#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 0.87 -1.98 -1.85 113.55 109.32 1st7 h SER 2 Ca 0.00 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.30 1st7 h SER 2 Cb 0.00 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 61.98 1st7 h SER 2 CO 0.00 0.45 -1.02 1.56 -0.53 0.00 0.00 176.83 177.29 1st7 h GLN 3 N 0.00 0.65 -0.58 2.24 1.08 -2.00 -3.22 115.11 113.28 1st7 h GLN 3 Ca -0.00 -0.69 -0.06 0.00 -1.45 0.00 0.00 58.65 56.44 1st7 h GLN 3 Cb 1.31 0.19 -0.03 0.00 -0.05 0.00 0.00 27.48 28.91 1st7 h GLN 3 CO 0.06 1.28 0.11 1.25 -0.95 0.00 0.00 178.83 180.58 1st7 h LEU 4 N 0.37 0.86 -0.85 1.46 5.85 -1.93 -1.51 115.31 119.56 1st7 h LEU 4 Ca -0.12 -0.18 0.22 0.00 0.84 0.00 0.00 57.88 58.64 1st7 h LEU 4 Cb 1.67 -0.23 -0.13 0.00 0.37 0.00 0.00 40.66 42.34 1st7 h LEU 4 CO 0.20 0.86 0.25 0.15 -0.34 0.00 0.00 178.44 179.55 1st7 h PHE 5 N 0.87 0.38 0.14 1.25 3.04 -1.40 0.08 116.94 121.31 1st7 h PHE 5 Ca 0.18 0.05 -0.29 0.00 3.98 0.00 0.00 57.97 61.88 1st7 h PHE 5 Cb 0.36 -0.03 0.02 0.00 2.56 0.00 0.00 35.95 38.86 1st7 h PHE 5 CO 0.02 -0.16 -1.27 0.93 -2.02 0.00 0.00 178.31 175.82 1st7 h GLU 6 N 0.25 0.50 -0.17 1.11 5.08 -1.31 0.36 114.58 120.40 1st7 h GLU 6 Ca 0.53 -0.72 0.04 0.00 -1.00 0.00 0.00 59.36 58.20 1st7 h GLU 6 Cb 1.02 0.25 -0.03 0.00 0.50 0.00 0.00 28.75 30.49 1st7 h GLU 6 CO -0.61 1.33 -0.06 1.49 -1.00 0.00 0.00 179.01 180.16 1st7 h GLU 7 N 0.19 -0.02 0.05 2.33 4.57 -0.82 -2.48 114.58 118.40 1st7 h GLU 7 Ca -0.18 0.00 -0.23 0.00 -1.18 0.00 0.00 59.36 57.77 1st7 h GLU 7 Cb 1.95 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 30.54 1st7 h GLU 7 CO 0.23 -0.02 -1.03 0.87 -1.18 0.00 0.00 179.01 177.88 1st7 h LYS 8 N -0.02 0.17 -0.28 1.92 1.57 -1.05 -3.26 116.57 115.62 1st7 h LYS 8 Ca 0.09 -0.25 -0.04 0.00 -1.87 0.00 0.00 60.65 58.58 1st7 h LYS 8 Cb 0.15 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1st7 h LYS 8 CO -0.19 1.06 0.03 0.00 -0.57 0.00 0.00 179.45 179.78 1st7 h ALA 9 N 0.84 0.37 0.00 3.86 0.00 -0.82 -1.75 119.26 121.77 1st7 h ALA 9 Ca -0.07 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1st7 h ALA 9 Cb 1.73 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.42 1st7 h ALA 9 CO 0.16 0.08 0.00 0.87 0.00 0.00 0.00 179.25 180.36 1st7 h LYS 10 N 0.28 0.00 0.42 0.00 1.57 -1.60 -1.13 116.57 116.12 1st7 h LYS 10 Ca 0.08 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1st7 h LYS 10 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1st7 h LYS 10 CO 0.01 0.00 -0.20 0.00 -0.57 0.00 0.00 179.45 178.69 1st7 h ALA 11 N 2.11 -0.57 -0.18 3.86 0.00 -1.45 -3.36 119.26 119.67 1st7 h ALA 11 Ca 0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1st7 h ALA 11 Cb 0.29 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1st7 h ALA 11 CO 0.00 -0.54 -0.12 -0.39 0.00 0.00 0.00 179.25 178.20 1st7 h VAL 12 N -1.12 1.18 0.00 0.00 -1.51 -0.58 0.64 116.25 114.86 1st7 h VAL 12 Ca -0.06 -0.81 0.00 0.00 -1.23 0.00 0.00 66.70 64.61 1st7 h VAL 12 Cb 0.47 1.18 0.00 0.00 -2.13 0.00 0.00 31.29 30.81 1st7 h VAL 12 CO 0.10 0.25 0.00 0.59 -1.23 0.00 0.00 177.57 177.28 1st7 n ASN 13 N -4.27 0.14 -0.63 4.19 3.02 -0.50 -3.32 115.26 113.90 1st7 n ASN 13 Ca -0.00 0.53 0.00 0.00 -0.03 0.00 0.00 54.58 55.08 1st7 n ASN 13 Cb 0.27 -0.56 0.00 0.00 -0.61 0.00 0.00 39.78 38.88 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 -1.65 0.00 -1.51 3.52 2.13 -0.52 -4.97 120.64 117.65 1st7 n GLU 14 Ca 0.04 -1.10 -0.31 0.00 0.66 0.00 0.00 57.16 56.45 1st7 n GLU 14 Cb 0.23 -0.42 0.06 0.00 0.27 0.00 0.00 31.44 31.58 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 0.00 3.09 0.46 4.31 2.96 0.10 -4.94 118.68 124.65 1st7 s LEU 15 Ca 0.04 1.64 0.26 0.00 -0.22 0.00 0.00 54.13 55.85 1st7 s LEU 15 Cb 0.05 -4.47 0.77 0.00 0.50 0.00 0.00 46.19 43.04 1st7 s LEU 15 CO -0.02 -1.59 1.76 1.55 -1.32 0.00 0.00 176.35 176.73 1st7 h PRO 16 N -0.82 0.00 -3.44 0.98 0.13 -1.82 -3.23 132.00 123.80 1st7 h PRO 16 Ca -0.44 0.00 -0.73 0.00 -0.87 0.00 0.00 66.00 63.96 1st7 h PRO 16 Cb 1.22 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 32.02 1st7 h PRO 16 CO 0.56 0.12 -0.00 0.99 -0.23 0.00 0.00 178.00 179.43 1st7 s THR 17 N -3.43 4.71 0.75 1.56 2.01 -1.25 -5.06 115.64 114.92 1st7 s THR 17 Ca 0.03 -3.55 -0.14 0.00 0.31 0.00 0.00 61.69 58.34 1st7 s THR 17 Cb 0.08 -3.91 0.05 0.00 0.01 0.00 0.00 72.50 68.73 1st7 s THR 17 CO 0.63 -1.08 1.18 -0.54 -0.69 0.00 0.00 174.62 174.13 1st7 s LYS 18 N -1.05 2.09 0.57 4.92 1.02 -1.22 -4.80 119.74 121.27 1st7 s LYS 18 Ca 0.26 1.65 -0.19 0.00 0.02 0.00 0.00 55.97 57.71 1st7 s LYS 18 Cb -0.10 -1.84 -0.04 0.00 -0.52 0.00 0.00 37.83 35.33 1st7 s LYS 18 CO -0.10 -1.85 1.17 -2.14 -0.92 0.00 0.00 175.35 171.51 1st7 s PRO 19 N -4.08 3.12 0.49 -1.68 0.02 -1.26 -4.99 135.00 126.62 1st7 s PRO 19 Ca 0.72 1.73 -0.16 0.00 0.02 0.00 0.00 61.00 63.30 1st7 s PRO 19 Cb -0.26 -1.96 -0.08 0.00 0.02 0.00 0.00 34.50 32.21 1st7 s PRO 19 CO 0.47 -1.06 0.96 -1.54 -0.33 0.00 0.00 177.00 175.50 1st7 s SER 20 N -1.69 6.65 0.17 2.53 1.04 -1.26 -4.88 113.70 116.26 1st7 s SER 20 Ca 0.75 1.54 0.03 0.00 0.48 0.00 0.00 55.95 58.75 1st7 s SER 20 Cb -0.27 -2.49 0.01 0.00 0.10 0.00 0.00 66.02 63.36 1st7 s SER 20 CO 0.31 -0.54 1.39 0.71 0.98 0.00 0.00 173.24 176.09 1st7 h THR 21 N 1.05 1.49 0.04 2.02 1.35 -1.98 0.19 112.91 117.07 1st7 h THR 21 Ca -0.47 -2.57 -0.24 0.00 -0.55 0.00 0.00 66.41 62.58 1st7 h THR 21 Cb 1.18 2.43 -0.02 0.00 -1.73 0.00 0.00 68.15 70.01 1st7 h THR 21 CO 0.62 0.75 -1.20 0.44 -0.25 0.00 0.00 175.52 175.88 1st7 h ASP 22 N 0.11 0.12 -0.28 5.36 5.19 -2.02 -3.22 116.42 121.69 1st7 h ASP 22 Ca -0.04 -0.14 -0.11 0.00 -0.62 0.00 0.00 57.03 56.12 1st7 h ASP 22 Cb 1.48 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 40.93 1st7 h ASP 22 CO 0.13 1.11 -0.21 -0.33 -3.12 0.00 0.00 179.24 176.83 1st7 h GLU 23 N 0.02 0.74 0.00 3.56 4.39 -1.92 -2.41 114.58 118.97 1st7 h GLU 23 Ca -0.09 -0.29 0.00 0.00 0.34 0.00 0.00 59.36 59.32 1st7 h GLU 23 Cb 1.87 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.48 1st7 h GLU 23 CO 0.14 0.89 0.25 -0.07 -1.16 0.00 0.00 179.01 179.06 1st7 h LEU 24 N 0.65 0.00 -0.27 1.33 3.38 -0.63 0.18 115.31 119.96 1st7 h LEU 24 Ca 0.09 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.87 1st7 h LEU 24 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1st7 h LEU 24 CO 0.05 0.00 -0.58 -0.07 0.09 0.00 0.00 178.44 177.93 1st7 h LEU 25 N 0.00 0.97 0.22 1.67 3.38 -1.50 0.15 115.31 120.20 1st7 h LEU 25 Ca 0.00 -0.55 -0.01 0.00 0.09 0.00 0.00 57.88 57.41 1st7 h LEU 25 Cb 0.51 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1st7 h LEU 25 CO 0.00 1.34 -0.11 -0.08 0.09 0.00 0.00 178.44 179.69 1st7 h GLU 26 N 0.64 -0.28 -0.36 1.13 4.81 -1.21 -3.12 114.58 116.19 1st7 h GLU 26 Ca 0.00 0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.15 1st7 h GLU 26 Cb 1.20 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.63 1st7 h GLU 26 CO 0.13 0.04 -0.21 -0.07 -0.73 0.00 0.00 179.01 178.16 1st7 h LEU 27 N -0.63 0.70 0.31 1.64 -0.00 -0.76 -2.49 115.31 114.07 1st7 h LEU 27 Ca -0.03 -0.24 -0.02 0.00 -0.00 0.00 0.00 57.88 57.59 1st7 h LEU 27 Cb 0.45 -0.19 0.00 0.00 -0.00 0.00 0.00 40.66 40.93 1st7 h LEU 27 CO 0.05 0.91 -0.15 0.22 -0.00 0.00 0.00 178.44 179.47 1st7 h TYR 28 N 0.61 -0.38 -0.84 1.13 5.03 -0.83 0.65 116.97 122.34 1st7 h TYR 28 Ca 0.09 -0.01 0.13 0.00 2.58 0.00 0.00 58.73 61.52 1st7 h TYR 28 Cb 0.70 0.13 -0.09 0.00 1.55 0.00 0.00 36.73 39.01 1st7 h TYR 28 CO 0.03 -0.16 0.45 0.00 -1.32 0.00 0.00 178.16 177.16 1st7 h ALA 29 N 0.12 1.25 0.04 1.82 0.00 -1.46 0.17 119.26 121.21 1st7 h ALA 29 Ca -0.04 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1st7 h ALA 29 Cb 0.40 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1st7 h ALA 29 CO 0.07 -0.03 -0.02 -0.07 0.00 0.00 0.00 179.25 179.20 1st7 h LEU 30 N 0.68 -0.05 -0.11 0.00 -0.00 -1.44 -0.64 115.31 113.75 1st7 h LEU 30 Ca 0.44 -0.53 0.03 0.00 -0.00 0.00 0.00 57.88 57.82 1st7 h LEU 30 Cb 0.56 0.01 -0.03 0.00 -0.00 0.00 0.00 40.66 41.20 1st7 h LEU 30 CO -0.32 0.53 -0.08 0.22 -0.00 0.00 0.00 178.44 178.79 1st7 h TYR 31 N -0.66 -0.19 -0.26 1.13 3.20 -0.53 -1.49 116.97 118.17 1st7 h TYR 31 Ca -0.01 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 1st7 h TYR 31 Cb 0.58 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 1st7 h TYR 31 CO 0.12 -0.12 0.01 0.87 -1.64 0.00 0.00 178.16 177.40 1st7 h LYS 32 N -0.09 0.38 0.61 1.82 1.79 -0.78 0.11 116.57 120.42 1st7 h LYS 32 Ca 0.07 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 1st7 h LYS 32 Cb 0.19 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.77 1st7 h LYS 32 CO -0.16 0.40 -0.43 1.96 -1.08 0.00 0.00 179.45 180.13 1st7 h GLN 33 N 0.37 -0.96 0.00 3.15 1.08 -0.49 -1.87 115.11 116.39 1st7 h GLN 33 Ca 0.09 0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.35 1st7 h GLN 33 Cb 0.24 0.22 0.00 0.00 -0.05 0.00 0.00 27.48 27.88 1st7 h GLN 33 CO 0.00 -0.64 0.00 0.00 -0.95 0.00 0.00 178.83 177.24 1st7 n ALA 34 N -2.68 2.30 -0.02 3.87 0.00 -0.62 -0.05 120.51 123.32 1st7 n ALA 34 Ca -0.12 -0.07 -0.13 0.00 0.00 0.00 0.00 53.44 53.12 1st7 n ALA 34 Cb 0.43 -1.47 -0.10 0.00 0.00 0.00 0.00 19.45 18.31 1st7 n ALA 34 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1st7 h THR 35 N 0.00 1.43 0.00 0.00 1.35 -0.81 -3.42 112.91 111.47 1st7 h THR 35 Ca 0.00 -1.42 0.00 0.00 -0.55 0.00 0.00 66.41 64.44 1st7 h THR 35 Cb 0.59 2.38 0.00 0.00 -1.73 0.00 0.00 68.15 69.39 1st7 h THR 35 CO 0.00 0.36 -0.17 0.58 -0.25 0.00 0.00 175.52 176.04 1st7 h VAL 36 N -0.64 0.00 0.00 6.82 2.07 -1.28 -3.49 116.25 119.73 1st7 h VAL 36 Ca -0.00 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1st7 h VAL 36 Cb 0.61 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1st7 h VAL 36 CO 0.00 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.20 1st7 n GLY 37 N 1.75 1.22 3.31 2.17 0.00 0.93 -5.06 105.19 109.51 1st7 n GLY 37 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.79 2.53 -0.50 1.61 1.01 -1.26 -4.47 116.67 113.80 1st7 s ASP 38 Ca 0.00 -0.81 -0.26 0.00 0.71 0.00 0.00 52.55 52.19 1st7 s ASP 38 Cb 0.00 -0.14 -0.06 0.00 1.01 0.00 0.00 42.92 43.74 1st7 s ASP 38 CO 0.00 -0.03 2.25 0.54 0.21 0.00 0.00 175.17 178.14 1st7 s ASN 39 N -2.44 4.72 0.00 0.27 4.22 -0.11 -4.84 114.94 116.76 1st7 s ASN 39 Ca 0.12 0.94 0.00 0.00 -2.14 0.00 0.00 52.86 51.78 1st7 s ASN 39 Cb -0.07 -2.51 0.00 0.00 1.28 0.00 0.00 41.25 39.95 1st7 s ASN 39 CO 0.05 -2.69 0.15 -0.67 -2.04 0.00 0.00 177.10 171.90 1st7 n ASP 40 N 14.82 0.00 -4.55 3.54 2.03 -1.26 -4.59 116.55 126.54 1st7 n ASP 40 Ca 0.32 0.41 -0.43 0.00 0.52 0.00 0.00 54.79 55.61 1st7 n ASP 40 Cb 0.54 -0.32 -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 -0.93 3.96 0.00 -0.67 -0.14 -1.26 -4.86 119.74 115.84 1st7 s LYS 41 Ca 0.00 -2.05 -0.02 0.00 -1.36 0.00 0.00 55.97 52.54 1st7 s LYS 41 Cb 0.00 -5.39 -0.08 0.00 -1.68 0.00 0.00 37.83 30.68 1st7 s LYS 41 CO 0.00 -2.12 2.22 -1.91 -0.76 0.00 0.00 175.35 172.78 1st7 n GLU 42 N 7.71 1.15 -2.86 1.68 2.13 -1.26 -4.03 120.64 125.17 1st7 n GLU 42 Ca 0.44 -0.30 -0.03 0.00 0.66 0.00 0.00 57.16 57.93 1st7 n GLU 42 Cb 0.46 -1.37 0.01 0.00 0.27 0.00 0.00 31.44 30.80 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 0.65 1.02 0.79 5.31 2.20 -1.26 -5.15 119.74 123.29 1st7 s LYS 43 Ca 0.20 -0.89 -0.11 0.00 -0.36 0.00 0.00 55.97 54.81 1st7 s LYS 43 Cb 0.10 -0.02 0.07 0.00 -1.51 0.00 0.00 37.83 36.47 1st7 s LYS 43 CO 0.00 -1.29 1.09 -1.25 -0.36 0.00 0.00 175.35 173.53 1st7 s PRO 44 N 1.09 2.12 0.00 4.03 0.04 -1.26 -5.01 135.00 136.01 1st7 s PRO 44 Ca 0.27 0.95 0.00 0.00 0.04 0.00 0.00 61.00 62.26 1st7 s PRO 44 Cb -0.01 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1st7 s PRO 44 CO -0.05 -1.68 0.00 0.41 0.04 0.00 0.00 177.00 175.72 1st7 n GLY 45 N -1.49 -1.47 0.15 0.56 0.00 -1.26 -4.96 105.19 96.71 1st7 n GLY 45 Ca 0.08 -1.60 -0.09 0.00 0.00 0.00 0.00 46.02 44.41 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 -1.85 0.70 0.59 -0.61 -5.35 -1.26 -4.23 119.36 107.35 1st7 n ILE 46 Ca 0.00 -0.25 0.12 0.00 -0.27 0.00 0.00 62.75 62.34 1st7 n ILE 46 Cb 0.00 -1.05 0.24 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 -2.97 0.38 -2.90 4.28 1.16 -1.26 -4.84 117.46 111.31 1st7 n PHE 47 Ca -0.22 -0.19 -0.42 0.00 -1.87 0.00 0.00 57.45 54.75 1st7 n PHE 47 Cb 0.72 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.54 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 -1.57 6.56 -0.08 5.98 3.84 -1.26 -4.88 114.94 123.53 1st7 s ASN 48 Ca 0.36 0.32 0.12 0.00 0.21 0.00 0.00 52.86 53.87 1st7 s ASN 48 Cb 0.21 -2.42 -0.24 0.00 -0.55 0.00 0.00 41.25 38.26 1st7 s ASN 48 CO 0.30 -0.83 0.52 0.23 -2.79 0.00 0.00 177.10 174.53 1st7 n MET 49 N 6.65 0.65 0.01 0.43 2.81 -1.26 -4.41 117.12 122.00 1st7 n MET 49 Ca 0.04 0.24 -0.21 0.00 -1.81 0.00 0.00 57.70 55.96 1st7 n MET 49 Cb 0.48 -1.73 -0.14 0.00 -0.71 0.00 0.00 33.22 31.12 1st7 n MET 49 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1st7 h LYS 50 N 0.00 0.24 -0.38 0.03 1.79 -1.99 -3.33 116.57 112.94 1st7 h LYS 50 Ca -0.35 -0.41 0.06 0.00 -2.18 0.00 0.00 60.65 57.77 1st7 h LYS 50 Cb 2.06 0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 32.84 1st7 h LYS 50 CO 0.07 1.20 0.26 -0.44 -1.08 0.00 0.00 179.45 179.45 1st7 h ASP 51 N -0.35 0.23 -0.98 0.86 5.19 -1.98 -0.87 116.42 118.51 1st7 h ASP 51 Ca -0.27 -0.00 0.18 0.00 -0.62 0.00 0.00 57.03 56.31 1st7 h ASP 51 Cb 1.71 -0.05 -0.09 0.00 0.18 0.00 0.00 39.33 41.08 1st7 h ASP 51 CO 0.06 0.15 0.61 0.03 -3.12 0.00 0.00 179.24 176.98 1st7 h ARG 52 N 0.26 0.72 -0.01 3.56 2.47 -1.77 0.91 114.38 120.52 1st7 h ARG 52 Ca 0.17 -0.04 -0.06 0.00 -1.26 0.00 0.00 59.98 58.78 1st7 h ARG 52 Cb 0.32 -0.16 0.00 0.00 -1.65 0.00 0.00 29.97 28.48 1st7 h ARG 52 CO -0.03 0.48 -0.22 1.88 0.56 0.00 0.00 179.97 182.63 1st7 h TYR 53 N 0.75 0.24 -0.19 3.04 0.05 -1.31 -2.94 116.97 116.60 1st7 h TYR 53 Ca 0.53 -0.13 0.05 0.00 0.05 0.00 0.00 58.73 59.24 1st7 h TYR 53 Cb 0.85 -0.03 -0.05 0.00 1.01 0.00 0.00 36.73 38.51 1st7 h TYR 53 CO -0.00 0.91 -0.15 0.87 -1.05 0.00 0.00 178.16 178.73 1st7 h LYS 54 N -0.49 -0.15 0.00 4.88 1.79 -1.23 -1.47 116.57 119.90 1st7 h LYS 54 Ca -0.03 0.01 -0.11 0.00 -2.18 0.00 0.00 60.65 58.35 1st7 h LYS 54 Cb 0.96 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.63 1st7 h LYS 54 CO 0.04 -0.10 -0.51 2.35 -1.08 0.00 0.00 179.45 180.15 1st7 h TRP 55 N -0.15 0.00 -0.43 -1.35 7.01 -0.95 -1.82 115.95 118.25 1st7 h TRP 55 Ca 0.12 0.00 -0.14 0.00 2.11 0.00 0.00 58.89 60.97 1st7 h TRP 55 Cb 0.33 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.38 1st7 h TRP 55 CO -0.29 0.51 -0.30 1.49 -2.79 0.00 0.00 178.44 177.06 1st7 h GLU 56 N 0.00 0.95 -0.47 2.65 4.81 -1.31 0.11 114.58 121.32 1st7 h GLU 56 Ca -0.01 -0.45 -0.06 0.00 -0.13 0.00 0.00 59.36 58.72 1st7 h GLU 56 Cb 0.97 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.32 1st7 h GLU 56 CO 0.07 1.11 0.06 0.00 -0.73 0.00 0.00 179.01 179.52 1st7 h ALA 57 N 0.85 1.23 -0.22 2.92 0.00 -1.03 -2.83 119.26 120.18 1st7 h ALA 57 Ca 0.09 -0.22 -0.21 0.00 0.00 0.00 0.00 54.91 54.57 1st7 h ALA 57 Cb 0.88 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.49 1st7 h ALA 57 CO 0.08 0.52 -0.68 2.35 0.00 0.00 0.00 179.25 181.53 1st7 h TRP 58 N 0.70 1.09 0.00 0.00 7.01 -1.07 -3.19 115.95 120.49 1st7 h TRP 58 Ca 0.15 -0.44 -0.01 0.00 2.11 0.00 0.00 58.89 60.70 1st7 h TRP 58 Cb 0.35 -0.19 -0.00 0.00 -2.10 0.00 0.00 29.16 27.22 1st7 h TRP 58 CO 0.02 1.27 -0.02 1.49 -2.79 0.00 0.00 178.44 178.41 1st7 h GLU 59 N 0.61 0.00 -0.53 2.65 4.22 -0.63 0.23 114.58 121.13 1st7 h GLU 59 Ca -0.02 0.00 -0.06 0.00 0.08 0.00 0.00 59.36 59.35 1st7 h GLU 59 Cb 1.30 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.52 1st7 h GLU 59 CO 0.14 0.02 0.07 -0.91 -2.18 0.00 0.00 179.01 176.16 1st7 h ASN 60 N 0.00 0.80 -0.28 1.04 2.35 -1.48 -3.17 115.58 114.83 1st7 h ASN 60 Ca -0.00 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 1st7 h ASN 60 Cb 0.15 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.31 1st7 h ASN 60 CO 0.00 0.82 0.00 0.18 -1.65 0.00 0.00 177.43 176.78 1st7 n LEU 61 N -4.24 2.47 -0.11 1.61 4.77 0.03 -4.86 117.00 116.67 1st7 n LEU 61 Ca 0.03 -1.07 0.11 0.00 -0.03 0.00 0.00 56.01 55.05 1st7 n LEU 61 Cb 0.27 -0.18 0.20 0.00 -2.33 0.00 0.00 43.42 41.37 1st7 n LEU 61 CO 0.41 0.53 0.35 2.29 -1.33 0.00 0.00 177.39 179.65 1st7 n LYS 62 N 0.85 -0.02 -1.03 3.23 0.00 -0.98 -1.94 118.16 118.27 1st7 n LYS 62 Ca 0.17 0.45 -0.07 0.00 -0.00 0.00 0.00 58.31 58.87 1st7 n LYS 62 Cb 0.45 -0.82 -0.06 0.00 -0.00 0.00 0.00 35.03 34.60 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 -1.09 0.50 0.92 2.58 0.00 -1.26 -0.93 105.19 105.90 1st7 n GLY 63 Ca 0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.05 0.05 -0.16 1.61 5.02 -0.82 -4.82 118.16 118.99 1st7 n LYS 64 Ca -0.26 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.05 1st7 n LYS 64 Cb 0.69 -0.51 0.00 0.00 -0.02 0.00 0.00 35.03 35.19 1st7 n LYS 64 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1st7 n SER 65 N -3.40 2.72 -0.14 4.39 7.64 -1.17 -1.75 113.62 121.90 1st7 n SER 65 Ca -0.01 -1.61 -0.12 0.00 1.01 0.00 0.00 58.87 58.13 1st7 n SER 65 Cb 0.05 -0.53 -0.01 0.00 -1.01 0.00 0.00 64.21 62.71 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 1.33 0.98 -0.20 1.43 -0.00 -1.85 0.21 115.11 117.00 1st7 h GLN 66 Ca 0.00 -0.46 -0.14 0.00 -0.00 0.00 0.00 58.65 58.05 1st7 h GLN 66 Cb 0.66 -0.01 -0.01 0.00 0.00 0.00 0.00 27.48 28.12 1st7 h GLN 66 CO 0.00 1.13 -0.46 1.05 0.00 0.00 0.00 178.83 180.56 1st7 h GLU 67 N 0.83 0.50 0.02 1.69 4.11 -1.73 -2.57 114.58 117.43 1st7 h GLU 67 Ca 0.09 -0.28 -0.06 0.00 0.07 0.00 0.00 59.36 59.19 1st7 h GLU 67 Cb 0.88 0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.15 1st7 h GLU 67 CO 0.08 0.86 -0.24 -0.44 0.07 0.00 0.00 179.01 179.34 1st7 h ASP 68 N 0.41 0.18 -0.61 3.06 3.32 -1.75 -3.39 116.42 117.63 1st7 h ASP 68 Ca 0.03 -0.87 0.06 0.00 0.02 0.00 0.00 57.03 56.27 1st7 h ASP 68 Cb 0.96 -0.06 -0.09 0.00 0.22 0.00 0.00 39.33 40.37 1st7 h ASP 68 CO 0.08 1.03 -0.48 0.00 -1.72 0.00 0.00 179.24 178.15 1st7 h ALA 69 N 0.15 -0.57 -0.25 3.45 0.00 -0.20 0.29 119.26 122.14 1st7 h ALA 69 Ca -0.04 0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.00 1st7 h ALA 69 Cb 1.08 1.20 -0.01 0.00 0.00 0.00 0.00 17.79 20.06 1st7 h ALA 69 CO 0.05 -0.86 0.40 1.05 0.00 0.00 0.00 179.25 179.89 1st7 h GLU 70 N -0.15 0.00 0.13 0.00 4.11 -1.71 0.15 114.58 117.11 1st7 h GLU 70 Ca 0.10 0.00 -0.35 0.00 0.07 0.00 0.00 59.36 59.18 1st7 h GLU 70 Cb 0.41 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1st7 h GLU 70 CO -0.65 0.00 -1.87 0.87 0.07 0.00 0.00 179.01 177.43 1st7 h LYS 71 N 0.00 0.27 -0.06 1.06 1.57 -1.13 0.00 116.57 118.29 1st7 h LYS 71 Ca 0.12 -0.46 -0.12 0.00 -1.87 0.00 0.00 60.65 58.32 1st7 h LYS 71 Cb 0.92 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 1st7 h LYS 71 CO -0.00 1.22 -0.49 0.93 -0.57 0.00 0.00 179.45 180.54 1st7 h GLU 72 N -0.02 0.15 -0.11 3.15 4.39 0.02 -3.36 114.58 118.80 1st7 h GLU 72 Ca -0.40 -0.08 -0.04 0.00 0.34 0.00 0.00 59.36 59.18 1st7 h GLU 72 Cb 1.98 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.63 1st7 h GLU 72 CO 0.08 0.61 -0.10 -0.92 -1.16 0.00 0.00 179.01 177.53 1st7 h TYR 73 N 0.12 0.30 -0.88 4.33 3.20 -0.93 -2.13 116.97 120.99 1st7 h TYR 73 Ca 0.00 -0.09 0.17 0.00 3.14 0.00 0.00 58.73 61.96 1st7 h TYR 73 Cb 0.91 -0.06 -0.16 0.00 1.54 0.00 0.00 36.73 38.95 1st7 h TYR 73 CO 0.01 0.66 -0.24 0.97 -1.64 0.00 0.00 178.16 177.92 1st7 h ILE 74 N -0.14 0.11 -0.31 1.81 2.10 -1.79 -0.60 117.51 118.69 1st7 h ILE 74 Ca 0.02 0.00 -0.09 0.00 1.08 0.00 0.00 64.86 65.87 1st7 h ILE 74 Cb 0.60 0.11 -0.01 0.00 -1.09 0.00 0.00 36.82 36.43 1st7 h ILE 74 CO 0.02 0.00 -0.17 0.00 -1.08 0.00 0.00 178.15 176.93 1st7 h ALA 75 N 1.79 0.44 -0.53 0.18 0.00 -1.65 -0.99 119.26 118.50 1st7 h ALA 75 Ca 0.41 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1st7 h ALA 75 Cb 0.64 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1st7 h ALA 75 CO -0.91 0.35 0.33 -0.07 0.00 0.00 0.00 179.25 178.95 1st7 h LEU 76 N 0.42 0.54 0.00 0.00 3.38 -0.90 -3.06 115.31 115.69 1st7 h LEU 76 Ca 0.07 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 1st7 h LEU 76 Cb 0.70 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 1st7 h LEU 76 CO 0.05 0.38 -0.69 0.58 0.09 0.00 0.00 178.44 178.85 1st7 h VAL 77 N 0.65 0.82 0.00 1.22 2.07 -1.10 -2.81 116.25 117.10 1st7 h VAL 77 Ca 0.21 -2.20 -0.07 0.00 0.82 0.00 0.00 66.70 65.45 1st7 h VAL 77 Cb -0.01 2.36 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 1st7 h VAL 77 CO -0.08 0.46 -0.34 -0.78 0.02 0.00 0.00 177.57 176.86 1st7 h ASP 78 N 0.00 0.00 0.30 0.57 1.82 -1.10 0.24 116.42 118.26 1st7 h ASP 78 Ca -0.03 0.00 -0.12 0.00 -0.39 0.00 0.00 57.03 56.49 1st7 h ASP 78 Cb 1.43 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.43 1st7 h ASP 78 CO 0.06 0.34 -0.49 1.56 -1.61 0.00 0.00 179.24 179.10 1st7 h GLN 79 N 0.00 0.22 0.29 0.28 4.20 -1.43 -2.19 115.11 116.48 1st7 h GLN 79 Ca -0.00 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 1st7 h GLN 79 Cb 0.61 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.40 1st7 h GLN 79 CO 0.04 0.66 -0.14 -0.07 -0.67 0.00 0.00 178.83 178.66 1st7 h LEU 80 N 0.18 -0.33 -1.49 1.46 3.38 -1.15 -3.33 115.31 114.03 1st7 h LEU 80 Ca 0.01 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1st7 h LEU 80 Cb 0.93 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 1st7 h LEU 80 CO 0.07 0.14 0.28 0.40 0.09 0.00 0.00 178.44 179.43 1st7 h ILE 81 N -0.96 1.13 -0.76 1.22 2.04 -0.59 0.15 117.51 119.75 1st7 h ILE 81 Ca -0.04 -0.29 0.15 0.00 1.00 0.00 0.00 64.86 65.68 1st7 h ILE 81 Cb 0.49 0.47 -0.05 0.00 -0.74 0.00 0.00 36.82 36.99 1st7 h ILE 81 CO 0.07 0.14 0.51 0.00 0.00 0.00 0.00 178.15 178.86 1st7 h ALA 82 N 1.67 2.08 0.11 1.87 0.00 -1.52 0.10 119.26 123.59 1st7 h ALA 82 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.75 1st7 h ALA 82 Cb -0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1st7 h ALA 82 CO -0.03 -0.29 -1.76 0.87 0.00 0.00 0.00 179.25 178.04 1st7 h LYS 83 N 0.44 0.24 0.00 0.00 1.79 -1.11 -3.44 116.57 114.50 1st7 h LYS 83 Ca 0.37 -0.41 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1st7 h LYS 83 Cb 0.82 0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.62 1st7 h LYS 83 CO -0.12 1.09 -0.99 0.66 -1.08 0.00 0.00 179.45 179.01 1st7 n TYR 84 N -3.42 0.00 -0.27 -1.35 4.01 0.34 -4.66 117.16 111.80 1st7 n TYR 84 Ca -0.23 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.46 1st7 n TYR 84 Cb 1.05 -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 1.03 -0.46 0.00 0.00 176.86 177.43 1st7 h SER 85 N 0.00 -1.35 0.00 7.72 0.87 -1.05 -3.31 113.55 116.43 1st7 h SER 85 Ca 0.00 0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 1st7 h SER 85 Cb 0.39 0.67 0.00 0.00 -0.44 0.00 0.00 62.40 63.02 1st7 h SER 85 CO 0.00 -0.30 0.00 -1.20 -0.53 0.00 0.00 176.83 174.80