#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 1.23 0.17 -1.34 2.88 -1.26 -4.13 113.62 111.16 1st7 n SER 2 Ca 0.00 -1.79 -0.14 0.00 -1.33 0.00 0.00 58.87 55.62 1st7 n SER 2 Cb 0.00 -0.11 -0.08 0.00 -0.75 0.00 0.00 64.21 63.27 1st7 n SER 2 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1st7 h GLN 3 N 1.50 -0.41 -0.45 -1.46 7.50 -2.00 -2.83 115.11 116.95 1st7 h GLN 3 Ca 0.00 0.03 -0.04 0.00 0.50 0.00 0.00 58.65 59.14 1st7 h GLN 3 Cb 0.33 0.09 -0.02 0.00 0.05 0.00 0.00 27.48 27.94 1st7 h GLN 3 CO 0.00 -0.11 0.11 1.37 -1.50 0.00 0.00 178.83 178.70 1st7 h LEU 4 N -0.73 0.63 -0.02 1.46 -0.00 -1.95 -0.20 115.31 114.50 1st7 h LEU 4 Ca -0.04 -0.10 0.03 0.00 -0.00 0.00 0.00 57.88 57.77 1st7 h LEU 4 Cb 0.49 -0.16 -0.05 0.00 -0.00 0.00 0.00 40.66 40.94 1st7 h LEU 4 CO 0.07 0.63 -0.34 0.15 -0.00 0.00 0.00 178.44 178.95 1st7 h PHE 5 N 0.66 -0.93 -0.03 0.17 3.57 -1.73 0.46 116.94 119.11 1st7 h PHE 5 Ca 0.15 0.03 -0.19 0.00 3.53 0.00 0.00 57.97 61.49 1st7 h PHE 5 Cb 0.25 0.41 -0.01 0.00 2.79 0.00 0.00 35.95 39.40 1st7 h PHE 5 CO 0.01 -0.42 -0.81 0.93 -2.23 0.00 0.00 178.31 175.79 1st7 h GLU 6 N -0.48 0.30 -0.90 1.11 5.08 -1.23 0.16 114.58 118.62 1st7 h GLU 6 Ca 0.06 -0.28 0.04 0.00 -1.00 0.00 0.00 59.36 58.18 1st7 h GLU 6 Cb 0.57 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.84 1st7 h GLU 6 CO -0.29 0.96 0.58 1.49 -1.00 0.00 0.00 179.01 180.75 1st7 h GLU 7 N 0.19 1.10 0.04 2.33 4.57 -0.71 -1.67 114.58 120.42 1st7 h GLU 7 Ca -0.04 -0.07 -0.32 0.00 -1.18 0.00 0.00 59.36 57.75 1st7 h GLU 7 Cb 1.41 -0.25 -0.04 0.00 -0.16 0.00 0.00 28.75 29.71 1st7 h GLU 7 CO 0.13 0.73 -1.84 1.63 -1.18 0.00 0.00 179.01 178.48 1st7 n LYS 8 N -4.52 0.67 -0.26 1.92 4.76 0.12 -4.28 118.16 116.58 1st7 n LYS 8 Ca 0.12 0.27 -0.06 0.00 -2.87 0.00 0.00 58.31 55.77 1st7 n LYS 8 Cb 0.09 -1.75 0.05 0.00 -1.84 0.00 0.00 35.03 31.58 1st7 n LYS 8 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1st7 h ALA 9 N 0.72 0.91 0.00 7.82 0.00 -0.41 -1.07 119.26 127.23 1st7 h ALA 9 Ca -0.34 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1st7 h ALA 9 Cb 2.03 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1st7 h ALA 9 CO 0.08 0.46 0.00 0.87 0.00 0.00 0.00 179.25 180.65 1st7 h LYS 10 N 0.99 0.00 0.06 0.00 1.79 -1.53 0.58 116.57 118.46 1st7 h LYS 10 Ca 0.25 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.71 1st7 h LYS 10 Cb 0.08 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.73 1st7 h LYS 10 CO -0.03 0.00 -0.03 0.00 -1.08 0.00 0.00 179.45 178.30 1st7 h ALA 11 N 2.14 -0.09 0.00 3.86 0.00 -1.41 -3.39 119.26 120.37 1st7 h ALA 11 Ca 0.00 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 1st7 h ALA 11 Cb 0.28 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1st7 h ALA 11 CO 0.00 -0.12 -0.20 -0.39 0.00 0.00 0.00 179.25 178.54 1st7 h VAL 12 N -0.94 0.80 0.00 0.00 -1.51 -0.41 -0.37 116.25 113.83 1st7 h VAL 12 Ca -0.01 -0.77 0.00 0.00 -1.23 0.00 0.00 66.70 64.69 1st7 h VAL 12 Cb 0.56 1.46 0.00 0.00 -2.13 0.00 0.00 31.29 31.18 1st7 h VAL 12 CO 0.01 0.19 0.00 0.59 -1.23 0.00 0.00 177.57 177.14 1st7 n ASN 13 N -3.81 0.10 -2.69 4.19 3.02 0.10 -3.24 115.26 112.92 1st7 n ASN 13 Ca -0.02 0.53 -0.06 0.00 -0.03 0.00 0.00 54.58 55.00 1st7 n ASN 13 Cb 0.30 -0.55 0.10 0.00 -0.61 0.00 0.00 39.78 39.02 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 -1.62 1.25 -1.73 3.52 2.13 -0.67 -5.09 120.64 118.43 1st7 n GLU 14 Ca 0.03 -2.03 -0.33 0.00 0.66 0.00 0.00 57.16 55.49 1st7 n GLU 14 Cb 0.15 -0.23 0.05 0.00 0.27 0.00 0.00 31.44 31.69 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 -3.38 3.39 0.41 4.31 2.96 -0.24 -4.94 118.68 121.19 1st7 s LEU 15 Ca 0.21 2.05 0.25 0.00 -0.22 0.00 0.00 54.13 56.41 1st7 s LEU 15 Cb 0.41 -4.56 0.55 0.00 0.50 0.00 0.00 46.19 43.09 1st7 s LEU 15 CO -0.07 -1.70 1.68 1.55 -1.32 0.00 0.00 176.35 176.49 1st7 h PRO 16 N 0.02 0.00 -2.97 0.98 0.13 -1.86 -3.23 132.00 125.06 1st7 h PRO 16 Ca -0.47 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.01 1st7 h PRO 16 Cb 1.25 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.99 1st7 h PRO 16 CO 0.54 0.00 -0.33 2.41 -0.23 0.00 0.00 178.00 180.38 1st7 n THR 17 N -2.95 2.47 -1.57 1.56 -1.04 -1.25 -5.08 114.28 106.42 1st7 n THR 17 Ca 0.04 -5.09 -0.38 0.00 -2.04 0.00 0.00 64.05 56.57 1st7 n THR 17 Cb 0.48 -2.23 0.04 0.00 -1.82 0.00 0.00 70.33 66.80 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 1.81 0.85 -1.72 -2.82 5.02 -1.22 -4.77 118.16 115.31 1st7 n LYS 18 Ca 0.23 0.32 -0.38 0.00 -2.02 0.00 0.00 58.31 56.46 1st7 n LYS 18 Cb 0.37 -2.01 0.05 0.00 -0.02 0.00 0.00 35.03 33.41 1st7 n LYS 18 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1st7 n PRO 19 N -0.57 1.46 -1.45 1.97 -0.02 -1.26 -4.94 135.00 130.19 1st7 n PRO 19 Ca 0.12 0.54 -0.29 0.00 -2.02 0.00 0.00 63.50 61.86 1st7 n PRO 19 Cb 0.46 -2.48 0.13 0.00 -0.02 0.00 0.00 33.50 31.59 1st7 n PRO 19 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1st7 s SER 20 N -1.03 3.68 0.20 2.55 0.15 -1.26 -4.57 113.70 113.42 1st7 s SER 20 Ca 0.74 1.17 -0.11 0.00 0.70 0.00 0.00 55.95 58.45 1st7 s SER 20 Cb -0.42 -1.82 0.15 0.00 -1.71 0.00 0.00 66.02 62.23 1st7 s SER 20 CO 0.48 -2.47 1.87 0.00 1.20 0.00 0.00 173.24 174.32 1st7 h THR 21 N -1.44 1.17 0.00 6.45 1.03 -2.00 0.76 112.91 118.88 1st7 h THR 21 Ca -0.50 -0.33 0.00 0.00 -0.01 0.00 0.00 66.41 65.57 1st7 h THR 21 Cb 1.31 0.13 0.00 0.00 -1.07 0.00 0.00 68.15 68.51 1st7 h THR 21 CO 0.60 0.17 -0.47 0.44 -0.01 0.00 0.00 175.52 176.25 1st7 h ASP 22 N 0.96 0.00 0.01 0.00 3.32 -2.03 -3.37 116.42 115.30 1st7 h ASP 22 Ca 0.27 -0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.23 1st7 h ASP 22 Cb -0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.46 1st7 h ASP 22 CO -0.07 0.02 -0.19 -0.33 -1.72 0.00 0.00 179.24 176.95 1st7 h GLU 23 N 0.00 0.12 -1.02 3.56 5.08 -1.48 -3.32 114.58 117.52 1st7 h GLU 23 Ca 0.00 -0.14 0.30 0.00 -1.00 0.00 0.00 59.36 58.52 1st7 h GLU 23 Cb 0.92 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.17 1st7 h GLU 23 CO 0.00 0.92 0.95 1.25 -1.00 0.00 0.00 179.01 181.13 1st7 h LEU 24 N -0.63 0.00 0.01 1.33 5.85 -1.08 0.32 115.31 121.10 1st7 h LEU 24 Ca -0.03 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 1st7 h LEU 24 Cb 1.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.03 1st7 h LEU 24 CO 0.04 0.00 -0.06 -0.07 -0.34 0.00 0.00 178.44 178.00 1st7 h LEU 25 N 0.00 0.04 -0.69 2.25 3.38 -1.77 -1.63 115.31 116.89 1st7 h LEU 25 Ca 0.48 -0.97 -0.09 0.00 0.09 0.00 0.00 57.88 57.40 1st7 h LEU 25 Cb 2.38 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 43.09 1st7 h LEU 25 CO -0.01 1.00 0.07 -0.08 0.09 0.00 0.00 178.44 179.51 1st7 h GLU 26 N -0.92 1.08 0.00 1.13 4.81 -1.30 -2.38 114.58 117.00 1st7 h GLU 26 Ca -0.01 -0.31 -0.08 0.00 -0.13 0.00 0.00 59.36 58.84 1st7 h GLU 26 Cb 1.02 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.27 1st7 h GLU 26 CO 0.01 1.01 -0.36 -0.07 -0.73 0.00 0.00 179.01 178.88 1st7 h LEU 27 N 1.00 0.00 0.64 1.64 -0.00 -0.56 -2.38 115.31 115.65 1st7 h LEU 27 Ca 0.19 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 58.04 1st7 h LEU 27 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.15 1st7 h LEU 27 CO 0.02 0.36 -0.32 0.22 -0.00 0.00 0.00 178.44 178.72 1st7 h TYR 28 N 0.00 -0.83 -0.73 1.13 5.03 -1.09 -2.12 116.97 118.36 1st7 h TYR 28 Ca -0.00 -0.02 0.13 0.00 2.58 0.00 0.00 58.73 61.42 1st7 h TYR 28 Cb 0.66 0.28 -0.09 0.00 1.55 0.00 0.00 36.73 39.14 1st7 h TYR 28 CO 0.00 -0.51 0.30 0.00 -1.32 0.00 0.00 178.16 176.63 1st7 h ALA 29 N -0.51 1.01 -0.09 1.82 0.00 -0.93 0.28 119.26 120.84 1st7 h ALA 29 Ca -0.09 0.10 -0.19 0.00 0.00 0.00 0.00 54.91 54.74 1st7 h ALA 29 Cb 0.68 0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.54 1st7 h ALA 29 CO 0.13 -0.18 -0.68 -0.07 0.00 0.00 0.00 179.25 178.45 1st7 h LEU 30 N 0.47 0.76 0.04 0.00 4.07 -1.57 -0.46 115.31 118.62 1st7 h LEU 30 Ca 0.39 -0.67 -0.00 0.00 0.08 0.00 0.00 57.88 57.68 1st7 h LEU 30 Cb 0.55 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 42.06 1st7 h LEU 30 CO -0.37 1.31 -0.02 0.22 -1.08 0.00 0.00 178.44 178.50 1st7 h TYR 31 N 0.27 -0.05 -0.92 1.13 3.20 -0.72 -2.04 116.97 117.85 1st7 h TYR 31 Ca -0.06 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.88 1st7 h TYR 31 Cb 1.33 0.02 -0.06 0.00 1.54 0.00 0.00 36.73 39.56 1st7 h TYR 31 CO 0.11 0.07 0.60 0.87 -1.64 0.00 0.00 178.16 178.17 1st7 h LYS 32 N -0.16 1.00 0.19 1.82 1.79 -0.58 0.00 116.57 120.63 1st7 h LYS 32 Ca -0.01 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 1st7 h LYS 32 Cb 0.15 -0.23 -0.03 0.00 -1.58 0.00 0.00 32.23 30.53 1st7 h LYS 32 CO 0.01 0.66 -0.44 1.96 -1.08 0.00 0.00 179.45 180.56 1st7 h GLN 33 N 1.03 -0.67 0.00 3.15 4.20 -0.40 -2.15 115.11 120.28 1st7 h GLN 33 Ca 0.40 0.05 0.00 0.00 0.06 0.00 0.00 58.65 59.16 1st7 h GLN 33 Cb 0.23 0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.16 1st7 h GLN 33 CO -0.16 -0.44 -0.50 0.00 -0.67 0.00 0.00 178.83 177.06 1st7 n ALA 34 N -2.82 3.02 0.36 3.87 0.00 -0.87 -0.46 120.51 123.61 1st7 n ALA 34 Ca -0.08 -0.25 -0.15 0.00 0.00 0.00 0.00 53.44 52.95 1st7 n ALA 34 Cb 0.36 -1.20 -0.08 0.00 0.00 0.00 0.00 19.45 18.53 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 0.00 0.10 0.02 0.00 2.02 -0.90 -3.36 112.91 110.79 1st7 h THR 35 Ca 0.00 -0.28 -0.29 0.00 0.77 0.00 0.00 66.41 66.61 1st7 h THR 35 Cb 0.65 0.14 -0.04 0.00 -1.74 0.00 0.00 68.15 67.16 1st7 h THR 35 CO 0.00 0.01 -1.61 -0.37 0.37 0.00 0.00 175.52 173.92 1st7 h VAL 36 N -1.19 0.99 0.00 3.16 -1.51 -1.51 -3.49 116.25 112.69 1st7 h VAL 36 Ca -0.10 -2.79 0.00 0.00 -1.23 0.00 0.00 66.70 62.58 1st7 h VAL 36 Cb 0.74 2.52 0.00 0.00 -2.13 0.00 0.00 31.29 32.42 1st7 h VAL 36 CO 0.16 0.62 0.00 0.61 -1.23 0.00 0.00 177.57 177.73 1st7 n GLY 37 N 1.57 0.37 3.33 5.19 0.00 0.39 -5.03 105.19 111.01 1st7 n GLY 37 Ca -0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.47 0.42 -0.73 1.61 1.01 -1.25 -4.42 116.67 110.84 1st7 s ASP 38 Ca 0.00 -1.36 -0.26 0.00 0.71 0.00 0.00 52.55 51.64 1st7 s ASP 38 Cb 0.00 0.48 -0.11 0.00 1.01 0.00 0.00 42.92 44.30 1st7 s ASP 38 CO 0.00 -0.99 2.35 0.54 0.21 0.00 0.00 175.17 177.28 1st7 s ASN 39 N -3.17 4.17 -0.07 0.27 4.22 -0.59 -4.76 114.94 115.01 1st7 s ASN 39 Ca 0.35 0.23 -0.03 0.00 -2.14 0.00 0.00 52.86 51.27 1st7 s ASN 39 Cb 0.04 -2.54 -0.01 0.00 1.28 0.00 0.00 41.25 40.02 1st7 s ASN 39 CO 0.15 -3.50 -0.05 -0.78 -2.04 0.00 0.00 177.10 170.87 1st7 h ASP 40 N 14.24 0.00 -2.26 3.54 3.58 -1.93 -3.42 116.42 130.17 1st7 h ASP 40 Ca -0.05 0.00 -0.73 0.00 0.42 0.00 0.00 57.03 56.66 1st7 h ASP 40 Cb 1.07 0.00 -0.18 0.00 1.72 0.00 0.00 39.33 41.94 1st7 h ASP 40 CO 1.07 0.36 1.24 -0.54 -2.88 0.00 0.00 179.24 178.49 1st7 s LYS 41 N -1.52 4.02 0.00 0.28 1.02 -1.26 -4.86 119.74 117.42 1st7 s LYS 41 Ca -0.04 -2.49 0.00 0.00 0.02 0.00 0.00 55.97 53.46 1st7 s LYS 41 Cb 0.01 -5.02 0.00 0.00 -0.52 0.00 0.00 37.83 32.29 1st7 s LYS 41 CO 0.06 -1.75 0.36 -1.91 -0.92 0.00 0.00 175.35 171.19 1st7 n GLU 42 N 5.67 0.62 -3.35 1.68 2.13 -1.26 -4.09 120.64 122.04 1st7 n GLU 42 Ca 0.34 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 58.03 1st7 n GLU 42 Cb 0.44 -1.29 -0.07 0.00 0.27 0.00 0.00 31.44 30.78 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 -0.79 0.48 1.00 5.31 1.02 -1.26 -5.15 119.74 120.35 1st7 s LYS 43 Ca 0.00 -0.31 -0.17 0.00 0.02 0.00 0.00 55.97 55.51 1st7 s LYS 43 Cb 0.00 -0.53 0.24 0.00 -0.52 0.00 0.00 37.83 37.02 1st7 s LYS 43 CO 0.00 -1.10 1.13 -0.35 -0.92 0.00 0.00 175.35 174.11 1st7 n PRO 44 N 4.91 -1.95 -1.22 -1.68 -0.04 -1.26 -5.07 135.00 128.70 1st7 n PRO 44 Ca 0.04 -1.77 -0.30 0.00 -0.04 0.00 0.00 63.50 61.42 1st7 n PRO 44 Cb 0.47 -1.36 0.25 0.00 -0.04 0.00 0.00 33.50 32.82 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 -5.10 1.63 -0.22 0.55 0.00 -1.26 -4.99 107.32 97.94 1st7 s GLY 45 Ca 0.68 -1.14 -0.09 0.00 0.00 0.00 0.00 44.72 44.16 1st7 s GLY 45 CO 0.49 -0.21 -0.02 0.29 0.00 0.00 0.00 173.10 173.66 1st7 n ILE 46 N -4.73 1.59 -0.31 0.90 -5.35 -1.26 -3.88 119.36 106.32 1st7 n ILE 46 Ca 0.16 -0.44 0.11 0.00 -0.27 0.00 0.00 62.75 62.30 1st7 n ILE 46 Cb 0.60 -1.74 0.29 0.00 -1.74 0.00 0.00 39.64 37.05 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 -3.79 0.87 -2.36 4.28 1.16 -1.26 -4.87 117.46 111.49 1st7 n PHE 47 Ca -0.42 -0.49 -0.36 0.00 -1.87 0.00 0.00 57.45 54.32 1st7 n PHE 47 Cb 0.92 -0.01 -0.03 0.00 -1.61 0.00 0.00 39.48 38.75 1st7 n PHE 47 CO 0.00 0.00 0.00 1.21 -1.87 0.00 0.00 176.76 176.10 1st7 s ASN 48 N -1.01 5.99 0.39 5.98 3.84 -1.25 -4.79 114.94 124.09 1st7 s ASN 48 Ca 0.44 -1.43 0.19 0.00 0.21 0.00 0.00 52.86 52.27 1st7 s ASN 48 Cb 0.23 -2.57 0.77 0.00 -0.55 0.00 0.00 41.25 39.12 1st7 s ASN 48 CO 0.30 -2.00 1.78 -0.03 -2.79 0.00 0.00 177.10 174.36 1st7 h MET 49 N 9.83 0.00 0.20 0.43 1.85 -1.91 -1.46 114.93 123.87 1st7 h MET 49 Ca 0.22 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.30 1st7 h MET 49 Cb 0.98 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.01 1st7 h MET 49 CO 1.35 0.35 -0.10 0.87 -0.40 0.00 0.00 176.91 178.98 1st7 h LYS 50 N 0.00 -0.26 0.00 0.39 1.79 -2.00 -3.37 116.57 113.12 1st7 h LYS 50 Ca -0.00 0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 58.44 1st7 h LYS 50 Cb 0.81 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.52 1st7 h LYS 50 CO 0.05 -0.06 -0.20 -0.44 -1.08 0.00 0.00 179.45 177.72 1st7 h ASP 51 N -1.04 0.00 -0.83 0.86 3.32 -1.94 -1.18 116.42 115.61 1st7 h ASP 51 Ca -0.03 0.00 0.15 0.00 0.02 0.00 0.00 57.03 57.18 1st7 h ASP 51 Cb 0.32 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.81 1st7 h ASP 51 CO 0.05 0.20 0.54 0.03 -1.72 0.00 0.00 179.24 178.34 1st7 h ARG 52 N 0.00 0.51 0.05 3.56 2.47 -1.44 0.13 114.38 119.65 1st7 h ARG 52 Ca -0.00 -0.03 -0.23 0.00 -1.26 0.00 0.00 59.98 58.45 1st7 h ARG 52 Cb 0.35 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.53 1st7 h ARG 52 CO 0.03 0.34 -1.24 1.88 0.56 0.00 0.00 179.97 181.53 1st7 h TYR 53 N 0.52 0.20 0.00 3.04 0.05 -1.49 -3.37 116.97 115.93 1st7 h TYR 53 Ca 0.41 -0.14 0.00 0.00 0.05 0.00 0.00 58.73 59.05 1st7 h TYR 53 Cb 0.84 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.57 1st7 h TYR 53 CO -0.00 1.49 -0.12 0.87 -1.05 0.00 0.00 178.16 179.35 1st7 h LYS 54 N -0.65 0.00 -0.04 4.88 1.79 -1.06 -0.90 116.57 120.58 1st7 h LYS 54 Ca -0.30 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.04 1st7 h LYS 54 Cb 1.50 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.13 1st7 h LYS 54 CO -0.07 0.00 -0.57 2.35 -1.08 0.00 0.00 179.45 180.08 1st7 h TRP 55 N 0.00 0.17 0.00 -1.35 7.01 -0.98 -2.51 115.95 118.29 1st7 h TRP 55 Ca 0.00 -0.06 -0.09 0.00 2.11 0.00 0.00 58.89 60.84 1st7 h TRP 55 Cb 0.84 -0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 27.85 1st7 h TRP 55 CO 0.00 0.68 -0.44 0.93 -2.79 0.00 0.00 178.44 176.82 1st7 h GLU 56 N 0.11 0.00 0.00 2.65 5.08 -1.45 -0.01 114.58 120.95 1st7 h GLU 56 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1st7 h GLU 56 Cb 1.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1st7 h GLU 56 CO 0.08 0.44 0.00 0.00 -1.00 0.00 0.00 179.01 178.53 1st7 h ALA 57 N 1.56 1.00 0.00 3.43 0.00 -0.94 -2.07 119.26 122.24 1st7 h ALA 57 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 1st7 h ALA 57 Cb 0.87 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1st7 h ALA 57 CO 0.06 0.00 -0.91 2.35 0.00 0.00 0.00 179.25 180.75 1st7 h TRP 58 N 0.00 0.00 0.00 0.00 7.01 -0.88 -3.37 115.95 118.71 1st7 h TRP 58 Ca 0.00 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 1st7 h TRP 58 Cb 0.39 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.45 1st7 h TRP 58 CO 0.00 1.07 0.00 -0.85 -2.79 0.00 0.00 178.44 175.87 1st7 n GLU 59 N -4.51 0.05 -0.31 2.65 0.28 -0.11 -0.84 120.64 117.86 1st7 n GLU 59 Ca -0.23 0.42 0.20 0.00 -0.16 0.00 0.00 57.16 57.39 1st7 n GLU 59 Cb 0.54 -1.62 0.48 0.00 1.43 0.00 0.00 31.44 32.27 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 0.49 -0.85 -1.84 -0.73 -1.53 -1.89 115.58 109.23 1st7 h ASN 60 Ca 0.00 0.07 -0.57 0.00 1.87 0.00 0.00 56.30 57.67 1st7 h ASN 60 Cb 0.14 -0.01 -0.41 0.00 0.27 0.00 0.00 38.32 38.31 1st7 h ASN 60 CO 0.00 0.14 -0.58 0.18 -0.37 0.00 0.00 177.43 176.80 1st7 n LEU 61 N -4.61 5.29 -0.24 0.34 4.32 -0.02 -4.92 117.00 117.16 1st7 n LEU 61 Ca 0.23 -4.73 0.21 0.00 -0.02 0.00 0.00 56.01 51.70 1st7 n LEU 61 Cb 0.78 -0.44 0.39 0.00 -1.62 0.00 0.00 43.42 42.53 1st7 n LEU 61 CO 0.26 2.04 0.73 2.29 -1.22 0.00 0.00 177.39 181.49 1st7 n LYS 62 N -0.72 -0.05 0.00 3.23 2.85 -0.71 -3.38 118.16 119.38 1st7 n LYS 62 Ca 0.46 1.02 0.00 0.00 -1.05 0.00 0.00 58.31 58.74 1st7 n LYS 62 Cb 0.90 -1.79 0.00 0.00 -0.65 0.00 0.00 35.03 33.49 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 -1.22 0.50 1.60 2.58 0.00 -1.26 -1.54 105.19 105.85 1st7 n GLY 63 Ca 0.26 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.36 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 -0.18 4.17 -0.06 1.61 4.81 -1.25 -4.69 118.16 122.57 1st7 n LYS 64 Ca 0.00 -3.00 -0.07 0.00 -0.87 0.00 0.00 58.31 54.37 1st7 n LYS 64 Cb 0.00 -2.05 -0.01 0.00 0.02 0.00 0.00 35.03 32.99 1st7 n LYS 64 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 1st7 h SER 65 N 3.63 -0.61 0.88 3.14 0.02 -1.80 0.11 113.55 118.92 1st7 h SER 65 Ca 0.00 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1st7 h SER 65 Cb 1.69 0.31 0.00 0.00 0.14 0.00 0.00 62.40 64.54 1st7 h SER 65 CO 0.35 -0.22 0.00 0.00 -1.14 0.00 0.00 176.83 175.82 1st7 n GLN 66 N -5.34 0.02 0.00 3.45 6.02 -1.26 -0.71 117.38 119.56 1st7 n GLN 66 Ca -0.00 0.10 -0.22 0.00 -0.01 0.00 0.00 57.00 56.87 1st7 n GLN 66 Cb 0.26 -1.53 -0.14 0.00 1.02 0.00 0.00 30.24 29.85 1st7 n GLN 66 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1st7 h GLU 67 N 0.00 0.26 0.04 -1.09 4.39 -1.66 -3.41 114.58 113.11 1st7 h GLU 67 Ca 0.00 -0.44 -0.34 0.00 0.34 0.00 0.00 59.36 58.92 1st7 h GLU 67 Cb 0.44 0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 29.21 1st7 h GLU 67 CO 0.00 1.21 -1.88 -0.25 -1.16 0.00 0.00 179.01 176.93 1st7 n ASP 68 N -3.55 1.98 -0.05 1.42 8.00 -0.07 -4.47 116.55 119.81 1st7 n ASP 68 Ca -0.31 0.27 -0.08 0.00 0.71 0.00 0.00 54.79 55.38 1st7 n ASP 68 Cb 1.03 -0.84 -0.02 0.00 -0.02 0.00 0.00 41.12 41.27 1st7 n ASP 68 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1st7 h ALA 69 N -0.35 0.12 -0.97 2.24 0.00 -1.13 -0.73 119.26 118.43 1st7 h ALA 69 Ca -0.47 0.09 0.32 0.00 0.00 0.00 0.00 54.91 54.84 1st7 h ALA 69 Cb 1.66 0.20 -0.17 0.00 0.00 0.00 0.00 17.79 19.48 1st7 h ALA 69 CO -0.15 -0.49 0.31 1.05 0.00 0.00 0.00 179.25 179.97 1st7 h GLU 70 N -0.03 0.09 0.07 0.00 4.11 -1.78 0.18 114.58 117.22 1st7 h GLU 70 Ca 0.11 -0.01 -0.29 0.00 0.07 0.00 0.00 59.36 59.25 1st7 h GLU 70 Cb 0.20 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1st7 h GLU 70 CO -0.24 0.06 -1.53 0.87 0.07 0.00 0.00 179.01 178.23 1st7 h LYS 71 N 0.09 0.15 0.00 1.06 1.57 -1.59 -3.34 116.57 114.51 1st7 h LYS 71 Ca 0.69 -0.26 -0.07 0.00 -1.87 0.00 0.00 60.65 59.14 1st7 h LYS 71 Cb 1.59 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.99 1st7 h LYS 71 CO -0.77 1.13 -0.32 0.93 -0.57 0.00 0.00 179.45 179.84 1st7 h GLU 72 N -0.45 0.00 0.21 3.15 5.08 -0.98 -3.31 114.58 118.27 1st7 h GLU 72 Ca -0.36 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.99 1st7 h GLU 72 Cb 1.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.92 1st7 h GLU 72 CO -0.04 0.32 -0.10 -0.92 -1.00 0.00 0.00 179.01 177.27 1st7 h TYR 73 N 0.00 -0.26 -0.99 4.33 3.20 -0.80 -3.03 116.97 119.42 1st7 h TYR 73 Ca -0.00 -0.01 0.23 0.00 3.14 0.00 0.00 58.73 62.09 1st7 h TYR 73 Cb 0.95 0.09 -0.09 0.00 1.54 0.00 0.00 36.73 39.23 1st7 h TYR 73 CO 0.00 0.10 0.64 0.97 -1.64 0.00 0.00 178.16 178.22 1st7 h ILE 74 N -0.68 0.60 -0.37 1.81 2.10 -1.68 -0.11 117.51 119.19 1st7 h ILE 74 Ca -0.03 -0.15 -0.12 0.00 1.08 0.00 0.00 64.86 65.64 1st7 h ILE 74 Cb 0.48 0.12 -0.01 0.00 -1.09 0.00 0.00 36.82 36.31 1st7 h ILE 74 CO 0.05 0.08 -0.25 0.00 -1.08 0.00 0.00 178.15 176.95 1st7 h ALA 75 N 1.62 0.88 -0.12 0.18 0.00 -1.65 0.55 119.26 120.72 1st7 h ALA 75 Ca 0.55 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1st7 h ALA 75 Cb 1.31 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1st7 h ALA 75 CO -0.26 0.63 -0.01 -0.07 0.00 0.00 0.00 179.25 179.53 1st7 h LEU 76 N 0.64 0.21 -0.81 0.00 3.38 -1.18 -3.24 115.31 114.31 1st7 h LEU 76 Ca 0.09 -0.34 -0.06 0.00 0.09 0.00 0.00 57.88 57.65 1st7 h LEU 76 Cb 0.75 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1st7 h LEU 76 CO 0.06 0.50 -0.29 0.58 0.09 0.00 0.00 178.44 179.38 1st7 h VAL 77 N -0.08 0.64 -0.22 1.22 2.07 -0.94 -1.66 116.25 117.28 1st7 h VAL 77 Ca 0.03 -1.40 -0.12 0.00 0.82 0.00 0.00 66.70 66.04 1st7 h VAL 77 Cb 0.40 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 1st7 h VAL 77 CO 0.01 0.29 -0.37 -0.78 0.02 0.00 0.00 177.57 176.74 1st7 h ASP 78 N 0.00 0.51 0.33 0.57 3.58 -0.96 0.24 116.42 120.69 1st7 h ASP 78 Ca -0.00 -0.21 -0.11 0.00 0.42 0.00 0.00 57.03 57.12 1st7 h ASP 78 Cb 0.91 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.80 1st7 h ASP 78 CO 0.04 0.84 -0.46 1.56 -2.88 0.00 0.00 179.24 178.34 1st7 h GLN 79 N 0.41 0.16 0.39 0.28 4.20 -1.42 -2.22 115.11 116.92 1st7 h GLN 79 Ca 0.04 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 1st7 h GLN 79 Cb 0.84 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.62 1st7 h GLN 79 CO 0.07 0.59 -0.19 -0.07 -0.67 0.00 0.00 178.83 178.56 1st7 h LEU 80 N 0.13 -0.44 -1.18 1.46 3.38 -1.02 -3.33 115.31 114.31 1st7 h LEU 80 Ca 0.01 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 1st7 h LEU 80 Cb 0.86 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1st7 h LEU 80 CO 0.07 -0.19 -0.40 0.40 0.09 0.00 0.00 178.44 178.41 1st7 h ILE 81 N -0.78 1.29 -0.48 1.22 2.04 -0.56 0.36 117.51 120.59 1st7 h ILE 81 Ca -0.05 -1.39 0.14 0.00 1.00 0.00 0.00 64.86 64.56 1st7 h ILE 81 Cb 0.40 1.74 -0.02 0.00 -0.74 0.00 0.00 36.82 38.20 1st7 h ILE 81 CO 0.09 0.40 0.35 0.00 0.00 0.00 0.00 178.15 178.98 1st7 h ALA 82 N 1.59 2.45 0.04 1.87 0.00 -1.56 0.31 119.26 123.95 1st7 h ALA 82 Ca -0.00 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.67 1st7 h ALA 82 Cb 0.72 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1st7 h ALA 82 CO 0.05 -0.59 -1.21 0.87 0.00 0.00 0.00 179.25 178.37 1st7 h LYS 83 N 0.00 0.08 -0.01 0.00 1.57 -1.16 -3.44 116.57 113.61 1st7 h LYS 83 Ca 0.23 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1st7 h LYS 83 Cb 0.92 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.28 1st7 h LYS 83 CO -0.00 1.07 -0.72 0.66 -0.57 0.00 0.00 179.45 179.89 1st7 n TYR 84 N -4.24 0.00 -0.17 -1.35 4.01 0.11 -4.35 117.16 111.17 1st7 n TYR 84 Ca -0.28 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.39 1st7 n TYR 84 Cb 0.74 -0.03 -0.01 0.00 -0.31 0.00 0.00 39.34 39.73 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 1.02 -1.22 0.00 7.72 0.87 -1.18 -3.33 113.55 117.43 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 0.60 0.58 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 1st7 h SER 85 CO 0.00 -0.32 0.00 -1.54 -0.53 0.00 0.00 176.83 174.44