -1.02 0.93 -1.08 0.00 0.00 179.45 179.44 1st7 h GLU 72 N 0.07 0.00 -0.10 3.15 5.08 -0.77 -3.39 114.58 118.63 1st7 h GLU 72 Ca -0.38 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.96 1st7 h GLU 72 Cb 2.05 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.29 1st7 h GLU 72 CO 0.11 0.22 0.01 -0.92 -1.00 0.00 0.00 179.01 177.43 1st7 h TYR 73 N 0.00 0.18 -0.94 4.33 3.20 -0.80 -2.12 116.97 120.82 1st7 h TYR 73 Ca -0.07 -0.03 0.14 0.00 3.14 0.00 0.00 58.73 61.91 1st7 h TYR 73 Cb 1.33 -0.05 -0.15 0.00 1.54 0.00 0.00 36.73 39.40 1st7 h TYR 73 CO 0.00 0.39 -0.37 1.51 -1.64 0.00 0.00 178.16 178.05 1st7 n ILE 74 N -4.84 -0.50 0.35 1.81 3.06 -1.26 -0.33 119.36 117.65 1st7 n ILE 74 Ca -0.06 2.20 0.13 0.00 -2.50 0.00 0.00 62.75 62.53 1st7 n ILE 74 Cb 0.18 -2.91 0.37 0.00 0.54 0.00 0.00 39.64 37.82 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 1.28 1.00 0.06 1.51 0.00 -1.69 -1.36 119.26 120.07 1st7 h ALA 75 Ca 0.32 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 1st7 h ALA 75 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1st7 h ALA 75 CO -0.93 0.00 -0.03 -0.07 0.00 0.00 0.00 179.25 178.22 1st7 h LEU 76 N 0.00 -0.07 -1.21 0.00 3.38 -0.68 -3.37 115.31 113.36 1st7 h LEU 76 Ca 0.00 -0.53 -0.07 0.00 0.09 0.00 0.00 57.88 57.37 1st7 h LEU 76 Cb 0.77 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1st7 h LEU 76 CO 0.00 0.64 -0.32 0.58 0.09 0.00 0.00 178.44 179.42 1st7 h VAL 77 N -0.92 0.91 -0.65 1.22 2.07 -0.60 -0.59 116.25 117.69 1st7 h VAL 77 Ca -0.01 -1.26 -0.05 0.00 0.82 0.00 0.00 66.70 66.20 1st7 h VAL 77 Cb 0.60 1.75 -0.03 0.00 -1.52 0.00 0.00 31.29 32.09 1st7 h VAL 77 CO 0.01 0.32 0.22 -0.78 0.02 0.00 0.00 177.57 177.36 1st7 h ASP 78 N 0.00 0.90 1.58 0.57 3.58 -1.44 0.12 116.42 121.74 1st7 h ASP 78 Ca -0.00 -0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.30 1st7 h ASP 78 Cb 0.73 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.54 1st7 h ASP 78 CO 0.04 0.83 -0.02 1.56 -2.88 0.00 0.00 179.24 178.77 1st7 h GLN 79 N 0.95 0.00 0.37 0.28 1.08 -1.32 0.12 115.11 116.59 1st7 h GLN 79 Ca 0.22 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.40 1st7 h GLN 79 Cb 0.24 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 1st7 h GLN 79 CO -0.01 0.00 -0.18 -0.07 -0.95 0.00 0.00 178.83 177.62 1st7 h LEU 80 N 0.00 -0.42 -1.59 1.46 4.07 -0.79 -3.35 115.31 114.70 1st7 h LEU 80 Ca 0.00 0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.96 1st7 h LEU 80 Cb 0.80 0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.64 1st7 h LEU 80 CO 0.00 -0.09 0.12 0.40 -1.08 0.00 0.00 178.44 177.79 1st7 h ILE 81 N -0.91 1.11 -0.93 1.22 2.04 -0.70 0.34 117.51 119.68 1st7 h ILE 81 Ca -0.05 -0.34 0.17 0.00 1.00 0.00 0.00 64.86 65.64 1st7 h ILE 81 Cb 0.38 0.78 -0.08 0.00 -0.74 0.00 0.00 36.82 37.16 1st7 h ILE 81 CO 0.08 0.13 0.60 0.00 0.00 0.00 0.00 178.15 178.96 1st7 h ALA 82 N 1.74 1.89 0.08 1.87 0.00 -1.13 0.13 119.26 123.83 1st7 h ALA 82 Ca 0.10 0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.79 1st7 h ALA 82 Cb 0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1st7 h ALA 82 CO -0.01 -0.17 -1.32 0.87 0.00 0.00 0.00 179.25 178.61 1st7 h LYS 83 N 0.65 0.16 0.00 0.00 6.56 -1.27 -3.43 116.57 119.24 1st7 h LYS 83 Ca 0.49 -0.28 0.00 0.00 -1.06 0.00 0.00 60.65 59.80 1st7 h LYS 83 Cb 0.88 0.10 0.00 0.00 -0.57 0.00 0.00 32.23 32.65 1st7 h LYS 83 CO -0.24 1.13 -0.66 0.66 -2.06 0.00 0.00 179.45 178.28 1st7 n TYR 84 N -4.06 0.26 -0.26 -1.35 4.01 0.10 -3.91 117.16 111.97 1st7 n TYR 84 Ca -0.26 0.08 -0.05 0.00 -0.16 0.00 0.00 57.90 57.50 1st7 n TYR 84 Cb 0.83 -0.44 0.00 0.00 -0.31 0.00 0.00 39.34 39.42 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 -1.34 0.00 7.72 4.64 -1.21 -3.29 113.55 120.07 1st7 h SER 85 Ca 0.00 0.26 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1st7 h SER 85 Cb 0.64 0.66 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1st7 h SER 85 CO 0.00 -0.31 0.00 -1.54 -0.87 0.00 0.00 176.83 174.11