#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 1.01 0.20 4.52 7.64 -1.26 -4.23 113.62 121.50 1st7 n SER 2 Ca 0.00 -1.38 -0.13 0.00 1.01 0.00 0.00 58.87 58.36 1st7 n SER 2 Cb 0.00 -0.01 -0.07 0.00 -1.01 0.00 0.00 64.21 63.11 1st7 n SER 2 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1st7 h GLN 3 N 1.53 -0.52 0.00 1.43 4.20 -1.99 -2.79 115.11 116.96 1st7 h GLN 3 Ca 0.00 0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.73 1st7 h GLN 3 Cb 0.33 0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.22 1st7 h GLN 3 CO 0.00 -0.21 -0.08 1.37 -0.67 0.00 0.00 178.83 179.24 1st7 h LEU 4 N -0.91 0.00 0.32 1.46 -0.00 -1.97 -0.59 115.31 113.62 1st7 h LEU 4 Ca -0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.82 1st7 h LEU 4 Cb 0.55 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.20 1st7 h LEU 4 CO 0.09 0.08 -0.29 0.15 -0.00 0.00 0.00 178.44 178.47 1st7 h PHE 5 N 0.00 -0.78 0.00 0.17 3.04 -1.73 -0.58 116.94 117.07 1st7 h PHE 5 Ca -0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1st7 h PHE 5 Cb 0.16 0.30 0.00 0.00 2.56 0.00 0.00 35.95 38.97 1st7 h PHE 5 CO 0.00 -0.42 0.00 0.39 -2.02 0.00 0.00 178.31 176.26 1st7 n GLU 6 N -5.41 0.22 0.25 1.11 1.02 -0.54 -0.48 120.64 116.81 1st7 n GLU 6 Ca -0.09 0.20 -0.10 0.00 -0.02 0.00 0.00 57.16 57.15 1st7 n GLU 6 Cb 0.32 -1.77 -0.05 0.00 -0.02 0.00 0.00 31.44 29.92 1st7 n GLU 6 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1st7 h GLU 7 N 0.00 -0.64 0.00 3.49 4.39 -1.02 -3.38 114.58 117.42 1st7 h GLU 7 Ca 0.00 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1st7 h GLU 7 Cb 0.67 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 1st7 h GLU 7 CO 0.00 -0.42 -0.80 0.87 -1.16 0.00 0.00 179.01 177.50 1st7 h LYS 8 N -0.87 0.00 -0.29 2.33 1.79 -1.02 -3.32 116.57 115.19 1st7 h LYS 8 Ca -0.07 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.22 1st7 h LYS 8 Cb 0.51 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.16 1st7 h LYS 8 CO 0.11 0.00 -0.55 0.00 -1.08 0.00 0.00 179.45 177.93 1st7 h ALA 9 N 2.30 0.47 -1.00 3.86 0.00 -0.96 -2.07 119.26 121.86 1st7 h ALA 9 Ca 0.00 -0.52 0.15 0.00 0.00 0.00 0.00 54.91 54.54 1st7 h ALA 9 Cb 0.85 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.47 1st7 h ALA 9 CO 0.00 0.68 0.62 0.87 0.00 0.00 0.00 179.25 181.42 1st7 h LYS 10 N 0.67 0.86 0.32 0.00 1.79 -1.73 -2.46 116.57 116.01 1st7 h LYS 10 Ca 0.01 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.42 1st7 h LYS 10 Cb 1.16 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 31.62 1st7 h LYS 10 CO 0.12 0.57 -0.15 0.00 -1.08 0.00 0.00 179.45 178.91 1st7 h ALA 11 N 1.59 -0.42 0.00 3.86 0.00 -1.56 -3.30 119.26 119.42 1st7 h ALA 11 Ca 0.53 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 1st7 h ALA 11 Cb 0.67 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1st7 h ALA 11 CO -0.32 -0.47 -0.10 -0.39 0.00 0.00 0.00 179.25 177.97 1st7 h VAL 12 N -0.96 0.79 0.00 0.00 -1.51 -1.30 0.24 116.25 113.52 1st7 h VAL 12 Ca -0.04 -0.37 -0.02 0.00 -1.23 0.00 0.00 66.70 65.03 1st7 h VAL 12 Cb 0.50 1.22 -0.00 0.00 -2.13 0.00 0.00 31.29 30.88 1st7 h VAL 12 CO 0.07 0.10 -0.10 0.78 -1.23 0.00 0.00 177.57 177.18 1st7 h ASN 13 N 0.00 0.00 0.00 4.19 2.35 -1.53 -3.30 115.58 117.29 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 0.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1st7 h ASN 13 CO 0.01 0.10 -0.26 -1.84 -1.65 0.00 0.00 177.43 173.79 1st7 n GLU 14 N -3.27 0.58 -1.71 0.81 0.28 -0.40 -4.98 120.64 111.95 1st7 n GLU 14 Ca 0.00 -1.47 -0.32 0.00 -0.16 0.00 0.00 57.16 55.21 1st7 n GLU 14 Cb 0.34 -0.84 0.05 0.00 1.43 0.00 0.00 31.44 32.42 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 -0.95 3.31 0.47 -1.84 2.96 -0.06 -4.93 118.68 117.63 1st7 s LEU 15 Ca 0.10 1.86 0.26 0.00 -0.22 0.00 0.00 54.13 56.13 1st7 s LEU 15 Cb 0.09 -4.53 0.72 0.00 0.50 0.00 0.00 46.19 42.96 1st7 s LEU 15 CO 0.01 -1.56 1.74 1.55 -1.32 0.00 0.00 176.35 176.78 1st7 h PRO 16 N -0.19 0.00 -3.16 0.98 0.13 -1.86 -3.26 132.00 124.63 1st7 h PRO 16 Ca -0.46 0.00 -0.75 0.00 -0.87 0.00 0.00 66.00 63.93 1st7 h PRO 16 Cb 1.23 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.04 1st7 h PRO 16 CO 0.55 0.05 0.23 2.41 -0.23 0.00 0.00 178.00 181.00 1st7 n THR 17 N -3.12 3.97 -1.78 1.56 -1.04 -1.26 -5.05 114.28 107.56 1st7 n THR 17 Ca 0.02 -5.41 -0.36 0.00 -2.04 0.00 0.00 64.05 56.26 1st7 n THR 17 Cb 0.46 -2.33 0.06 0.00 -1.82 0.00 0.00 70.33 66.70 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 -1.84 2.62 0.60 -2.82 1.02 -1.23 -4.77 119.74 113.32 1st7 s LYS 18 Ca 0.31 1.95 -0.18 0.00 0.02 0.00 0.00 55.97 58.06 1st7 s LYS 18 Cb -0.03 -1.87 -0.03 0.00 -0.52 0.00 0.00 37.83 35.39 1st7 s LYS 18 CO -0.04 -1.52 1.18 -2.14 -0.92 0.00 0.00 175.35 171.91 1st7 s PRO 19 N -3.44 2.96 0.78 -1.68 0.02 -1.26 -4.98 135.00 127.39 1st7 s PRO 19 Ca 0.80 1.74 -0.10 0.00 0.02 0.00 0.00 61.00 63.46 1st7 s PRO 19 Cb -0.34 -1.94 0.08 0.00 0.02 0.00 0.00 34.50 32.33 1st7 s PRO 19 CO 0.38 -1.19 1.12 0.45 -0.33 0.00 0.00 177.00 177.43 1st7 s SER 20 N -1.75 4.50 0.14 2.53 0.15 -1.26 -4.72 113.70 113.29 1st7 s SER 20 Ca 0.75 0.55 -0.30 0.00 0.70 0.00 0.00 55.95 57.66 1st7 s SER 20 Cb -0.28 -1.06 -0.05 0.00 -1.71 0.00 0.00 66.02 62.91 1st7 s SER 20 CO 0.34 -1.85 1.57 0.74 1.20 0.00 0.00 173.24 175.23 1st7 h THR 21 N -0.90 0.08 0.00 6.45 2.02 -2.00 0.15 112.91 118.72 1st7 h THR 21 Ca -0.45 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 66.66 1st7 h THR 21 Cb 1.31 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 1st7 h THR 21 CO 0.60 0.00 -0.63 0.44 0.37 0.00 0.00 175.52 176.30 1st7 h ASP 22 N -0.42 0.00 -0.36 4.18 3.32 -2.03 -3.32 116.42 117.79 1st7 h ASP 22 Ca 0.10 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.00 1st7 h ASP 22 Cb 0.61 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 1st7 h ASP 22 CO -0.51 0.28 -0.35 -0.33 -1.72 0.00 0.00 179.24 176.60 1st7 h GLU 23 N 0.00 0.88 -0.79 3.56 5.08 -1.79 -3.26 114.58 118.25 1st7 h GLU 23 Ca -0.03 -0.46 0.14 0.00 -1.00 0.00 0.00 59.36 58.00 1st7 h GLU 23 Cb 1.24 0.02 -0.14 0.00 0.50 0.00 0.00 28.75 30.37 1st7 h GLU 23 CO 0.03 1.11 -0.33 1.25 -1.00 0.00 0.00 179.01 180.07 1st7 h LEU 24 N 0.68 -1.18 -0.52 1.33 7.12 -0.81 0.13 115.31 122.07 1st7 h LEU 24 Ca 0.06 0.26 0.08 0.00 0.13 0.00 0.00 57.88 58.41 1st7 h LEU 24 Cb 0.94 0.63 -0.07 0.00 -0.53 0.00 0.00 40.66 41.64 1st7 h LEU 24 CO 0.09 -0.29 0.14 -0.07 -0.13 0.00 0.00 178.44 178.18 1st7 h LEU 25 N -0.07 0.09 -0.29 2.25 -0.00 -1.73 0.45 115.31 116.01 1st7 h LEU 25 Ca 0.31 0.08 -0.07 0.00 -0.00 0.00 0.00 57.88 58.19 1st7 h LEU 25 Cb 0.58 0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 41.32 1st7 h LEU 25 CO -0.83 0.07 -0.11 -0.33 -0.00 0.00 0.00 178.44 177.24 1st7 h GLU 26 N 0.30 0.58 -0.38 1.13 5.08 -1.51 -2.57 114.58 117.20 1st7 h GLU 26 Ca 0.26 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1st7 h GLU 26 Cb 0.32 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1st7 h GLU 26 CO -0.30 0.81 0.17 1.25 -1.00 0.00 0.00 179.01 179.93 1st7 h LEU 27 N 0.33 0.52 0.67 1.33 7.12 -0.14 -1.23 115.31 123.90 1st7 h LEU 27 Ca 0.07 -0.15 -0.03 0.00 0.13 0.00 0.00 57.88 57.90 1st7 h LEU 27 Cb 0.62 -0.13 0.00 0.00 -0.53 0.00 0.00 40.66 40.62 1st7 h LEU 27 CO 0.04 0.53 -0.35 0.22 -0.13 0.00 0.00 178.44 178.74 1st7 h TYR 28 N 0.47 -0.93 -0.54 1.25 5.03 -0.24 -2.10 116.97 119.91 1st7 h TYR 28 Ca 0.13 -0.02 0.09 0.00 2.58 0.00 0.00 58.73 61.51 1st7 h TYR 28 Cb 0.16 0.32 -0.07 0.00 1.55 0.00 0.00 36.73 38.69 1st7 h TYR 28 CO -0.01 -0.56 0.15 0.00 -1.32 0.00 0.00 178.16 176.43 1st7 h ALA 29 N -0.63 0.64 -0.18 1.82 0.00 -1.10 0.22 119.26 120.03 1st7 h ALA 29 Ca -0.09 0.09 -0.22 0.00 0.00 0.00 0.00 54.91 54.70 1st7 h ALA 29 Cb 0.74 0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.63 1st7 h ALA 29 CO 0.13 -0.26 -0.73 -0.07 0.00 0.00 0.00 179.25 178.32 1st7 h LEU 30 N 0.31 0.95 0.34 0.00 4.07 -1.33 -0.32 115.31 119.32 1st7 h LEU 30 Ca 0.27 -0.60 -0.01 0.00 0.08 0.00 0.00 57.88 57.63 1st7 h LEU 30 Cb 0.34 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.79 1st7 h LEU 30 CO -0.31 1.40 -0.27 0.22 -1.08 0.00 0.00 178.44 178.40 1st7 h TYR 31 N 0.57 -0.72 -0.15 1.13 3.20 -0.67 -1.87 116.97 118.46 1st7 h TYR 31 Ca -0.04 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.83 1st7 h TYR 31 Cb 1.35 0.27 -0.01 0.00 1.54 0.00 0.00 36.73 39.88 1st7 h TYR 31 CO 0.08 -0.40 0.09 0.87 -1.64 0.00 0.00 178.16 177.16 1st7 h LYS 32 N -0.62 0.20 0.68 1.82 1.79 -0.67 -0.60 116.57 119.16 1st7 h LYS 32 Ca -0.03 -0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.40 1st7 h LYS 32 Cb 0.54 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 31.15 1st7 h LYS 32 CO -0.01 0.14 -0.42 1.96 -1.08 0.00 0.00 179.45 180.04 1st7 h GLN 33 N 0.20 -0.99 -0.00 3.15 4.20 -0.27 -1.85 115.11 119.55 1st7 h GLN 33 Ca 0.05 0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.83 1st7 h GLN 33 Cb -0.01 0.23 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1st7 h GLN 33 CO -0.01 -0.66 -0.47 0.00 -0.67 0.00 0.00 178.83 177.02 1st7 n ALA 34 N -2.63 3.47 0.03 3.87 0.00 -0.86 -0.51 120.51 123.88 1st7 n ALA 34 Ca -0.13 -0.34 -0.12 0.00 0.00 0.00 0.00 53.44 52.85 1st7 n ALA 34 Cb 0.43 -1.14 -0.09 0.00 0.00 0.00 0.00 19.45 18.65 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 0.04 1.11 0.00 0.00 2.02 -1.15 -3.40 112.91 111.53 1st7 h THR 35 Ca 0.00 -1.16 -0.07 0.00 0.77 0.00 0.00 66.41 65.95 1st7 h THR 35 Cb 0.50 1.81 -0.01 0.00 -1.74 0.00 0.00 68.15 68.71 1st7 h THR 35 CO 0.00 0.27 -0.48 0.58 0.37 0.00 0.00 175.52 176.26 1st7 h VAL 36 N -0.71 0.81 0.00 3.16 2.07 -1.39 -3.49 116.25 116.69 1st7 h VAL 36 Ca -0.01 -1.75 0.00 0.00 0.82 0.00 0.00 66.70 65.75 1st7 h VAL 36 Cb 0.54 1.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 1st7 h VAL 36 CO 0.02 0.27 0.00 0.61 0.02 0.00 0.00 177.57 178.50 1st7 n GLY 37 N 1.59 2.13 3.36 2.17 0.00 0.33 -5.06 105.19 109.71 1st7 n GLY 37 Ca -0.14 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.91 1.76 -0.63 1.61 1.01 -1.26 -4.36 116.67 112.89 1st7 s ASP 38 Ca 0.00 -1.60 -0.26 0.00 0.71 0.00 0.00 52.55 51.40 1st7 s ASP 38 Cb 0.00 0.42 -0.05 0.00 1.01 0.00 0.00 42.92 44.31 1st7 s ASP 38 CO 0.00 -0.92 2.07 0.54 0.21 0.00 0.00 175.17 177.07 1st7 s ASN 39 N -3.41 4.91 -0.05 0.27 4.22 -0.58 -4.82 114.94 115.48 1st7 s ASN 39 Ca 0.34 0.37 -0.02 0.00 -2.14 0.00 0.00 52.86 51.42 1st7 s ASN 39 Cb 0.04 -2.53 -0.01 0.00 1.28 0.00 0.00 41.25 40.04 1st7 s ASN 39 CO 0.18 -2.69 -0.04 -0.78 -2.04 0.00 0.00 177.10 171.73 1st7 h ASP 40 N 15.56 0.00 -1.61 3.54 1.82 -1.92 -3.44 116.42 130.37 1st7 h ASP 40 Ca -0.18 0.00 -0.70 0.00 -0.39 0.00 0.00 57.03 55.76 1st7 h ASP 40 Cb 1.16 0.00 -0.13 0.00 0.68 0.00 0.00 39.33 41.03 1st7 h ASP 40 CO 1.18 0.27 1.64 -0.54 -1.61 0.00 0.00 179.24 180.19 1st7 s LYS 41 N -1.39 3.97 0.00 0.28 1.02 -1.26 -4.86 119.74 117.49 1st7 s LYS 41 Ca -0.03 -2.16 -0.05 0.00 0.02 0.00 0.00 55.97 53.75 1st7 s LYS 41 Cb 0.00 -5.25 -0.21 0.00 -0.52 0.00 0.00 37.83 31.85 1st7 s LYS 41 CO 0.05 -1.99 3.17 -1.91 -0.92 0.00 0.00 175.35 173.75 1st7 n GLU 42 N 7.04 1.72 -3.09 1.68 2.13 -1.26 -4.11 120.64 124.75 1st7 n GLU 42 Ca 0.40 -0.78 -0.00 0.00 0.66 0.00 0.00 57.16 57.44 1st7 n GLU 42 Cb 0.45 -1.81 -0.00 0.00 0.27 0.00 0.00 31.44 30.35 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 0.96 0.88 0.90 5.31 -2.85 -1.26 -5.16 119.74 118.52 1st7 s LYS 43 Ca 0.52 -0.47 -0.15 0.00 -1.00 0.00 0.00 55.97 54.87 1st7 s LYS 43 Cb 0.25 0.06 0.22 0.00 -2.06 0.00 0.00 37.83 36.30 1st7 s LYS 43 CO 0.00 -1.21 0.93 -0.35 0.10 0.00 0.00 175.35 174.81 1st7 n PRO 44 N 4.02 -2.12 -0.75 1.78 -0.04 -1.26 -5.04 135.00 131.59 1st7 n PRO 44 Ca 0.13 -1.46 -0.15 0.00 -0.04 0.00 0.00 63.50 61.97 1st7 n PRO 44 Cb 0.57 -1.22 0.12 0.00 -0.04 0.00 0.00 33.50 32.93 1st7 n PRO 44 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1st7 n GLY 45 N -2.77 -2.03 0.11 0.55 0.00 -1.26 -4.97 105.19 94.82 1st7 n GLY 45 Ca 0.12 -1.57 -0.14 0.00 0.00 0.00 0.00 46.02 44.43 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 -3.38 1.59 0.04 -0.61 -5.35 -1.26 -3.91 119.36 106.48 1st7 n ILE 46 Ca 0.08 -0.73 0.02 0.00 -0.27 0.00 0.00 62.75 61.85 1st7 n ILE 46 Cb 0.30 -1.18 0.03 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 -3.15 0.07 -2.61 4.28 1.16 -1.26 -5.04 117.46 110.92 1st7 n PHE 47 Ca -0.31 -0.25 -0.42 0.00 -1.87 0.00 0.00 57.45 54.60 1st7 n PHE 47 Cb 1.06 -0.02 -0.03 0.00 -1.61 0.00 0.00 39.48 38.88 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 -0.65 6.32 0.09 5.98 3.84 -1.25 -4.87 114.94 124.41 1st7 s ASN 48 Ca 0.06 -0.19 -0.13 0.00 0.21 0.00 0.00 52.86 52.80 1st7 s ASN 48 Cb 0.03 -2.54 -0.17 0.00 -0.55 0.00 0.00 41.25 38.02 1st7 s ASN 48 CO 0.05 -1.58 1.27 0.24 -2.79 0.00 0.00 177.10 174.29 1st7 h MET 49 N 9.70 0.76 0.05 0.43 2.86 -1.96 -3.11 114.93 123.66 1st7 h MET 49 Ca -0.26 -0.66 -0.00 0.00 -2.06 0.00 0.00 59.70 56.71 1st7 h MET 49 Cb 1.06 0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.87 1st7 h MET 49 CO 1.21 1.26 -0.02 0.87 1.06 0.00 0.00 176.91 181.29 1st7 h LYS 50 N 0.48 -0.06 -0.51 1.72 6.56 -2.00 -2.82 116.57 119.94 1st7 h LYS 50 Ca -0.07 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.52 1st7 h LYS 50 Cb 1.45 0.01 -0.03 0.00 -0.57 0.00 0.00 32.23 33.10 1st7 h LYS 50 CO 0.17 0.33 0.30 -0.44 -2.06 0.00 0.00 179.45 177.74 1st7 h ASP 51 N -0.47 0.61 -0.59 0.86 3.32 -1.99 -1.20 116.42 116.95 1st7 h ASP 51 Ca -0.01 -0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.05 1st7 h ASP 51 Cb 0.42 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 39.77 1st7 h ASP 51 CO 0.01 0.48 0.34 0.03 -1.72 0.00 0.00 179.24 178.38 1st7 h ARG 52 N 0.71 0.62 -0.02 3.56 3.08 -1.48 0.98 114.38 121.83 1st7 h ARG 52 Ca 0.18 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.20 1st7 h ARG 52 Cb -0.01 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 29.90 1st7 h ARG 52 CO -0.03 0.41 0.01 1.88 -1.07 0.00 0.00 179.97 181.17 1st7 h TYR 53 N 0.64 0.04 -0.73 3.04 0.05 -1.18 -2.67 116.97 116.17 1st7 h TYR 53 Ca 0.25 -0.00 0.07 0.00 0.05 0.00 0.00 58.73 59.10 1st7 h TYR 53 Cb 0.11 -0.01 -0.06 0.00 1.01 0.00 0.00 36.73 37.78 1st7 h TYR 53 CO -0.08 0.24 0.41 0.87 -1.05 0.00 0.00 178.16 178.56 1st7 h LYS 54 N -0.18 0.71 -0.33 4.88 1.57 -1.05 -1.67 116.57 120.50 1st7 h LYS 54 Ca 0.01 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.62 1st7 h LYS 54 Cb 0.22 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1st7 h LYS 54 CO -0.00 0.47 -0.29 2.35 -0.57 0.00 0.00 179.45 181.41 1st7 h TRP 55 N 0.73 0.79 0.00 -1.35 7.01 -0.83 -2.41 115.95 119.89 1st7 h TRP 55 Ca 0.34 -0.20 -0.09 0.00 2.11 0.00 0.00 58.89 61.05 1st7 h TRP 55 Cb 0.25 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 27.11 1st7 h TRP 55 CO -0.07 0.90 -0.43 1.49 -2.79 0.00 0.00 178.44 177.54 1st7 h GLU 56 N 0.59 0.00 0.00 2.65 4.81 -1.07 0.05 114.58 121.60 1st7 h GLU 56 Ca 0.07 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.25 1st7 h GLU 56 Cb 0.79 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.16 1st7 h GLU 56 CO 0.06 0.43 -0.27 0.00 -0.73 0.00 0.00 179.01 178.50 1st7 h ALA 57 N 1.57 1.00 0.05 2.92 0.00 -1.14 -3.12 119.26 120.55 1st7 h ALA 57 Ca -0.00 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 1st7 h ALA 57 Cb 0.92 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1st7 h ALA 57 CO 0.06 0.34 -0.48 2.35 0.00 0.00 0.00 179.25 181.51 1st7 h TRP 58 N 0.00 0.20 0.00 0.00 7.01 -0.82 -3.34 115.95 119.00 1st7 h TRP 58 Ca -0.00 -0.14 0.00 0.00 2.11 0.00 0.00 58.89 60.85 1st7 h TRP 58 Cb 0.81 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 27.86 1st7 h TRP 58 CO 0.00 1.19 0.00 -0.85 -2.79 0.00 0.00 178.44 175.99 1st7 n GLU 59 N -4.39 0.01 -0.29 2.65 -0.00 -0.08 -0.79 120.64 117.75 1st7 n GLU 59 Ca -0.15 0.32 -0.05 0.00 -0.00 0.00 0.00 57.16 57.28 1st7 n GLU 59 Cb 0.64 -1.52 0.07 0.00 -0.00 0.00 0.00 31.44 30.62 1st7 n GLU 59 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.13 176.16 1st7 h ASN 60 N 0.00 1.06 -0.99 -1.84 -0.73 -1.66 -3.08 115.58 108.34 1st7 h ASN 60 Ca 0.00 -0.14 -0.63 0.00 1.87 0.00 0.00 56.30 57.40 1st7 h ASN 60 Cb 0.19 -0.27 -0.35 0.00 0.27 0.00 0.00 38.32 38.16 1st7 h ASN 60 CO 0.00 0.90 0.16 0.18 -0.37 0.00 0.00 177.43 178.30 1st7 n LEU 61 N -4.34 6.49 -0.13 0.34 4.32 0.03 -4.83 117.00 118.88 1st7 n LEU 61 Ca 0.07 -4.55 0.02 0.00 -0.02 0.00 0.00 56.01 51.54 1st7 n LEU 61 Cb 0.14 -0.71 0.05 0.00 -1.62 0.00 0.00 43.42 41.28 1st7 n LEU 61 CO 0.40 1.77 0.23 2.29 -1.22 0.00 0.00 177.39 180.86 1st7 n LYS 62 N -0.79 -0.03 0.00 3.23 -0.00 -1.16 -3.88 118.16 115.52 1st7 n LYS 62 Ca 0.54 0.55 0.00 0.00 -0.00 0.00 0.00 58.31 59.40 1st7 n LYS 62 Cb 0.75 -0.82 0.00 0.00 -0.00 0.00 0.00 35.03 34.96 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 -1.22 0.16 1.44 2.58 0.00 -1.26 -1.52 105.19 105.37 1st7 n GLY 63 Ca 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.36 2.59 -0.03 1.61 5.02 -1.26 -4.75 118.16 120.97 1st7 n LYS 64 Ca 0.00 -3.06 -0.08 0.00 -2.02 0.00 0.00 58.31 53.15 1st7 n LYS 64 Cb 0.00 -1.97 -0.02 0.00 -0.02 0.00 0.00 35.03 33.02 1st7 n LYS 64 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1st7 h SER 65 N 1.57 -0.31 0.99 4.39 0.02 -1.80 -1.03 113.55 117.38 1st7 h SER 65 Ca 0.24 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 1st7 h SER 65 Cb 1.94 0.17 0.00 0.00 0.14 0.00 0.00 62.40 64.66 1st7 h SER 65 CO 0.54 -0.12 0.00 0.00 -1.14 0.00 0.00 176.83 176.10 1st7 n GLN 66 N -5.25 0.05 -0.06 3.45 6.02 -1.26 -0.77 117.38 119.56 1st7 n GLN 66 Ca -0.02 0.09 -0.22 0.00 -0.01 0.00 0.00 57.00 56.83 1st7 n GLN 66 Cb 0.17 -1.56 -0.12 0.00 1.02 0.00 0.00 30.24 29.74 1st7 n GLN 66 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1st7 n GLU 67 N -1.64 0.66 -0.03 -1.09 1.02 -1.02 -4.57 120.64 113.96 1st7 n GLU 67 Ca 0.06 0.40 -0.15 0.00 -0.02 0.00 0.00 57.16 57.45 1st7 n GLU 67 Cb 0.32 -1.70 -0.14 0.00 -0.02 0.00 0.00 31.44 29.90 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 -3.96 1.43 0.24 1.62 2.03 -0.42 -4.25 116.55 113.23 1st7 n ASP 68 Ca -0.34 0.21 -0.15 0.00 0.52 0.00 0.00 54.79 55.03 1st7 n ASP 68 Cb 0.87 -0.31 -0.08 0.00 -0.72 0.00 0.00 41.12 40.88 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 0.49 -1.08 -1.00 -1.67 0.00 -1.16 -2.58 119.26 112.26 1st7 h ALA 69 Ca -0.41 -0.16 0.39 0.00 0.00 0.00 0.00 54.91 54.74 1st7 h ALA 69 Cb 2.04 0.65 -0.18 0.00 0.00 0.00 0.00 17.79 20.30 1st7 h ALA 69 CO 0.06 -1.11 0.50 1.05 0.00 0.00 0.00 179.25 179.75 1st7 h GLU 70 N -0.82 0.04 0.10 0.00 4.11 -1.77 0.21 114.58 116.46 1st7 h GLU 70 Ca -0.05 -0.00 -0.32 0.00 0.07 0.00 0.00 59.36 59.05 1st7 h GLU 70 Cb 0.71 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 1st7 h GLU 70 CO -0.05 0.03 -1.73 0.87 0.07 0.00 0.00 179.01 178.20 1st7 h LYS 71 N 0.04 0.22 0.00 1.06 1.57 -1.72 -3.31 116.57 114.43 1st7 h LYS 71 Ca 0.81 -0.37 -0.04 0.00 -1.87 0.00 0.00 60.65 59.19 1st7 h LYS 71 Cb 2.09 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 34.53 1st7 h LYS 71 CO -0.76 1.04 -0.42 0.93 -0.57 0.00 0.00 179.45 179.67 1st7 h GLU 72 N 0.06 0.00 0.19 3.15 4.39 -1.05 -3.38 114.58 117.95 1st7 h GLU 72 Ca -0.31 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.38 1st7 h GLU 72 Cb 2.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.68 1st7 h GLU 72 CO 0.12 0.16 -0.09 -0.92 -1.16 0.00 0.00 179.01 177.12 1st7 h TYR 73 N 0.00 -0.24 -0.99 4.33 3.20 -0.69 -2.80 116.97 119.77 1st7 h TYR 73 Ca -0.01 -0.01 0.20 0.00 3.14 0.00 0.00 58.73 62.05 1st7 h TYR 73 Cb 1.15 0.08 -0.19 0.00 1.54 0.00 0.00 36.73 39.31 1st7 h TYR 73 CO 0.00 -0.00 -0.26 1.51 -1.64 0.00 0.00 178.16 177.77 1st7 n ILE 74 N -5.12 -0.42 0.50 1.81 0.00 -1.25 -0.78 119.36 114.11 1st7 n ILE 74 Ca -0.09 2.28 0.13 0.00 0.00 0.00 0.00 62.75 65.07 1st7 n ILE 74 Cb 0.19 -3.15 0.44 0.00 0.00 0.00 0.00 39.64 37.12 1st7 n ILE 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1st7 h ALA 75 N 1.95 1.00 0.23 1.51 0.00 -1.72 0.90 119.26 123.14 1st7 h ALA 75 Ca 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.37 1st7 h ALA 75 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1st7 h ALA 75 CO -1.02 0.00 -0.11 -0.07 0.00 0.00 0.00 179.25 178.05 1st7 h LEU 76 N 0.00 -0.26 -0.71 0.00 3.38 -0.92 -3.39 115.31 113.41 1st7 h LEU 76 Ca 0.00 -0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.80 1st7 h LEU 76 Cb 0.61 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 1st7 h LEU 76 CO 0.00 0.22 -0.60 0.58 0.09 0.00 0.00 178.44 178.73 1st7 h VAL 77 N -1.07 1.33 -0.57 1.22 2.07 -0.78 -2.09 116.25 116.37 1st7 h VAL 77 Ca -0.03 -2.11 -0.06 0.00 0.82 0.00 0.00 66.70 65.32 1st7 h VAL 77 Cb 0.29 2.17 -0.03 0.00 -1.52 0.00 0.00 31.29 32.21 1st7 h VAL 77 CO 0.05 0.58 0.13 -0.78 0.02 0.00 0.00 177.57 177.58 1st7 h ASP 78 N 0.00 0.84 1.10 0.57 3.58 -1.04 0.30 116.42 121.76 1st7 h ASP 78 Ca -0.01 -0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.29 1st7 h ASP 78 Cb 1.12 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.95 1st7 h ASP 78 CO 0.08 0.82 -0.17 0.00 -2.88 0.00 0.00 179.24 177.09 1st7 n GLN 79 N -4.26 0.15 0.11 0.28 6.02 -0.99 -0.92 117.38 117.76 1st7 n GLN 79 Ca 0.04 0.10 -0.05 0.00 -0.01 0.00 0.00 57.00 57.08 1st7 n GLN 79 Cb 0.24 -1.65 -0.02 0.00 1.02 0.00 0.00 30.24 29.82 1st7 n GLN 79 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1st7 h LEU 80 N 0.00 -0.29 -1.11 1.08 3.38 -0.71 -3.36 115.31 114.30 1st7 h LEU 80 Ca 0.00 0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.12 1st7 h LEU 80 Cb 0.63 0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.38 1st7 h LEU 80 CO 0.00 0.08 0.61 0.40 0.09 0.00 0.00 178.44 179.62 1st7 h ILE 81 N -0.92 0.85 -0.85 1.22 1.08 -0.37 0.33 117.51 118.86 1st7 h ILE 81 Ca -0.03 -0.29 0.19 0.00 -0.39 0.00 0.00 64.86 64.34 1st7 h ILE 81 Cb 0.26 -0.07 -0.12 0.00 -3.07 0.00 0.00 36.82 33.82 1st7 h ILE 81 CO 0.06 0.15 0.33 0.00 -0.69 0.00 0.00 178.15 178.01 1st7 h ALA 82 N 1.58 1.28 0.17 1.87 0.00 -1.22 -0.20 119.26 122.74 1st7 h ALA 82 Ca 0.49 0.16 -0.35 0.00 0.00 0.00 0.00 54.91 55.21 1st7 h ALA 82 Cb 0.64 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1st7 h ALA 82 CO -0.26 -0.31 -1.80 0.87 0.00 0.00 0.00 179.25 177.75 1st7 h LYS 83 N 0.39 0.35 0.00 0.00 1.57 -1.23 -3.43 116.57 114.21 1st7 h LYS 83 Ca 0.51 -0.60 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1st7 h LYS 83 Cb 0.91 0.22 -0.00 0.00 0.08 0.00 0.00 32.23 33.45 1st7 h LYS 83 CO -0.51 1.27 -1.98 0.66 -0.57 0.00 0.00 179.45 178.32 1st7 n TYR 84 N -3.55 0.00 -0.29 -1.35 4.01 0.10 -4.43 117.16 111.65 1st7 n TYR 84 Ca -0.26 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.44 1st7 n TYR 84 Cb 1.07 -0.50 0.00 0.00 -0.31 0.00 0.00 39.34 39.60 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 -1.41 0.00 7.72 0.87 -1.27 -3.35 113.55 116.11 1st7 h SER 85 Ca -0.02 0.27 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 1st7 h SER 85 Cb 1.02 0.69 0.00 0.00 -0.44 0.00 0.00 62.40 63.67 1st7 h SER 85 CO 0.00 -0.30 0.00 -0.24 -0.53 0.00 0.00 176.83 175.76