#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 -1.94 0.26 113.55 111.47 1st7 h SER 2 Ca 0.00 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.43 1st7 h SER 2 Cb 0.00 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 61.97 1st7 h SER 2 CO 0.00 0.00 -0.55 -0.61 -0.53 0.00 0.00 176.83 175.14 1st7 h GLN 3 N 0.00 0.24 -0.57 2.24 4.15 -2.01 -3.26 115.11 115.91 1st7 h GLN 3 Ca 0.00 -0.36 -0.04 0.00 0.77 0.00 0.00 58.65 59.02 1st7 h GLN 3 Cb 0.65 0.13 -0.03 0.00 0.21 0.00 0.00 27.48 28.44 1st7 h GLN 3 CO 0.00 1.13 0.18 1.25 -1.93 0.00 0.00 178.83 179.46 1st7 h LEU 4 N -0.46 0.78 -0.86 -2.39 5.85 -1.93 -1.99 115.31 114.31 1st7 h LEU 4 Ca -0.09 -0.12 0.22 0.00 0.84 0.00 0.00 57.88 58.72 1st7 h LEU 4 Cb 1.38 -0.20 -0.15 0.00 0.37 0.00 0.00 40.66 42.06 1st7 h LEU 4 CO 0.10 0.74 0.06 0.15 -0.34 0.00 0.00 178.44 179.15 1st7 h PHE 5 N 0.82 0.03 0.20 1.25 3.57 -1.04 0.22 116.94 121.99 1st7 h PHE 5 Ca 0.19 0.06 -0.28 0.00 3.53 0.00 0.00 57.97 61.46 1st7 h PHE 5 Cb 0.24 0.13 0.03 0.00 2.79 0.00 0.00 35.95 39.13 1st7 h PHE 5 CO 0.01 -0.30 -1.28 0.93 -2.23 0.00 0.00 178.31 175.45 1st7 h GLU 6 N 0.10 0.42 -0.50 1.11 5.08 -1.42 0.45 114.58 119.81 1st7 h GLU 6 Ca 0.50 -0.72 0.06 0.00 -1.00 0.00 0.00 59.36 58.20 1st7 h GLU 6 Cb 0.96 0.27 -0.05 0.00 0.50 0.00 0.00 28.75 30.43 1st7 h GLU 6 CO -0.75 1.35 0.20 1.49 -1.00 0.00 0.00 179.01 180.30 1st7 h GLU 7 N -0.07 0.39 0.00 2.33 4.81 -0.89 -2.56 114.58 118.58 1st7 h GLU 7 Ca -0.23 -0.02 -0.22 0.00 -0.13 0.00 0.00 59.36 58.75 1st7 h GLU 7 Cb 1.95 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 31.21 1st7 h GLU 7 CO 0.21 0.26 -1.43 -0.22 -0.73 0.00 0.00 179.01 177.09 1st7 h LYS 8 N 0.40 0.00 -0.10 1.92 1.63 -0.67 -3.08 116.57 116.66 1st7 h LYS 8 Ca 0.24 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 60.01 1st7 h LYS 8 Cb 0.22 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.85 1st7 h LYS 8 CO -0.22 0.47 -0.02 0.00 -3.45 0.00 0.00 179.45 176.22 1st7 h ALA 9 N 1.20 0.14 0.00 5.00 0.00 -0.84 -0.85 119.26 123.91 1st7 h ALA 9 Ca -0.19 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1st7 h ALA 9 Cb 1.78 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.53 1st7 h ALA 9 CO 0.07 -0.13 0.00 0.87 0.00 0.00 0.00 179.25 180.07 1st7 h LYS 10 N -0.12 0.00 0.14 0.00 1.57 -1.63 -0.83 116.57 115.70 1st7 h LYS 10 Ca 0.03 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1st7 h LYS 10 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1st7 h LYS 10 CO 0.01 0.00 -0.07 0.00 -0.57 0.00 0.00 179.45 178.82 1st7 h ALA 11 N 2.15 -0.19 -0.15 3.86 0.00 -1.37 -3.28 119.26 120.28 1st7 h ALA 11 Ca 0.00 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 1st7 h ALA 11 Cb 0.28 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1st7 h ALA 11 CO 0.00 -0.27 -0.35 -0.39 0.00 0.00 0.00 179.25 178.24 1st7 h VAL 12 N -0.86 1.29 0.00 0.00 -1.51 -0.66 -0.87 116.25 113.64 1st7 h VAL 12 Ca -0.02 -1.40 0.00 0.00 -1.23 0.00 0.00 66.70 64.05 1st7 h VAL 12 Cb 0.53 1.57 0.00 0.00 -2.13 0.00 0.00 31.29 31.26 1st7 h VAL 12 CO 0.03 0.43 0.00 0.59 -1.23 0.00 0.00 177.57 177.39 1st7 n ASN 13 N -4.07 0.00 0.00 4.19 3.02 -0.36 -3.19 115.26 114.85 1st7 n ASN 13 Ca -0.01 -0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.52 1st7 n ASN 13 Cb 0.45 -0.31 0.00 0.00 -0.61 0.00 0.00 39.78 39.31 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 -1.31 -0.04 -1.74 3.52 4.07 -0.76 -4.96 120.64 119.43 1st7 n GLU 14 Ca 0.12 -0.70 -0.32 0.00 -0.06 0.00 0.00 57.16 56.20 1st7 n GLU 14 Cb 0.22 -0.97 0.04 0.00 -0.06 0.00 0.00 31.44 30.68 1st7 n GLU 14 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 1st7 s LEU 15 N -0.22 3.34 0.45 4.31 2.96 -0.40 -4.93 118.68 124.19 1st7 s LEU 15 Ca 0.00 1.89 0.25 0.00 -0.22 0.00 0.00 54.13 56.05 1st7 s LEU 15 Cb 0.00 -4.54 0.74 0.00 0.50 0.00 0.00 46.19 42.89 1st7 s LEU 15 CO 0.00 -1.55 1.75 1.55 -1.32 0.00 0.00 176.35 176.77 1st7 h PRO 16 N -0.11 0.00 -2.62 0.98 0.13 -1.86 -3.08 132.00 125.44 1st7 h PRO 16 Ca -0.46 0.00 -0.79 0.00 -0.87 0.00 0.00 66.00 63.88 1st7 h PRO 16 Cb 1.23 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.14 1st7 h PRO 16 CO 0.55 0.11 1.47 2.41 -0.23 0.00 0.00 178.00 182.31 1st7 n THR 17 N -3.18 5.54 -1.58 1.56 -1.04 -1.25 -5.01 114.28 109.32 1st7 n THR 17 Ca 0.02 -5.36 -0.41 0.00 -2.04 0.00 0.00 64.05 56.25 1st7 n THR 17 Cb 0.47 -1.88 0.01 0.00 -1.82 0.00 0.00 70.33 67.11 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 1.12 1.17 -1.75 -2.82 5.02 -1.17 -4.69 118.16 115.04 1st7 n LYS 18 Ca 0.46 0.42 -0.42 0.00 -2.02 0.00 0.00 58.31 56.75 1st7 n LYS 18 Cb 0.28 -1.94 -0.01 0.00 -0.02 0.00 0.00 35.03 33.34 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 0.18 2.63 -2.68 1.97 -0.02 -1.26 -4.94 135.00 130.87 1st7 n PRO 19 Ca 0.10 0.93 -0.35 0.00 -2.02 0.00 0.00 63.50 62.16 1st7 n PRO 19 Cb 0.39 -2.68 -0.05 0.00 -0.02 0.00 0.00 33.50 31.14 1st7 n PRO 19 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1st7 s SER 20 N 0.26 6.85 0.13 2.55 0.01 -1.26 -4.81 113.70 117.44 1st7 s SER 20 Ca 0.61 1.87 -0.17 0.00 1.31 0.00 0.00 55.95 59.57 1st7 s SER 20 Cb -0.50 -2.57 -0.01 0.00 0.21 0.00 0.00 66.02 63.15 1st7 s SER 20 CO 0.54 -0.42 1.72 0.00 0.41 0.00 0.00 173.24 175.49 1st7 h THR 21 N 2.07 1.16 0.00 1.44 1.03 -1.99 0.13 112.91 116.75 1st7 h THR 21 Ca -0.48 -0.44 -0.13 0.00 -0.01 0.00 0.00 66.41 65.35 1st7 h THR 21 Cb 1.20 0.77 -0.02 0.00 -1.07 0.00 0.00 68.15 69.04 1st7 h THR 21 CO 0.62 0.17 -0.62 0.44 -0.01 0.00 0.00 175.52 176.12 1st7 h ASP 22 N 0.46 0.00 0.03 0.00 3.32 -2.02 -3.30 116.42 114.91 1st7 h ASP 22 Ca 0.13 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.01 1st7 h ASP 22 Cb 0.10 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.66 1st7 h ASP 22 CO -0.02 0.62 -0.67 -0.33 -1.72 0.00 0.00 179.24 177.12 1st7 h GLU 23 N 0.00 0.39 -1.03 3.56 5.08 -1.81 -3.29 114.58 117.49 1st7 h GLU 23 Ca -0.01 -0.47 0.27 0.00 -1.00 0.00 0.00 59.36 58.16 1st7 h GLU 23 Cb 1.21 0.14 -0.12 0.00 0.50 0.00 0.00 28.75 30.48 1st7 h GLU 23 CO 0.08 1.14 0.63 1.25 -1.00 0.00 0.00 179.01 181.11 1st7 h LEU 24 N -0.15 0.57 -0.34 1.33 5.85 -0.84 0.05 115.31 121.77 1st7 h LEU 24 Ca -0.09 0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 1st7 h LEU 24 Cb 1.41 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.47 1st7 h LEU 24 CO 0.13 0.05 0.07 -0.07 -0.34 0.00 0.00 178.44 178.28 1st7 h LEU 25 N 0.47 0.53 -0.29 2.25 3.38 -1.64 0.39 115.31 120.39 1st7 h LEU 25 Ca 0.65 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 58.32 1st7 h LEU 25 Cb 1.44 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 1st7 h LEU 25 CO -0.44 0.64 -0.03 -0.08 0.09 0.00 0.00 178.44 178.62 1st7 h GLU 26 N 0.40 0.54 -0.74 1.13 4.57 -1.55 -3.10 114.58 115.84 1st7 h GLU 26 Ca 0.11 -0.19 -0.00 0.00 -1.18 0.00 0.00 59.36 58.10 1st7 h GLU 26 Cb 0.33 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.84 1st7 h GLU 26 CO 0.00 0.71 0.45 1.25 -1.18 0.00 0.00 179.01 180.24 1st7 h LEU 27 N 0.31 0.88 -0.25 1.64 7.12 -0.92 -2.74 115.31 121.35 1st7 h LEU 27 Ca 0.08 -0.06 0.06 0.00 0.13 0.00 0.00 57.88 58.09 1st7 h LEU 27 Cb 0.49 -0.22 -0.08 0.00 -0.53 0.00 0.00 40.66 40.32 1st7 h LEU 27 CO 0.02 0.68 -0.36 0.22 -0.13 0.00 0.00 178.44 178.87 1st7 h TYR 28 N 1.01 -1.00 -0.56 1.25 5.03 -0.25 0.13 116.97 122.57 1st7 h TYR 28 Ca 0.27 0.05 0.11 0.00 2.58 0.00 0.00 58.73 61.74 1st7 h TYR 28 Cb -0.05 0.48 -0.11 0.00 1.55 0.00 0.00 36.73 38.60 1st7 h TYR 28 CO -0.01 -0.41 -0.16 0.00 -1.32 0.00 0.00 178.16 176.26 1st7 h ALA 29 N 0.47 0.34 0.08 1.82 0.00 -1.40 0.10 119.26 120.67 1st7 h ALA 29 Ca 0.12 0.22 -0.28 0.00 0.00 0.00 0.00 54.91 54.97 1st7 h ALA 29 Cb 0.56 0.45 0.02 0.00 0.00 0.00 0.00 17.79 18.83 1st7 h ALA 29 CO -0.45 -0.45 -1.17 -0.07 0.00 0.00 0.00 179.25 177.11 1st7 h LEU 30 N -0.02 0.78 0.60 0.00 -0.00 -1.42 -1.25 115.31 114.01 1st7 h LEU 30 Ca 0.27 -0.70 -0.03 0.00 -0.00 0.00 0.00 57.88 57.42 1st7 h LEU 30 Cb 0.43 -0.25 0.01 0.00 -0.00 0.00 0.00 40.66 40.85 1st7 h LEU 30 CO -0.59 1.51 -0.29 0.22 -0.00 0.00 0.00 178.44 179.29 1st7 h TYR 31 N 0.27 -0.75 -1.00 1.13 3.20 -0.50 -2.37 116.97 116.95 1st7 h TYR 31 Ca -0.16 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.75 1st7 h TYR 31 Cb 1.83 0.25 -0.06 0.00 1.54 0.00 0.00 36.73 40.29 1st7 h TYR 31 CO 0.10 -0.44 0.65 0.87 -1.64 0.00 0.00 178.16 177.69 1st7 h LYS 32 N -0.87 1.16 -0.32 1.82 1.79 -0.90 -0.52 116.57 118.73 1st7 h LYS 32 Ca -0.08 -0.07 0.04 0.00 -2.18 0.00 0.00 60.65 58.36 1st7 h LYS 32 Cb 0.64 -0.26 -0.07 0.00 -1.58 0.00 0.00 32.23 30.96 1st7 h LYS 32 CO 0.14 0.77 -0.47 1.96 -1.08 0.00 0.00 179.45 180.76 1st7 h GLN 33 N 1.20 -0.34 0.00 3.15 4.20 -1.10 -2.38 115.11 119.83 1st7 h GLN 33 Ca 0.42 0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.16 1st7 h GLN 33 Cb 0.12 0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.98 1st7 h GLN 33 CO -0.16 -0.23 -0.40 0.00 -0.67 0.00 0.00 178.83 177.37 1st7 n ALA 34 N -3.01 2.71 0.52 3.87 0.00 -0.90 -0.48 120.51 123.21 1st7 n ALA 34 Ca -0.03 -0.17 -0.20 0.00 0.00 0.00 0.00 53.44 53.03 1st7 n ALA 34 Cb 0.29 -1.28 -0.10 0.00 0.00 0.00 0.00 19.45 18.37 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 0.00 0.05 0.00 2.02 -0.88 -3.37 112.91 110.73 1st7 h THR 35 Ca 0.00 -0.01 -0.22 0.00 0.77 0.00 0.00 66.41 66.95 1st7 h THR 35 Cb 0.73 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 1st7 h THR 35 CO 0.00 0.00 -1.17 1.62 0.37 0.00 0.00 175.52 176.34 1st7 h VAL 36 N -1.33 1.07 0.00 3.16 3.04 -1.53 -3.49 116.25 117.17 1st7 h VAL 36 Ca -0.13 -2.29 0.00 0.00 -1.01 0.00 0.00 66.70 63.26 1st7 h VAL 36 Cb 1.01 2.59 0.00 0.00 -2.01 0.00 0.00 31.29 32.88 1st7 h VAL 36 CO 0.22 0.53 0.00 0.61 -1.01 0.00 0.00 177.57 177.92 1st7 n GLY 37 N 1.60 0.84 3.33 3.17 0.00 0.37 -5.03 105.19 109.47 1st7 n GLY 37 Ca -0.26 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.22 0.08 -0.98 1.61 1.01 -1.25 -4.32 116.67 110.59 1st7 s ASP 38 Ca 0.00 -1.17 -0.24 0.00 0.71 0.00 0.00 52.55 51.85 1st7 s ASP 38 Cb 0.00 0.44 -0.02 0.00 1.01 0.00 0.00 42.92 44.35 1st7 s ASP 38 CO 0.00 -0.93 1.80 0.54 0.21 0.00 0.00 175.17 176.79 1st7 s ASN 39 N -3.09 5.57 0.00 0.27 4.22 -0.51 -4.69 114.94 116.71 1st7 s ASN 39 Ca 0.30 -1.06 0.00 0.00 -2.14 0.00 0.00 52.86 49.96 1st7 s ASN 39 Cb 0.04 -2.57 0.00 0.00 1.28 0.00 0.00 41.25 40.01 1st7 s ASN 39 CO 0.09 -2.38 0.26 -0.67 -2.04 0.00 0.00 177.10 172.36 1st7 n ASP 40 N 12.42 0.00 -4.50 3.54 2.03 -1.26 -4.77 116.55 124.01 1st7 n ASP 40 Ca 0.39 0.40 -0.44 0.00 0.52 0.00 0.00 54.79 55.67 1st7 n ASP 40 Cb 0.48 -0.22 -0.00 0.00 -0.72 0.00 0.00 41.12 40.65 1st7 n ASP 40 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1st7 s LYS 41 N -0.96 4.00 -0.04 -0.67 2.20 -1.26 -4.78 119.74 118.22 1st7 s LYS 41 Ca 0.00 -2.28 -0.00 0.00 -0.36 0.00 0.00 55.97 53.33 1st7 s LYS 41 Cb 0.00 -5.20 0.04 0.00 -1.51 0.00 0.00 37.83 31.16 1st7 s LYS 41 CO 0.00 -1.93 1.70 -1.91 -0.36 0.00 0.00 175.35 172.86 1st7 n GLU 42 N 6.66 1.11 -3.39 4.03 2.13 -1.26 -3.89 120.64 126.03 1st7 n GLU 42 Ca 0.39 -0.23 -0.26 0.00 0.66 0.00 0.00 57.16 57.72 1st7 n GLU 42 Cb 0.45 -1.09 -0.08 0.00 0.27 0.00 0.00 31.44 30.98 1st7 n GLU 42 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1st7 n LYS 43 N 1.02 1.81 0.00 5.31 4.01 -1.26 -5.11 118.16 123.95 1st7 n LYS 43 Ca 0.04 -4.15 0.00 0.00 -0.51 0.00 0.00 58.31 53.70 1st7 n LYS 43 Cb 0.54 -1.91 0.00 0.00 -0.51 0.00 0.00 35.03 33.14 1st7 n LYS 43 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 1st7 n PRO 44 N 1.20 1.63 -1.46 1.97 -0.04 -1.25 -5.08 135.00 131.97 1st7 n PRO 44 Ca 0.26 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.47 1st7 n PRO 44 Cb 0.45 0.00 0.19 0.00 -0.04 0.00 0.00 33.50 34.09 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 5.00 -1.79 0.31 0.55 0.00 -1.26 -5.03 105.19 102.96 1st7 n GLY 45 Ca 0.00 -1.65 -0.20 0.00 0.00 0.00 0.00 46.02 44.17 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 -3.85 1.12 -1.43 -0.61 -5.35 -1.26 -4.55 119.36 103.43 1st7 n ILE 46 Ca 0.14 -0.32 -0.19 0.00 -0.27 0.00 0.00 62.75 62.11 1st7 n ILE 46 Cb 0.51 -1.65 0.15 0.00 -1.74 0.00 0.00 39.64 36.91 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 -3.73 2.37 -2.95 4.28 1.16 -1.26 -5.02 117.46 112.31 1st7 n PHE 47 Ca -0.39 -2.07 -0.35 0.00 -1.87 0.00 0.00 57.45 52.77 1st7 n PHE 47 Cb 0.80 -0.83 -0.06 0.00 -1.61 0.00 0.00 39.48 37.78 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 -2.13 7.09 -0.21 5.98 3.84 -1.26 -4.96 114.94 123.29 1st7 s ASN 48 Ca 0.54 1.59 0.08 0.00 0.21 0.00 0.00 52.86 55.28 1st7 s ASN 48 Cb 0.45 -2.49 -0.21 0.00 -0.55 0.00 0.00 41.25 38.45 1st7 s ASN 48 CO 0.03 -0.11 -0.02 0.80 -2.79 0.00 0.00 177.10 175.02 1st7 n MET 49 N 0.24 0.67 0.09 0.43 0.00 -1.26 -4.59 117.12 112.71 1st7 n MET 49 Ca 0.02 0.11 -0.06 0.00 -0.00 0.00 0.00 57.70 57.77 1st7 n MET 49 Cb 0.52 -1.55 0.06 0.00 0.00 0.00 0.00 33.22 32.25 1st7 n MET 49 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 175.97 176.84 1st7 h LYS 50 N 0.01 0.15 -0.47 2.12 1.57 -2.01 -3.13 116.57 114.80 1st7 h LYS 50 Ca -0.54 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.09 1st7 h LYS 50 Cb 2.05 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 34.37 1st7 h LYS 50 CO -0.02 0.82 0.22 0.38 -0.57 0.00 0.00 179.45 180.29 1st7 h ASP 51 N 0.09 0.58 0.01 0.86 3.04 -1.98 0.48 116.42 119.51 1st7 h ASP 51 Ca -0.02 -0.05 -0.00 0.00 -3.24 0.00 0.00 57.03 53.72 1st7 h ASP 51 Cb 1.32 -0.15 -0.00 0.00 -1.04 0.00 0.00 39.33 39.46 1st7 h ASP 51 CO 0.11 0.50 -0.00 0.03 -2.04 0.00 0.00 179.24 177.84 1st7 h ARG 52 N 0.65 0.00 0.00 4.15 2.47 -1.79 0.22 114.38 120.08 1st7 h ARG 52 Ca 0.16 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.85 1st7 h ARG 52 Cb 0.07 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.39 1st7 h ARG 52 CO -0.02 0.00 -0.68 0.66 0.56 0.00 0.00 179.97 180.49 1st7 n TYR 53 N -3.24 0.83 0.23 3.04 4.01 -0.51 -4.53 117.16 116.98 1st7 n TYR 53 Ca -0.03 0.36 -0.16 0.00 -0.16 0.00 0.00 57.90 57.91 1st7 n TYR 53 Cb 0.07 -0.78 -0.08 0.00 -0.31 0.00 0.00 39.34 38.24 1st7 n TYR 53 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1st7 h LYS 54 N -1.00 -0.80 0.00 -0.72 1.57 -0.65 -2.05 116.57 112.92 1st7 h LYS 54 Ca -0.05 0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 1st7 h LYS 54 Cb 0.67 0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.14 1st7 h LYS 54 CO -0.03 -0.53 -0.67 2.35 -0.57 0.00 0.00 179.45 180.00 1st7 h TRP 55 N -0.83 0.00 -0.10 -1.35 7.01 -0.81 -1.13 115.95 118.74 1st7 h TRP 55 Ca -0.03 0.00 -0.18 0.00 2.11 0.00 0.00 58.89 60.79 1st7 h TRP 55 Cb 0.75 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.81 1st7 h TRP 55 CO -0.25 0.67 -0.70 1.05 -2.79 0.00 0.00 178.44 176.41 1st7 h GLU 56 N 0.00 0.47 0.00 2.65 -0.00 -1.61 0.38 114.58 116.47 1st7 h GLU 56 Ca -0.01 -0.37 -0.07 0.00 -0.00 0.00 0.00 59.36 58.92 1st7 h GLU 56 Cb 1.44 0.07 -0.01 0.00 -0.00 0.00 0.00 28.75 30.25 1st7 h GLU 56 CO 0.09 0.99 -0.31 0.00 -0.00 0.00 0.00 179.01 179.78 1st7 h ALA 57 N 0.91 1.41 0.06 1.06 0.00 -1.12 -1.91 119.26 119.67 1st7 h ALA 57 Ca -0.03 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1st7 h ALA 57 Cb 1.28 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1st7 h ALA 57 CO 0.13 0.39 -0.03 2.35 0.00 0.00 0.00 179.25 182.08 1st7 h TRP 58 N 0.00 -0.08 -0.42 0.00 7.01 -0.96 -3.31 115.95 118.19 1st7 h TRP 58 Ca -0.00 -0.00 0.12 0.00 2.11 0.00 0.00 58.89 61.12 1st7 h TRP 58 Cb 0.58 0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 27.65 1st7 h TRP 58 CO 0.00 0.51 0.31 1.49 -2.79 0.00 0.00 178.44 177.96 1st7 h GLU 59 N -0.87 0.00 -0.96 2.65 4.81 -0.92 0.27 114.58 119.56 1st7 h GLU 59 Ca -0.01 0.00 0.12 0.00 -0.13 0.00 0.00 59.36 59.34 1st7 h GLU 59 Cb 0.62 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.92 1st7 h GLU 59 CO 0.01 0.00 0.59 -0.97 -0.73 0.00 0.00 179.01 177.91 1st7 h ASN 60 N 0.00 0.85 -1.46 1.04 -1.24 -1.43 -2.44 115.58 110.90 1st7 h ASN 60 Ca 0.20 0.05 -0.67 0.00 0.71 0.00 0.00 56.30 56.59 1st7 h ASN 60 Cb 0.82 -0.11 -0.34 0.00 0.73 0.00 0.00 38.32 39.41 1st7 h ASN 60 CO -0.00 0.45 0.25 0.18 -1.29 0.00 0.00 177.43 177.01 1st7 n LEU 61 N -4.67 6.40 -0.12 0.34 4.32 0.08 -4.89 117.00 118.47 1st7 n LEU 61 Ca 0.18 -4.81 0.05 0.00 -0.02 0.00 0.00 56.01 51.41 1st7 n LEU 61 Cb 0.35 -0.77 0.10 0.00 -1.62 0.00 0.00 43.42 41.47 1st7 n LEU 61 CO 0.27 1.88 0.27 2.29 -1.22 0.00 0.00 177.39 180.88 1st7 n LYS 62 N -0.63 -0.03 0.00 3.23 0.00 -0.92 -3.62 118.16 116.19 1st7 n LYS 62 Ca 0.50 0.53 0.00 0.00 -0.00 0.00 0.00 58.31 59.35 1st7 n LYS 62 Cb 0.56 -0.84 0.00 0.00 -0.00 0.00 0.00 35.03 34.75 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 -1.18 0.36 1.10 2.58 0.00 -1.26 -1.43 105.19 105.35 1st7 n GLY 63 Ca 0.08 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.01 2.94 -0.26 1.61 3.00 -1.26 -4.73 118.16 119.45 1st7 n LYS 64 Ca 0.00 -2.48 0.05 0.00 -0.00 0.00 0.00 58.31 55.88 1st7 n LYS 64 Cb 0.00 -1.52 0.15 0.00 0.00 0.00 0.00 35.03 33.67 1st7 n LYS 64 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.40 178.17 1st7 h SER 65 N 3.31 -0.39 1.24 3.14 0.02 -1.77 -1.46 113.55 117.66 1st7 h SER 65 Ca 0.00 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1st7 h SER 65 Cb 0.98 0.36 0.00 0.00 0.14 0.00 0.00 62.40 63.88 1st7 h SER 65 CO 0.04 -0.19 0.00 1.56 -1.14 0.00 0.00 176.83 177.10 1st7 h GLN 66 N 0.09 0.00 0.08 3.45 4.20 -1.75 -0.44 115.11 120.73 1st7 h GLN 66 Ca 0.41 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.76 1st7 h GLN 66 Cb 0.72 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.46 1st7 h GLN 66 CO -0.68 0.00 -2.12 0.39 -0.67 0.00 0.00 178.83 175.74 1st7 n GLU 67 N -2.61 0.72 0.04 1.46 1.02 -0.63 -4.39 120.64 116.24 1st7 n GLU 67 Ca 0.03 0.22 -0.22 0.00 -0.02 0.00 0.00 57.16 57.17 1st7 n GLU 67 Cb 0.36 -1.66 -0.14 0.00 -0.02 0.00 0.00 31.44 29.98 1st7 n GLU 67 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1st7 h ASP 68 N 0.04 0.51 0.40 1.62 5.19 -1.29 -3.39 116.42 119.50 1st7 h ASP 68 Ca -0.46 -0.94 -0.01 0.00 -0.62 0.00 0.00 57.03 55.00 1st7 h ASP 68 Cb 2.01 -0.17 -0.03 0.00 0.18 0.00 0.00 39.33 41.32 1st7 h ASP 68 CO 0.04 1.82 -0.45 0.00 -3.12 0.00 0.00 179.24 177.53 1st7 h ALA 69 N 0.08 -0.97 -1.28 3.45 0.00 -1.31 -2.29 119.26 116.94 1st7 h ALA 69 Ca -0.38 -0.15 0.37 0.00 0.00 0.00 0.00 54.91 54.75 1st7 h ALA 69 Cb 2.05 0.66 -0.05 0.00 0.00 0.00 0.00 17.79 20.45 1st7 h ALA 69 CO 0.13 -1.09 1.11 1.05 0.00 0.00 0.00 179.25 180.45 1st7 h GLU 70 N -0.87 0.00 0.14 0.00 4.11 -1.77 0.25 114.58 116.44 1st7 h GLU 70 Ca -0.04 0.00 -0.36 0.00 0.07 0.00 0.00 59.36 59.04 1st7 h GLU 70 Cb 0.79 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 1st7 h GLU 70 CO -0.09 0.00 -1.90 0.87 0.07 0.00 0.00 179.01 177.96 1st7 h LYS 71 N 0.00 0.30 0.00 1.06 6.56 -1.61 0.73 116.57 123.61 1st7 h LYS 71 Ca 0.61 -0.52 -0.03 0.00 -1.06 0.00 0.00 60.65 59.65 1st7 h LYS 71 Cb 2.82 0.19 -0.00 0.00 -0.57 0.00 0.00 32.23 34.67 1st7 h LYS 71 CO -0.01 1.23 -0.16 0.93 -2.06 0.00 0.00 179.45 179.38 1st7 h GLU 72 N 0.08 0.00 0.14 3.15 4.39 -0.92 -3.39 114.58 118.03 1st7 h GLU 72 Ca -0.39 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.30 1st7 h GLU 72 Cb 2.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.71 1st7 h GLU 72 CO 0.12 0.16 -0.07 -0.92 -1.16 0.00 0.00 179.01 177.15 1st7 h TYR 73 N 0.00 -0.17 -0.99 4.33 3.20 -0.68 -1.68 116.97 120.98 1st7 h TYR 73 Ca -0.00 -0.00 0.19 0.00 3.14 0.00 0.00 58.73 62.06 1st7 h TYR 73 Cb 1.05 0.06 -0.18 0.00 1.54 0.00 0.00 36.73 39.19 1st7 h TYR 73 CO 0.00 0.21 -0.27 0.97 -1.64 0.00 0.00 178.16 177.44 1st7 h ILE 74 N -0.60 0.01 -0.00 1.81 2.10 -1.75 0.78 117.51 119.86 1st7 h ILE 74 Ca -0.02 0.00 -0.14 0.00 1.08 0.00 0.00 64.86 65.78 1st7 h ILE 74 Cb 0.46 0.01 -0.02 0.00 -1.09 0.00 0.00 36.82 36.18 1st7 h ILE 74 CO 0.03 0.00 -0.67 0.00 -1.08 0.00 0.00 178.15 176.43 1st7 h ALA 75 N 1.90 0.89 0.23 0.18 0.00 -1.67 -0.96 119.26 119.83 1st7 h ALA 75 Ca 0.46 -0.61 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1st7 h ALA 75 Cb 0.70 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1st7 h ALA 75 CO -1.01 0.83 -0.11 -0.07 0.00 0.00 0.00 179.25 178.89 1st7 h LEU 76 N 0.01 -0.26 -0.69 0.00 3.38 -0.67 -3.31 115.31 113.77 1st7 h LEU 76 Ca -0.01 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.66 1st7 h LEU 76 Cb 1.18 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 1st7 h LEU 76 CO 0.09 0.12 -0.35 0.58 0.09 0.00 0.00 178.44 178.97 1st7 h VAL 77 N -0.67 0.73 -0.04 1.22 2.07 -0.81 -1.30 116.25 117.46 1st7 h VAL 77 Ca -0.03 -1.57 -0.06 0.00 0.82 0.00 0.00 66.70 65.85 1st7 h VAL 77 Cb 0.47 2.02 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 1st7 h VAL 77 CO 0.05 0.34 -0.26 -0.78 0.02 0.00 0.00 177.57 176.94 1st7 h ASP 78 N 0.00 0.06 1.10 0.57 3.58 -1.31 0.31 116.42 120.73 1st7 h ASP 78 Ca -0.00 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.43 1st7 h ASP 78 Cb 0.99 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.03 1st7 h ASP 78 CO 0.05 0.33 -0.24 0.00 -2.88 0.00 0.00 179.24 176.50 1st7 n GLN 79 N -4.20 0.19 0.00 0.28 6.02 -0.56 -1.50 117.38 117.61 1st7 n GLN 79 Ca -0.02 0.11 -0.01 0.00 -0.01 0.00 0.00 57.00 57.07 1st7 n GLN 79 Cb 0.33 -1.68 -0.01 0.00 1.02 0.00 0.00 30.24 29.90 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 -0.07 -1.03 1.08 4.07 -0.74 -3.38 115.31 115.24 1st7 h LEU 80 Ca 0.00 0.00 0.20 0.00 0.08 0.00 0.00 57.88 58.16 1st7 h LEU 80 Cb 0.67 0.02 -0.11 0.00 1.08 0.00 0.00 40.66 42.32 1st7 h LEU 80 CO 0.00 0.26 0.61 0.40 -1.08 0.00 0.00 178.44 178.63 1st7 h ILE 81 N -0.69 0.68 -0.65 1.22 1.08 -0.44 0.47 117.51 119.18 1st7 h ILE 81 Ca -0.01 -0.25 0.10 0.00 -0.39 0.00 0.00 64.86 64.31 1st7 h ILE 81 Cb 0.06 -0.11 -0.04 0.00 -3.07 0.00 0.00 36.82 33.66 1st7 h ILE 81 CO 0.01 0.13 0.43 0.00 -0.69 0.00 0.00 178.15 178.04 1st7 h ALA 82 N 1.66 1.98 0.14 1.87 0.00 -1.48 0.71 119.26 124.14 1st7 h ALA 82 Ca 0.59 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 55.14 1st7 h ALA 82 Cb 0.96 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1st7 h ALA 82 CO -0.39 -0.12 -1.82 0.87 0.00 0.00 0.00 179.25 177.79 1st7 h LYS 83 N 0.47 0.30 0.01 0.00 6.56 -1.02 -3.44 116.57 119.45 1st7 h LYS 83 Ca 0.30 -0.51 -0.31 0.00 -1.06 0.00 0.00 60.65 59.07 1st7 h LYS 83 Cb 0.55 0.19 -0.05 0.00 -0.57 0.00 0.00 32.23 32.35 1st7 h LYS 83 CO -0.09 1.19 -1.84 0.66 -2.06 0.00 0.00 179.45 177.31 1st7 n TYR 84 N -3.49 0.85 -0.29 -1.35 4.02 0.14 -4.52 117.16 112.52 1st7 n TYR 84 Ca -0.26 0.30 -0.02 0.00 -0.01 0.00 0.00 57.90 57.91 1st7 n TYR 84 Cb 1.06 -1.15 0.02 0.00 -0.02 0.00 0.00 39.34 39.24 1st7 n TYR 84 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1st7 n SER 85 N -3.03 -0.52 0.00 7.72 3.41 0.17 -3.86 113.62 117.51 1st7 n SER 85 Ca -0.21 1.31 0.00 0.00 -0.26 0.00 0.00 58.87 59.72 1st7 n SER 85 Cb 1.07 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.73 1st7 n SER 85 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64