#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 -0.66 6.55 0.87 -1.95 -3.10 113.55 115.27 1st7 h SER 2 Ca 0.00 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.57 1st7 h SER 2 Cb 0.00 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 61.92 1st7 h SER 2 CO 0.00 0.18 0.43 -0.61 -0.53 0.00 0.00 176.83 176.30 1st7 h GLN 3 N 0.00 0.85 -0.53 2.24 4.15 -2.00 -1.88 115.11 117.94 1st7 h GLN 3 Ca -0.00 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.32 1st7 h GLN 3 Cb 0.33 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.80 1st7 h GLN 3 CO 0.02 0.56 0.14 1.25 -1.93 0.00 0.00 178.83 178.87 1st7 h LEU 4 N 0.87 0.80 -1.14 -2.39 5.85 -1.95 -2.38 115.31 114.96 1st7 h LEU 4 Ca 0.25 -0.23 0.20 0.00 0.84 0.00 0.00 57.88 58.95 1st7 h LEU 4 Cb -0.07 -0.21 -0.10 0.00 0.37 0.00 0.00 40.66 40.65 1st7 h LEU 4 CO -0.07 0.81 0.62 0.15 -0.34 0.00 0.00 178.44 179.61 1st7 h PHE 5 N 0.74 0.92 -0.03 1.25 3.04 -1.40 1.00 116.94 122.46 1st7 h PHE 5 Ca 0.17 0.03 -0.05 0.00 3.98 0.00 0.00 57.97 62.10 1st7 h PHE 5 Cb 0.32 -0.28 0.00 0.00 2.56 0.00 0.00 35.95 38.56 1st7 h PHE 5 CO 0.02 0.19 -0.17 0.93 -2.02 0.00 0.00 178.31 177.26 1st7 h GLU 6 N 0.65 0.18 -0.90 1.11 5.08 -0.95 0.21 114.58 119.96 1st7 h GLU 6 Ca 0.56 -0.14 0.10 0.00 -1.00 0.00 0.00 59.36 58.88 1st7 h GLU 6 Cb 1.03 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 30.23 1st7 h GLU 6 CO -0.34 0.80 0.54 1.49 -1.00 0.00 0.00 179.01 180.50 1st7 h GLU 7 N -0.41 0.85 0.03 2.33 4.81 -0.84 -1.86 114.58 119.50 1st7 h GLU 7 Ca -0.01 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 59.03 1st7 h GLU 7 Cb 0.83 -0.19 0.01 0.00 0.63 0.00 0.00 28.75 30.03 1st7 h GLU 7 CO 0.04 0.56 -0.54 0.87 -0.73 0.00 0.00 179.01 179.21 1st7 h LYS 8 N 0.88 0.31 -0.33 1.92 1.79 -0.89 -3.34 116.57 116.90 1st7 h LYS 8 Ca 0.44 -0.38 -0.14 0.00 -2.18 0.00 0.00 60.65 58.39 1st7 h LYS 8 Cb 0.41 0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 31.17 1st7 h LYS 8 CO -0.25 1.09 -0.35 0.00 -1.08 0.00 0.00 179.45 178.85 1st7 h ALA 9 N 0.24 0.49 0.00 3.86 0.00 -0.11 -1.45 119.26 122.28 1st7 h ALA 9 Ca -0.08 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1st7 h ALA 9 Cb 1.31 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1st7 h ALA 9 CO 0.11 0.57 0.00 0.87 0.00 0.00 0.00 179.25 180.79 1st7 h LYS 10 N 0.61 0.00 0.02 0.00 1.79 -1.56 -1.40 116.57 116.03 1st7 h LYS 10 Ca 0.05 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.52 1st7 h LYS 10 Cb 0.94 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.59 1st7 h LYS 10 CO 0.09 0.00 -0.01 0.00 -1.08 0.00 0.00 179.45 178.45 1st7 h ALA 11 N 2.13 -0.02 0.00 3.86 0.00 -1.52 -3.39 119.26 120.31 1st7 h ALA 11 Ca 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1st7 h ALA 11 Cb 0.23 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1st7 h ALA 11 CO 0.00 -0.03 -0.07 -0.39 0.00 0.00 0.00 179.25 178.77 1st7 h VAL 12 N -1.00 0.48 0.00 0.00 -1.51 -0.64 0.14 116.25 113.72 1st7 h VAL 12 Ca -0.00 -0.32 0.00 0.00 -1.23 0.00 0.00 66.70 65.15 1st7 h VAL 12 Cb 0.34 1.21 0.00 0.00 -2.13 0.00 0.00 31.29 30.71 1st7 h VAL 12 CO 0.00 0.07 0.00 0.78 -1.23 0.00 0.00 177.57 177.19 1st7 h ASN 13 N 0.00 0.00 0.00 4.19 2.35 -1.49 -3.26 115.58 117.37 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 0.00 0.00 -1.84 -1.65 0.00 0.00 177.43 173.95 1st7 n GLU 14 N -2.89 2.19 -1.91 0.81 0.28 0.38 -5.01 120.64 114.49 1st7 n GLU 14 Ca 0.01 -1.24 -0.38 0.00 -0.16 0.00 0.00 57.16 55.39 1st7 n GLU 14 Cb 0.29 -0.90 0.03 0.00 1.43 0.00 0.00 31.44 32.28 1st7 n GLU 14 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1st7 s LEU 15 N -0.75 3.87 0.47 -1.84 1.43 -0.66 -4.90 118.68 116.30 1st7 s LEU 15 Ca 0.00 2.63 0.27 0.00 -1.03 0.00 0.00 54.13 55.99 1st7 s LEU 15 Cb 0.00 -4.30 0.75 0.00 0.03 0.00 0.00 46.19 42.67 1st7 s LEU 15 CO 0.00 -1.43 1.76 1.55 0.23 0.00 0.00 176.35 178.46 1st7 h PRO 16 N 1.54 0.00 -2.85 1.29 0.13 -1.84 -3.14 132.00 127.11 1st7 h PRO 16 Ca -0.50 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 63.95 1st7 h PRO 16 Cb 1.29 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 32.04 1st7 h PRO 16 CO 0.58 0.04 -0.19 2.41 -0.23 0.00 0.00 178.00 180.62 1st7 n THR 17 N -3.12 2.97 -1.01 1.56 -1.04 -1.25 -5.06 114.28 107.33 1st7 n THR 17 Ca 0.02 -5.25 -0.34 0.00 -2.04 0.00 0.00 64.05 56.45 1st7 n THR 17 Cb 0.45 -2.21 0.12 0.00 -1.82 0.00 0.00 70.33 66.87 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 1.62 0.02 -1.74 -2.82 5.02 -1.19 -4.50 118.16 114.57 1st7 n LYS 18 Ca 0.25 0.07 -0.42 0.00 -2.02 0.00 0.00 58.31 56.19 1st7 n LYS 18 Cb 0.37 -2.20 -0.02 0.00 -0.02 0.00 0.00 35.03 33.17 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 -2.61 2.71 -1.96 1.97 -0.02 -1.26 -4.99 135.00 128.84 1st7 n PRO 19 Ca 0.11 0.97 -0.29 0.00 -2.02 0.00 0.00 63.50 62.27 1st7 n PRO 19 Cb 0.51 -2.76 0.06 0.00 -0.02 0.00 0.00 33.50 31.29 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 0.58 5.16 0.11 2.55 0.15 -1.26 -4.67 113.70 116.31 1st7 s SER 20 Ca 0.65 0.95 -0.34 0.00 0.70 0.00 0.00 55.95 57.91 1st7 s SER 20 Cb -0.50 -1.67 -0.14 0.00 -1.71 0.00 0.00 66.02 62.00 1st7 s SER 20 CO 0.47 -1.49 1.56 0.74 1.20 0.00 0.00 173.24 175.72 1st7 h THR 21 N -0.71 0.03 0.00 6.45 2.02 -1.99 0.31 112.91 119.02 1st7 h THR 21 Ca -0.45 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 66.65 1st7 h THR 21 Cb 1.28 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 1st7 h THR 21 CO 0.64 0.00 -0.37 0.44 0.37 0.00 0.00 175.52 176.60 1st7 h ASP 22 N -0.75 0.00 0.11 4.18 3.32 -2.02 -3.27 116.42 117.98 1st7 h ASP 22 Ca -0.00 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.78 1st7 h ASP 22 Cb 0.75 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.33 1st7 h ASP 22 CO -0.27 0.37 -1.10 -0.33 -1.72 0.00 0.00 179.24 176.19 1st7 h GLU 23 N 0.00 0.55 -0.79 3.56 5.08 -1.68 -3.29 114.58 118.01 1st7 h GLU 23 Ca -0.00 -0.74 0.19 0.00 -1.00 0.00 0.00 59.36 57.81 1st7 h GLU 23 Cb 0.82 0.24 -0.13 0.00 0.50 0.00 0.00 28.75 30.18 1st7 h GLU 23 CO 0.05 1.33 0.11 1.25 -1.00 0.00 0.00 179.01 180.74 1st7 h LEU 24 N 0.13 -0.18 -0.35 1.33 5.85 -0.47 0.58 115.31 122.20 1st7 h LEU 24 Ca -0.17 0.19 0.07 0.00 0.84 0.00 0.00 57.88 58.81 1st7 h LEU 24 Cb 1.80 0.29 -0.09 0.00 0.37 0.00 0.00 40.66 43.03 1st7 h LEU 24 CO 0.21 -0.15 -0.39 -0.07 -0.34 0.00 0.00 178.44 177.71 1st7 h LEU 25 N 0.16 -1.28 -0.27 2.25 3.38 -1.64 0.17 115.31 118.09 1st7 h LEU 25 Ca 0.45 0.20 -0.20 0.00 0.09 0.00 0.00 57.88 58.42 1st7 h LEU 25 Cb 0.84 0.56 0.00 0.00 0.09 0.00 0.00 40.66 42.16 1st7 h LEU 25 CO -0.63 -0.36 -0.72 -0.33 0.09 0.00 0.00 178.44 176.49 1st7 h GLU 26 N -0.33 0.69 -0.35 1.13 5.08 -1.48 -0.64 114.58 118.68 1st7 h GLU 26 Ca 0.14 -0.53 -0.09 0.00 -1.00 0.00 0.00 59.36 57.87 1st7 h GLU 26 Cb 0.57 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 1st7 h GLU 26 CO -0.53 1.15 -0.18 -0.07 -1.00 0.00 0.00 179.01 178.39 1st7 h LEU 27 N 0.49 0.64 0.80 1.33 4.07 -0.80 -1.68 115.31 120.15 1st7 h LEU 27 Ca -0.03 -0.20 -0.04 0.00 0.08 0.00 0.00 57.88 57.69 1st7 h LEU 27 Cb 1.32 -0.17 0.01 0.00 1.08 0.00 0.00 40.66 42.89 1st7 h LEU 27 CO 0.14 0.83 -0.38 0.22 -1.08 0.00 0.00 178.44 178.16 1st7 h TYR 28 N 0.58 -0.99 -0.37 1.13 5.03 -0.62 -2.49 116.97 119.23 1st7 h TYR 28 Ca 0.09 -0.02 0.08 0.00 2.58 0.00 0.00 58.73 61.46 1st7 h TYR 28 Cb 0.63 0.33 -0.09 0.00 1.55 0.00 0.00 36.73 39.15 1st7 h TYR 28 CO 0.03 -0.62 -0.25 0.00 -1.32 0.00 0.00 178.16 176.00 1st7 h ALA 29 N -0.88 -0.04 -0.52 1.82 0.00 -0.69 0.35 119.26 119.29 1st7 h ALA 29 Ca -0.11 0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1st7 h ALA 29 Cb 0.83 0.57 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 1st7 h ALA 29 CO 0.18 -0.64 -0.10 -0.07 0.00 0.00 0.00 179.25 178.62 1st7 h LEU 30 N -0.20 0.99 0.11 0.00 4.07 -1.45 -0.15 115.31 118.69 1st7 h LEU 30 Ca 0.18 -0.35 0.01 0.00 0.08 0.00 0.00 57.88 57.80 1st7 h LEU 30 Cb 0.48 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.93 1st7 h LEU 30 CO -0.49 1.11 -0.17 0.22 -1.08 0.00 0.00 178.44 178.03 1st7 h TYR 31 N 0.86 -0.46 -0.90 1.13 3.20 -0.80 -1.72 116.97 118.29 1st7 h TYR 31 Ca 0.14 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.07 1st7 h TYR 31 Cb 0.67 0.19 -0.06 0.00 1.54 0.00 0.00 36.73 39.07 1st7 h TYR 31 CO 0.05 -0.26 0.59 0.87 -1.64 0.00 0.00 178.16 177.76 1st7 h LYS 32 N -0.34 1.02 0.44 1.82 1.79 -0.34 -0.07 116.57 120.88 1st7 h LYS 32 Ca 0.02 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.42 1st7 h LYS 32 Cb 0.36 -0.23 -0.02 0.00 -1.58 0.00 0.00 32.23 30.76 1st7 h LYS 32 CO -0.09 0.67 -0.40 1.96 -1.08 0.00 0.00 179.45 180.51 1st7 h GLN 33 N 1.05 -0.82 0.00 3.15 4.20 -0.35 -2.61 115.11 119.73 1st7 h GLN 33 Ca 0.38 0.06 0.00 0.00 0.06 0.00 0.00 58.65 59.14 1st7 h GLN 33 Cb 0.15 0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1st7 h GLN 33 CO -0.13 -0.55 -0.50 0.00 -0.67 0.00 0.00 178.83 176.98 1st7 n ALA 34 N -2.70 3.43 0.39 3.87 0.00 -0.71 -0.24 120.51 124.55 1st7 n ALA 34 Ca -0.11 -0.33 -0.16 0.00 0.00 0.00 0.00 53.44 52.84 1st7 n ALA 34 Cb 0.40 -1.14 -0.08 0.00 0.00 0.00 0.00 19.45 18.64 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 0.06 0.00 0.00 2.02 -0.95 -3.40 112.91 110.64 1st7 h THR 35 Ca 0.00 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.94 1st7 h THR 35 Cb 0.53 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.01 1st7 h THR 35 CO 0.00 0.01 -0.34 1.62 0.37 0.00 0.00 175.52 177.18 1st7 h VAL 36 N -1.24 0.00 0.00 3.16 3.04 -1.55 -3.50 116.25 116.17 1st7 h VAL 36 Ca -0.10 -0.90 0.00 0.00 -1.01 0.00 0.00 66.70 64.68 1st7 h VAL 36 Cb 0.79 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 30.07 1st7 h VAL 36 CO 0.17 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.34 1st7 n GLY 37 N 1.67 1.21 2.97 3.17 0.00 0.67 -5.08 105.19 109.80 1st7 n GLY 37 Ca -0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 1st7 n GLY 37 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1st7 n ASP 38 N 0.00 3.10 -4.69 1.61 8.00 -1.26 -4.40 116.55 118.91 1st7 n ASP 38 Ca 0.00 -2.82 -0.42 0.00 0.71 0.00 0.00 54.79 52.26 1st7 n ASP 38 Cb 0.00 0.31 -0.03 0.00 -0.02 0.00 0.00 41.12 41.38 1st7 n ASP 38 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1st7 s ASN 39 N -3.28 6.69 -0.12 -2.24 4.22 -0.20 -4.76 114.94 115.26 1st7 s ASN 39 Ca 0.00 2.34 -0.04 0.00 -2.14 0.00 0.00 52.86 53.02 1st7 s ASN 39 Cb 0.00 -2.56 -0.02 0.00 1.28 0.00 0.00 41.25 39.95 1st7 s ASN 39 CO 0.00 -0.83 -0.06 -0.78 -2.04 0.00 0.00 177.10 173.39 1st7 h ASP 40 N 8.25 0.00 -4.37 3.54 3.58 -1.92 -3.47 116.42 122.03 1st7 h ASP 40 Ca -0.41 -0.02 -0.50 0.00 0.42 0.00 0.00 57.03 56.52 1st7 h ASP 40 Cb 1.19 0.00 0.06 0.00 1.72 0.00 0.00 39.33 42.31 1st7 h ASP 40 CO 0.92 0.62 0.41 -0.54 -2.88 0.00 0.00 179.24 177.77 1st7 s LYS 41 N -1.84 3.37 0.00 0.28 1.02 -1.26 -4.99 119.74 116.32 1st7 s LYS 41 Ca -0.06 0.65 0.01 0.00 0.02 0.00 0.00 55.97 56.58 1st7 s LYS 41 Cb 0.01 -2.07 0.01 0.00 -0.52 0.00 0.00 37.83 35.26 1st7 s LYS 41 CO 0.10 -0.70 0.96 -1.91 -0.92 0.00 0.00 175.35 172.87 1st7 n GLU 42 N -2.82 0.00 -3.73 1.68 2.13 -1.26 -5.00 120.64 111.65 1st7 n GLU 42 Ca 0.06 -0.93 -0.30 0.00 0.66 0.00 0.00 57.16 56.66 1st7 n GLU 42 Cb 0.55 -0.44 -0.13 0.00 0.27 0.00 0.00 31.44 31.69 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 0.00 1.23 0.64 5.31 2.20 -1.26 -5.07 119.74 122.79 1st7 s LYS 43 Ca 0.01 -1.89 -0.12 0.00 -0.36 0.00 0.00 55.97 53.62 1st7 s LYS 43 Cb 0.01 -2.33 -0.03 0.00 -1.51 0.00 0.00 37.83 33.97 1st7 s LYS 43 CO -0.00 -1.13 1.04 -1.25 -0.36 0.00 0.00 175.35 173.64 1st7 s PRO 44 N 0.53 3.37 0.00 4.03 0.04 -1.26 -5.10 135.00 136.62 1st7 s PRO 44 Ca 0.16 0.86 0.00 0.00 0.04 0.00 0.00 61.00 62.06 1st7 s PRO 44 Cb -0.23 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.26 1st7 s PRO 44 CO -0.03 -0.75 0.00 0.41 0.04 0.00 0.00 177.00 176.67 1st7 n GLY 45 N -2.32 0.33 0.17 0.56 0.00 -1.26 -4.93 105.19 97.75 1st7 n GLY 45 Ca 0.07 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.73 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 0.00 0.00 0.95 -0.61 -5.35 -1.26 -4.57 119.36 108.52 1st7 n ILE 46 Ca 0.00 0.16 0.10 0.00 -0.27 0.00 0.00 62.75 62.74 1st7 n ILE 46 Cb 0.00 -1.07 0.50 0.00 -1.74 0.00 0.00 39.64 37.34 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 -1.90 0.00 -1.16 4.28 1.16 -1.26 -4.46 117.46 114.12 1st7 n PHE 47 Ca 0.00 0.00 -0.39 0.00 -1.87 0.00 0.00 57.45 55.19 1st7 n PHE 47 Cb 0.00 -0.28 -0.04 0.00 -1.61 0.00 0.00 39.48 37.55 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 -1.28 3.43 0.10 5.98 4.13 -1.26 -4.70 115.26 121.66 1st7 n ASN 48 Ca 0.10 -2.63 0.02 0.00 1.68 0.00 0.00 54.58 53.74 1st7 n ASN 48 Cb 0.16 -1.21 0.36 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 7.17 0.27 -0.18 3.52 -0.00 -1.92 0.26 114.93 124.05 1st7 h MET 49 Ca 0.48 -0.07 -0.02 0.00 -0.00 0.00 0.00 59.70 60.09 1st7 h MET 49 Cb 0.55 -0.03 -0.01 0.00 -0.00 0.00 0.00 31.60 32.11 1st7 h MET 49 CO 1.84 0.42 0.04 1.57 -0.00 0.00 0.00 176.91 180.78 1st7 h LYS 50 N 0.25 0.28 -0.44 -0.10 2.10 -1.98 -2.01 116.57 114.68 1st7 h LYS 50 Ca 0.05 -0.07 -0.09 0.00 -2.00 0.00 0.00 60.65 58.54 1st7 h LYS 50 Cb 0.41 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 31.69 1st7 h LYS 50 CO 0.02 0.42 -0.07 -0.44 -2.00 0.00 0.00 179.45 177.38 1st7 h ASP 51 N 0.10 0.82 -0.42 7.07 5.19 -1.89 -2.32 116.42 124.97 1st7 h ASP 51 Ca 0.06 -0.35 0.07 0.00 -0.62 0.00 0.00 57.03 56.19 1st7 h ASP 51 Cb 0.26 -0.22 -0.06 0.00 0.18 0.00 0.00 39.33 39.49 1st7 h ASP 51 CO 0.00 0.97 0.03 0.03 -3.12 0.00 0.00 179.24 177.15 1st7 h ARG 52 N 0.65 0.14 -0.14 3.56 3.08 -0.90 0.23 114.38 121.00 1st7 h ARG 52 Ca 0.11 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 1st7 h ARG 52 Cb 0.60 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 1st7 h ARG 52 CO 0.04 0.09 0.05 1.88 -1.07 0.00 0.00 179.97 180.96 1st7 h TYR 53 N 0.14 0.21 -0.40 3.04 0.05 -1.35 -1.04 116.97 117.62 1st7 h TYR 53 Ca 0.21 -0.02 0.08 0.00 0.05 0.00 0.00 58.73 59.05 1st7 h TYR 53 Cb 0.28 -0.06 -0.08 0.00 1.01 0.00 0.00 36.73 37.88 1st7 h TYR 53 CO -0.25 0.29 -0.17 -0.22 -1.05 0.00 0.00 178.16 176.75 1st7 h LYS 54 N 0.06 -0.09 -0.07 4.88 1.63 -1.12 -1.95 116.57 119.91 1st7 h LYS 54 Ca 0.05 0.01 -0.17 0.00 -0.85 0.00 0.00 60.65 59.68 1st7 h LYS 54 Cb 0.17 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.82 1st7 h LYS 54 CO -0.00 -0.06 -0.70 2.35 -3.45 0.00 0.00 179.45 177.59 1st7 h TRP 55 N -0.10 0.43 -0.22 1.91 7.01 -0.51 -2.86 115.95 121.60 1st7 h TRP 55 Ca 0.19 -0.19 -0.11 0.00 2.11 0.00 0.00 58.89 60.90 1st7 h TRP 55 Cb 0.40 -0.07 -0.01 0.00 -2.10 0.00 0.00 29.16 27.38 1st7 h TRP 55 CO -0.41 0.91 -0.32 1.49 -2.79 0.00 0.00 178.44 177.32 1st7 h GLU 56 N 0.22 0.45 0.00 2.65 4.81 -0.94 0.65 114.58 122.42 1st7 h GLU 56 Ca -0.02 -0.19 -0.04 0.00 -0.13 0.00 0.00 59.36 58.98 1st7 h GLU 56 Cb 1.25 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 1st7 h GLU 56 CO 0.11 0.72 -0.19 0.00 -0.73 0.00 0.00 179.01 178.92 1st7 h ALA 57 N 1.28 1.17 0.00 2.92 0.00 -1.26 -2.92 119.26 120.44 1st7 h ALA 57 Ca 0.05 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1st7 h ALA 57 Cb 0.75 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1st7 h ALA 57 CO 0.06 0.24 -0.21 2.35 0.00 0.00 0.00 179.25 181.69 1st7 h TRP 58 N 0.00 0.00 -1.06 0.00 7.01 -1.13 -3.36 115.95 117.42 1st7 h TRP 58 Ca -0.00 0.00 0.31 0.00 2.11 0.00 0.00 58.89 61.30 1st7 h TRP 58 Cb 0.54 0.00 -0.13 0.00 -2.10 0.00 0.00 29.16 27.48 1st7 h TRP 58 CO 0.00 0.96 0.64 1.49 -2.79 0.00 0.00 178.44 178.74 1st7 h GLU 59 N -1.00 0.36 -0.69 2.65 4.22 -0.87 0.07 114.58 119.32 1st7 h GLU 59 Ca -0.06 -0.02 0.14 0.00 0.08 0.00 0.00 59.36 59.50 1st7 h GLU 59 Cb 0.94 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.06 1st7 h GLU 59 CO -0.03 0.24 0.46 -0.97 -2.18 0.00 0.00 179.01 176.53 1st7 h ASN 60 N 0.37 0.30 -0.12 1.04 -0.73 -1.65 -2.45 115.58 112.35 1st7 h ASN 60 Ca 0.69 0.02 -0.04 0.00 1.87 0.00 0.00 56.30 58.84 1st7 h ASN 60 Cb 1.65 -0.05 -0.02 0.00 0.27 0.00 0.00 38.32 40.18 1st7 h ASN 60 CO -0.47 0.16 -0.15 0.18 -0.37 0.00 0.00 177.43 176.78 1st7 n LEU 61 N -4.45 3.07 0.00 0.34 4.32 -0.01 -4.89 117.00 115.37 1st7 n LEU 61 Ca 0.13 -3.43 0.02 0.00 -0.02 0.00 0.00 56.01 52.70 1st7 n LEU 61 Cb 0.52 -0.52 0.10 0.00 -1.62 0.00 0.00 43.42 41.90 1st7 n LEU 61 CO 0.34 1.00 0.28 2.29 -1.22 0.00 0.00 177.39 180.07 1st7 n LYS 62 N -1.13 0.16 0.00 3.23 2.85 -0.92 -3.31 118.16 119.04 1st7 n LYS 62 Ca 0.21 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.47 1st7 n LYS 62 Cb 0.78 -1.32 0.00 0.00 -0.65 0.00 0.00 35.03 33.83 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 -0.56 0.00 0.09 2.58 0.00 -1.26 -1.03 105.19 105.00 1st7 n GLY 63 Ca 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 1st7 n GLY 63 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1st7 h LYS 64 N 0.00 0.00 -0.60 1.61 3.64 -1.79 -3.42 116.57 116.01 1st7 h LYS 64 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1st7 h LYS 64 Cb 0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1st7 h LYS 64 CO 0.00 0.47 0.00 0.45 -2.27 0.00 0.00 179.45 178.10 1st7 n SER 65 N -3.03 2.22 0.05 4.20 2.88 -1.21 -3.20 113.62 115.53 1st7 n SER 65 Ca -0.11 -2.20 0.08 0.00 -1.33 0.00 0.00 58.87 55.31 1st7 n SER 65 Cb 0.94 -0.40 0.35 0.00 -0.75 0.00 0.00 64.21 64.35 1st7 n SER 65 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1st7 n GLN 66 N 0.27 0.06 -0.04 -1.46 0.00 -1.26 -0.40 117.38 114.56 1st7 n GLN 66 Ca 0.10 0.34 -0.18 0.00 -0.00 0.00 0.00 57.00 57.26 1st7 n GLN 66 Cb 0.44 -1.63 -0.14 0.00 0.00 0.00 0.00 30.24 28.92 1st7 n GLN 66 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1st7 n GLU 67 N -1.76 0.71 -0.11 3.69 1.02 -1.19 -4.54 120.64 118.47 1st7 n GLU 67 Ca 0.03 0.23 -0.24 0.00 -0.02 0.00 0.00 57.16 57.15 1st7 n GLU 67 Cb 0.17 -1.67 -0.11 0.00 -0.02 0.00 0.00 31.44 29.81 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 -3.33 1.91 -0.25 1.62 2.03 -1.04 -4.33 116.55 113.15 1st7 n ASP 68 Ca -0.33 0.37 -0.10 0.00 0.52 0.00 0.00 54.79 55.25 1st7 n ASP 68 Cb 1.04 -0.90 -0.08 0.00 -0.72 0.00 0.00 41.12 40.45 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 -0.60 -0.57 -1.33 -1.67 0.00 -1.02 0.33 119.26 114.40 1st7 h ALA 69 Ca -0.47 0.06 0.43 0.00 0.00 0.00 0.00 54.91 54.93 1st7 h ALA 69 Cb 1.45 1.21 -0.12 0.00 0.00 0.00 0.00 17.79 20.33 1st7 h ALA 69 CO -0.26 -0.87 0.87 1.05 0.00 0.00 0.00 179.25 180.04 1st7 h GLU 70 N -0.14 0.09 0.14 0.00 4.11 -1.80 0.19 114.58 117.16 1st7 h GLU 70 Ca 0.10 -0.01 -0.34 0.00 0.07 0.00 0.00 59.36 59.19 1st7 h GLU 70 Cb 0.41 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1st7 h GLU 70 CO -0.67 0.06 -1.80 0.87 0.07 0.00 0.00 179.01 177.54 1st7 h LYS 71 N 0.09 0.29 0.00 1.06 1.79 -1.24 -3.35 116.57 115.22 1st7 h LYS 71 Ca 0.81 -0.50 -0.05 0.00 -2.18 0.00 0.00 60.65 58.73 1st7 h LYS 71 Cb 2.57 0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 33.40 1st7 h LYS 71 CO -0.39 1.24 -0.23 0.93 -1.08 0.00 0.00 179.45 179.92 1st7 h GLU 72 N -0.03 0.00 0.66 3.15 4.39 -0.65 -3.36 114.58 118.75 1st7 h GLU 72 Ca -0.38 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.29 1st7 h GLU 72 Cb 1.98 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.64 1st7 h GLU 72 CO 0.10 0.23 -0.32 -0.92 -1.16 0.00 0.00 179.01 176.94 1st7 h TYR 73 N 0.00 -0.82 -0.95 4.33 3.20 -0.77 -2.85 116.97 119.11 1st7 h TYR 73 Ca -0.00 -0.02 0.21 0.00 3.14 0.00 0.00 58.73 62.06 1st7 h TYR 73 Cb 1.00 0.27 -0.18 0.00 1.54 0.00 0.00 36.73 39.37 1st7 h TYR 73 CO 0.00 -0.48 -0.16 1.51 -1.64 0.00 0.00 178.16 177.38 1st7 n ILE 74 N -5.38 -0.40 -0.06 1.81 0.00 -1.25 -0.87 119.36 113.20 1st7 n ILE 74 Ca -0.12 2.15 -0.13 0.00 0.00 0.00 0.00 62.75 64.66 1st7 n ILE 74 Cb 0.37 -3.02 -0.06 0.00 0.00 0.00 0.00 39.64 36.93 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 1.90 0.26 0.50 1.51 0.00 -1.70 -0.05 119.26 121.67 1st7 h ALA 75 Ca 0.49 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1st7 h ALA 75 Cb 0.83 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1st7 h ALA 75 CO -0.95 0.10 -0.41 -0.07 0.00 0.00 0.00 179.25 177.92 1st7 h LEU 76 N 0.07 -1.08 -1.13 0.00 3.38 -1.19 -3.03 115.31 112.34 1st7 h LEU 76 Ca 0.04 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1st7 h LEU 76 Cb 0.61 0.35 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 1st7 h LEU 76 CO 0.03 -0.58 -0.00 0.58 0.09 0.00 0.00 178.44 178.55 1st7 h VAL 77 N -0.89 0.01 -0.00 1.22 2.07 -1.02 0.82 116.25 118.45 1st7 h VAL 77 Ca -0.05 -0.63 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 1st7 h VAL 77 Cb 0.77 1.63 -0.00 0.00 -1.52 0.00 0.00 31.29 32.16 1st7 h VAL 77 CO -0.01 0.00 0.00 -0.78 0.02 0.00 0.00 177.57 176.80 1st7 h ASP 78 N 0.00 0.00 0.64 0.57 3.58 -0.95 0.22 116.42 120.48 1st7 h ASP 78 Ca -0.00 -0.28 -0.08 0.00 0.42 0.00 0.00 57.03 57.09 1st7 h ASP 78 Cb 0.63 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.67 1st7 h ASP 78 CO 0.00 0.28 -0.36 1.56 -2.88 0.00 0.00 179.24 177.84 1st7 h GLN 79 N -0.28 0.00 0.11 0.28 4.20 -1.30 -1.56 115.11 116.56 1st7 h GLN 79 Ca 0.00 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.53 1st7 h GLN 79 Cb 0.28 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.07 1st7 h GLN 79 CO 0.00 0.36 -0.85 -0.07 -0.67 0.00 0.00 178.83 177.60 1st7 h LEU 80 N 0.00 0.35 -1.65 1.46 4.07 -0.83 -3.28 115.31 115.43 1st7 h LEU 80 Ca -0.00 -0.92 -0.01 0.00 0.08 0.00 0.00 57.88 57.03 1st7 h LEU 80 Cb 0.78 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.39 1st7 h LEU 80 CO 0.05 1.39 0.09 0.40 -1.08 0.00 0.00 178.44 179.28 1st7 h ILE 81 N -0.48 1.10 -0.64 1.22 2.04 -0.49 0.24 117.51 120.49 1st7 h ILE 81 Ca -0.17 -0.30 0.18 0.00 1.00 0.00 0.00 64.86 65.58 1st7 h ILE 81 Cb 1.56 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 38.44 1st7 h ILE 81 CO 0.09 0.11 0.48 0.00 0.00 0.00 0.00 178.15 178.83 1st7 h ALA 82 N 1.79 2.56 0.05 1.87 0.00 -1.34 0.20 119.26 124.38 1st7 h ALA 82 Ca 0.08 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.75 1st7 h ALA 82 Cb 0.07 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1st7 h ALA 82 CO -0.01 -0.81 -1.18 -0.22 0.00 0.00 0.00 179.25 177.04 1st7 h LYS 83 N 0.00 0.10 0.00 0.00 3.64 -1.27 -3.43 116.57 115.60 1st7 h LYS 83 Ca 0.30 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1st7 h LYS 83 Cb 1.26 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 1st7 h LYS 83 CO -0.00 1.08 -0.59 0.66 -2.27 0.00 0.00 179.45 178.33 1st7 n TYR 84 N -4.23 0.11 -0.27 1.91 4.01 0.70 -4.31 117.16 115.09 1st7 n TYR 84 Ca -0.27 0.03 -0.04 0.00 -0.16 0.00 0.00 57.90 57.47 1st7 n TYR 84 Cb 0.75 -0.32 0.01 0.00 -0.31 0.00 0.00 39.34 39.47 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 -1.28 0.00 7.72 0.87 -0.88 -3.31 113.55 116.66 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 0.56 0.65 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 1st7 h SER 85 CO 0.00 -0.30 0.00 -1.20 -0.53 0.00 0.00 176.83 174.80