#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 -0.30 4.52 0.02 -1.93 -2.69 113.55 113.17 1st7 h SER 2 Ca 0.00 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 1st7 h SER 2 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1st7 h SER 2 CO 0.00 0.00 -0.19 -0.61 -1.14 0.00 0.00 176.83 174.89 1st7 h GLN 3 N 0.00 0.66 -0.14 3.45 4.15 -2.00 -2.71 115.11 118.52 1st7 h GLN 3 Ca 0.00 -0.31 0.00 0.00 0.77 0.00 0.00 58.65 59.12 1st7 h GLN 3 Cb 0.52 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.20 1st7 h GLN 3 CO 0.00 0.90 0.08 1.25 -1.93 0.00 0.00 178.83 179.13 1st7 h LEU 4 N 0.41 0.13 -0.79 -2.39 5.85 -1.97 -2.29 115.31 114.26 1st7 h LEU 4 Ca 0.06 0.00 0.16 0.00 0.84 0.00 0.00 57.88 58.95 1st7 h LEU 4 Cb 0.73 -0.03 -0.15 0.00 0.37 0.00 0.00 40.66 41.59 1st7 h LEU 4 CO 0.05 0.10 -0.16 0.15 -0.34 0.00 0.00 178.44 178.24 1st7 h PHE 5 N 0.16 -0.35 -0.05 1.25 3.04 -1.46 0.23 116.94 119.77 1st7 h PHE 5 Ca 0.05 0.07 -0.24 0.00 3.98 0.00 0.00 57.97 61.83 1st7 h PHE 5 Cb -0.01 0.28 0.01 0.00 2.56 0.00 0.00 35.95 38.79 1st7 h PHE 5 CO -0.08 -0.33 -0.91 0.93 -2.02 0.00 0.00 178.31 175.90 1st7 h GLU 6 N 0.01 0.63 -0.01 1.11 5.08 -1.21 0.15 114.58 120.34 1st7 h GLU 6 Ca 0.39 -0.61 0.01 0.00 -1.00 0.00 0.00 59.36 58.15 1st7 h GLU 6 Cb 0.62 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 1st7 h GLU 6 CO -0.79 1.22 -0.02 1.49 -1.00 0.00 0.00 179.01 179.90 1st7 h GLU 7 N 0.39 -0.03 0.00 2.33 4.81 -0.78 -2.95 114.58 118.34 1st7 h GLU 7 Ca -0.09 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.01 1st7 h GLU 7 Cb 1.55 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.91 1st7 h GLU 7 CO 0.17 -0.02 -1.00 -0.22 -0.73 0.00 0.00 179.01 177.21 1st7 h LYS 8 N -0.04 0.00 -0.19 1.92 1.63 -0.60 -3.28 116.57 116.01 1st7 h LYS 8 Ca 0.01 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.77 1st7 h LYS 8 Cb 0.06 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.68 1st7 h LYS 8 CO -0.03 0.39 -0.04 0.00 -3.45 0.00 0.00 179.45 176.31 1st7 h ALA 9 N 1.46 0.26 0.00 5.00 0.00 -0.73 -2.32 119.26 122.93 1st7 h ALA 9 Ca -0.09 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1st7 h ALA 9 Cb 1.49 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 1st7 h ALA 9 CO 0.05 0.03 -0.00 0.87 0.00 0.00 0.00 179.25 180.20 1st7 h LYS 10 N 0.08 0.00 0.11 0.00 1.57 -1.63 -1.56 116.57 115.14 1st7 h LYS 10 Ca 0.05 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1st7 h LYS 10 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1st7 h LYS 10 CO 0.02 0.00 -0.05 0.00 -0.57 0.00 0.00 179.45 178.85 1st7 h ALA 11 N 2.00 -0.15 0.00 3.86 0.00 -1.58 -3.38 119.26 120.02 1st7 h ALA 11 Ca -0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1st7 h ALA 11 Cb 0.12 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1st7 h ALA 11 CO 0.00 -0.16 -0.16 -0.39 0.00 0.00 0.00 179.25 178.55 1st7 h VAL 12 N -1.00 0.95 0.00 0.00 -1.51 -0.85 -0.80 116.25 113.04 1st7 h VAL 12 Ca -0.01 -0.56 0.00 0.00 -1.23 0.00 0.00 66.70 64.89 1st7 h VAL 12 Cb 0.35 1.32 0.00 0.00 -2.13 0.00 0.00 31.29 30.83 1st7 h VAL 12 CO 0.02 0.15 0.00 0.59 -1.23 0.00 0.00 177.57 177.11 1st7 n ASN 13 N -4.12 0.64 -0.04 4.19 3.02 -0.64 -3.58 115.26 114.72 1st7 n ASN 13 Ca -0.02 0.63 0.00 0.00 -0.03 0.00 0.00 54.58 55.16 1st7 n ASN 13 Cb 0.23 -0.77 0.01 0.00 -0.61 0.00 0.00 39.78 38.63 1st7 n ASN 13 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1st7 n GLU 14 N -2.17 0.88 -2.00 3.52 0.28 -0.61 -4.97 120.64 115.57 1st7 n GLU 14 Ca 0.03 -0.90 -0.35 0.00 -0.16 0.00 0.00 57.16 55.78 1st7 n GLU 14 Cb 0.28 -0.68 0.03 0.00 1.43 0.00 0.00 31.44 32.50 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 -0.39 3.63 0.22 -1.84 2.96 -0.41 -4.92 118.68 117.94 1st7 s LEU 15 Ca 0.01 2.30 0.25 0.00 -0.22 0.00 0.00 54.13 56.47 1st7 s LEU 15 Cb 0.01 -4.59 0.89 0.00 0.50 0.00 0.00 46.19 43.00 1st7 s LEU 15 CO 0.00 -1.56 1.75 -0.81 -1.32 0.00 0.00 176.35 174.41 1st7 n PRO 16 N -1.68 0.23 -3.40 0.98 -0.04 -1.26 -2.92 135.00 126.90 1st7 n PRO 16 Ca 0.13 0.29 -0.40 0.00 -0.04 0.00 0.00 63.50 63.48 1st7 n PRO 16 Cb 0.50 -1.82 -0.03 0.00 -0.04 0.00 0.00 33.50 32.11 1st7 n PRO 16 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1st7 n THR 17 N -2.23 3.98 -1.64 0.52 -1.04 -1.25 -5.05 114.28 107.57 1st7 n THR 17 Ca 0.04 -5.37 -0.36 0.00 -2.04 0.00 0.00 64.05 56.32 1st7 n THR 17 Cb 0.34 -2.39 0.08 0.00 -1.82 0.00 0.00 70.33 66.54 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 -1.66 2.41 0.60 -2.82 1.02 -1.15 -4.78 119.74 113.36 1st7 s LYS 18 Ca 0.30 1.99 -0.19 0.00 0.02 0.00 0.00 55.97 58.10 1st7 s LYS 18 Cb -0.05 -1.84 -0.03 0.00 -0.52 0.00 0.00 37.83 35.39 1st7 s LYS 18 CO -0.06 -1.69 1.23 -2.14 -0.92 0.00 0.00 175.35 171.77 1st7 s PRO 19 N -3.52 2.89 0.77 -1.68 0.02 -1.26 -4.96 135.00 127.26 1st7 s PRO 19 Ca 0.81 1.89 -0.11 0.00 0.02 0.00 0.00 61.00 63.61 1st7 s PRO 19 Cb -0.35 -1.92 0.05 0.00 0.02 0.00 0.00 34.50 32.30 1st7 s PRO 19 CO 0.41 -1.29 1.09 -1.12 -0.33 0.00 0.00 177.00 175.76 1st7 s SER 20 N -1.53 4.57 0.15 2.53 0.01 -1.26 -4.70 113.70 113.47 1st7 s SER 20 Ca 0.78 1.73 -0.17 0.00 1.31 0.00 0.00 55.95 59.61 1st7 s SER 20 Cb -0.32 -2.46 0.04 0.00 0.21 0.00 0.00 66.02 63.49 1st7 s SER 20 CO 0.35 -1.98 1.75 0.00 0.41 0.00 0.00 173.24 173.77 1st7 h THR 21 N -1.09 0.90 0.00 1.44 1.03 -1.99 0.16 112.91 113.36 1st7 h THR 21 Ca -0.44 -0.09 -0.12 0.00 -0.01 0.00 0.00 66.41 65.75 1st7 h THR 21 Cb 1.23 0.63 -0.02 0.00 -1.07 0.00 0.00 68.15 68.93 1st7 h THR 21 CO 0.53 0.05 -0.56 0.44 -0.01 0.00 0.00 175.52 175.97 1st7 h ASP 22 N 0.25 0.00 0.22 0.00 3.32 -2.02 -3.26 116.42 114.93 1st7 h ASP 22 Ca 0.15 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 1st7 h ASP 22 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1st7 h ASP 22 CO -0.15 0.56 -0.10 -0.33 -1.72 0.00 0.00 179.24 177.49 1st7 h GLU 23 N 0.00 -0.28 -1.16 3.56 5.08 -1.79 -3.28 114.58 116.71 1st7 h GLU 23 Ca -0.01 0.02 0.33 0.00 -1.00 0.00 0.00 59.36 58.71 1st7 h GLU 23 Cb 1.30 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 30.56 1st7 h GLU 23 CO 0.07 0.06 0.83 1.25 -1.00 0.00 0.00 179.01 180.23 1st7 h LEU 24 N -0.68 0.03 0.11 1.33 5.85 -0.73 0.39 115.31 121.62 1st7 h LEU 24 Ca -0.03 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1st7 h LEU 24 Cb 0.47 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.51 1st7 h LEU 24 CO 0.05 0.00 -0.05 -0.07 -0.34 0.00 0.00 178.44 178.03 1st7 h LEU 25 N 0.03 -0.13 0.07 2.25 3.38 -1.64 0.64 115.31 119.92 1st7 h LEU 25 Ca 0.56 -0.16 -0.25 0.00 0.09 0.00 0.00 57.88 58.12 1st7 h LEU 25 Cb 2.18 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.96 1st7 h LEU 25 CO -0.03 0.08 -1.15 -0.08 0.09 0.00 0.00 178.44 177.36 1st7 h GLU 26 N -0.34 0.16 0.00 1.13 4.81 -1.24 -2.57 114.58 116.53 1st7 h GLU 26 Ca -0.02 -0.27 -0.08 0.00 -0.13 0.00 0.00 59.36 58.87 1st7 h GLU 26 Cb 0.28 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 1st7 h GLU 26 CO 0.02 1.12 -0.37 -0.07 -0.73 0.00 0.00 179.01 178.99 1st7 h LEU 27 N 0.04 0.00 0.77 1.64 -0.00 -0.37 -1.74 115.31 115.65 1st7 h LEU 27 Ca -0.08 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.76 1st7 h LEU 27 Cb 1.89 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 42.56 1st7 h LEU 27 CO 0.17 0.37 -0.38 0.22 -0.00 0.00 0.00 178.44 178.83 1st7 h TYR 28 N 0.00 -0.98 -0.34 1.13 5.03 -0.86 -2.67 116.97 118.29 1st7 h TYR 28 Ca -0.00 -0.02 0.07 0.00 2.58 0.00 0.00 58.73 61.36 1st7 h TYR 28 Cb 0.88 0.32 -0.08 0.00 1.55 0.00 0.00 36.73 39.41 1st7 h TYR 28 CO 0.00 -0.60 -0.26 0.00 -1.32 0.00 0.00 178.16 175.97 1st7 h ALA 29 N -0.81 -0.09 -0.60 1.82 0.00 -0.97 0.22 119.26 118.83 1st7 h ALA 29 Ca -0.11 0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1st7 h ALA 29 Cb 0.80 0.57 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 1st7 h ALA 29 CO 0.17 -0.66 0.10 -0.07 0.00 0.00 0.00 179.25 178.79 1st7 h LEU 30 N -0.22 0.96 0.01 0.00 4.07 -1.47 0.14 115.31 118.79 1st7 h LEU 30 Ca 0.17 -0.26 -0.00 0.00 0.08 0.00 0.00 57.88 57.86 1st7 h LEU 30 Cb 0.48 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 41.97 1st7 h LEU 30 CO -0.47 0.97 -0.01 0.22 -1.08 0.00 0.00 178.44 178.08 1st7 h TYR 31 N 0.90 -0.01 -0.35 1.13 3.20 -0.99 -1.97 116.97 118.88 1st7 h TYR 31 Ca 0.18 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 1st7 h TYR 31 Cb 0.43 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 1st7 h TYR 31 CO 0.03 0.10 0.17 0.87 -1.64 0.00 0.00 178.16 177.69 1st7 h LYS 32 N -0.13 0.48 0.86 1.82 1.79 -0.59 -0.16 116.57 120.64 1st7 h LYS 32 Ca -0.00 -0.05 -0.04 0.00 -2.18 0.00 0.00 60.65 58.38 1st7 h LYS 32 Cb 0.12 -0.10 0.01 0.00 -1.58 0.00 0.00 32.23 30.68 1st7 h LYS 32 CO 0.00 0.37 -0.44 1.96 -1.08 0.00 0.00 179.45 180.27 1st7 h GLN 33 N 0.48 -1.15 -0.00 3.15 4.20 -0.21 -2.00 115.11 119.58 1st7 h GLN 33 Ca 0.12 0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.91 1st7 h GLN 33 Cb 0.05 0.26 0.00 0.00 0.30 0.00 0.00 27.48 28.09 1st7 h GLN 33 CO -0.02 -0.77 -0.24 0.00 -0.67 0.00 0.00 178.83 177.14 1st7 n ALA 34 N -2.62 2.99 0.11 3.87 0.00 -0.79 0.03 120.51 124.11 1st7 n ALA 34 Ca -0.15 -0.29 -0.11 0.00 0.00 0.00 0.00 53.44 52.90 1st7 n ALA 34 Cb 0.48 -1.26 -0.07 0.00 0.00 0.00 0.00 19.45 18.60 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 0.39 0.63 0.29 0.00 1.35 -1.05 -3.39 112.91 111.13 1st7 h THR 35 Ca 0.00 -0.86 -0.01 0.00 -0.55 0.00 0.00 66.41 64.98 1st7 h THR 35 Cb 0.45 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.89 1st7 h THR 35 CO 0.00 0.15 -0.14 0.58 -0.25 0.00 0.00 175.52 175.85 1st7 h VAL 36 N -0.89 0.27 0.00 6.82 2.07 -1.42 -3.48 116.25 119.62 1st7 h VAL 36 Ca -0.04 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.68 1st7 h VAL 36 Cb 0.51 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1st7 h VAL 36 CO 0.06 0.07 0.00 0.61 0.02 0.00 0.00 177.57 178.33 1st7 n GLY 37 N 0.58 0.52 3.24 2.17 0.00 0.10 -5.04 105.19 106.77 1st7 n GLY 37 Ca -0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.89 0.15 0.33 1.61 1.01 -1.26 -4.46 116.67 111.16 1st7 s ASP 38 Ca 0.00 -1.25 -0.29 0.00 0.71 0.00 0.00 52.55 51.71 1st7 s ASP 38 Cb 0.00 0.39 -0.12 0.00 1.01 0.00 0.00 42.92 44.20 1st7 s ASP 38 CO 0.00 -0.85 1.51 -0.46 0.21 0.00 0.00 175.17 175.58 1st7 n ASN 39 N -0.23 3.65 0.00 0.27 6.94 -0.51 -4.80 115.26 120.58 1st7 n ASN 39 Ca -0.01 1.18 0.00 0.00 -0.02 0.00 0.00 54.58 55.73 1st7 n ASN 39 Cb 0.65 -1.58 0.00 0.00 -2.36 0.00 0.00 39.78 36.49 1st7 n ASN 39 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 1st7 n ASP 40 N 1.38 0.00 -4.51 0.53 2.03 -1.26 -4.94 116.55 109.78 1st7 n ASP 40 Ca 0.06 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.94 1st7 n ASP 40 Cb 0.37 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.75 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 0.00 3.74 -0.56 -0.67 1.02 -1.26 -4.87 119.74 117.14 1st7 s LYS 41 Ca 0.00 -1.70 -0.07 0.00 0.02 0.00 0.00 55.97 54.22 1st7 s LYS 41 Cb 0.00 -5.20 -0.20 0.00 -0.52 0.00 0.00 37.83 31.91 1st7 s LYS 41 CO 0.00 -2.01 3.39 -1.91 -0.92 0.00 0.00 175.35 173.90 1st7 n GLU 42 N 7.54 2.59 -2.76 1.68 2.13 -1.26 -3.91 120.64 126.65 1st7 n GLU 42 Ca 0.33 -1.44 -0.05 0.00 0.66 0.00 0.00 57.16 56.66 1st7 n GLU 42 Cb 0.48 -2.27 0.02 0.00 0.27 0.00 0.00 31.44 29.94 1st7 n GLU 42 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1st7 n LYS 43 N 2.83 0.60 -2.17 5.31 -0.00 -1.26 -5.13 118.16 118.34 1st7 n LYS 43 Ca 0.55 -1.97 -0.34 0.00 -0.00 0.00 0.00 58.31 56.56 1st7 n LYS 43 Cb 0.68 -1.47 0.01 0.00 -0.00 0.00 0.00 35.03 34.25 1st7 n LYS 43 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1st7 s PRO 44 N 0.82 3.32 0.98 -1.58 0.04 -1.25 -5.03 135.00 132.29 1st7 s PRO 44 Ca 0.31 1.44 -0.14 0.00 0.04 0.00 0.00 61.00 62.65 1st7 s PRO 44 Cb 0.06 -2.02 0.18 0.00 0.04 0.00 0.00 34.50 32.76 1st7 s PRO 44 CO -0.10 -0.84 1.15 0.20 0.04 0.00 0.00 177.00 177.44 1st7 s GLY 45 N -2.17 1.60 -0.16 0.56 0.00 -1.26 -4.89 107.32 100.99 1st7 s GLY 45 Ca 0.69 -0.65 -0.05 0.00 0.00 0.00 0.00 44.72 44.71 1st7 s GLY 45 CO 0.30 -0.00 0.22 0.29 0.00 0.00 0.00 173.10 173.91 1st7 n ILE 46 N -4.00 1.71 1.52 0.90 -6.64 -1.26 -2.73 119.36 108.86 1st7 n ILE 46 Ca 0.08 -0.62 0.14 0.00 -1.77 0.00 0.00 62.75 60.59 1st7 n ILE 46 Cb 0.59 -1.67 0.60 0.00 -1.44 0.00 0.00 39.64 37.71 1st7 n ILE 46 CO 0.00 0.00 0.00 2.22 -1.77 0.00 0.00 176.55 177.00 1st7 n PHE 47 N -3.47 0.00 -2.04 4.28 1.16 -1.26 -4.73 117.46 111.39 1st7 n PHE 47 Ca -0.35 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 54.80 1st7 n PHE 47 Cb 1.02 -0.07 0.00 0.00 -1.61 0.00 0.00 39.48 38.82 1st7 n PHE 47 CO 0.00 0.00 0.00 -1.71 -1.87 0.00 0.00 176.76 173.18 1st7 n ASN 48 N -0.49 4.39 -0.16 5.98 2.85 -1.10 -4.80 115.26 121.92 1st7 n ASN 48 Ca 0.17 -2.93 -0.02 0.00 -0.11 0.00 0.00 54.58 51.69 1st7 n ASN 48 Cb 0.29 -1.61 0.07 0.00 1.24 0.00 0.00 39.78 39.77 1st7 n ASN 48 CO 0.00 0.00 0.00 0.24 -2.11 0.00 0.00 177.26 175.39 1st7 h MET 49 N 6.13 0.28 -0.51 1.20 2.86 -1.85 -0.63 114.93 122.41 1st7 h MET 49 Ca 0.50 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 58.07 1st7 h MET 49 Cb 0.67 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.25 1st7 h MET 49 CO 1.74 0.19 0.12 0.87 1.06 0.00 0.00 176.91 180.89 1st7 h LYS 50 N 0.29 0.83 -0.50 1.72 1.57 -1.96 -2.14 116.57 116.38 1st7 h LYS 50 Ca 0.25 -0.20 -0.13 0.00 -1.87 0.00 0.00 60.65 58.70 1st7 h LYS 50 Cb 0.32 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1st7 h LYS 50 CO -0.30 0.80 -0.19 -0.44 -0.57 0.00 0.00 179.45 178.75 1st7 h ASP 51 N 0.72 1.03 -0.67 0.86 3.32 -1.84 -2.88 116.42 116.96 1st7 h ASP 51 Ca 0.16 -0.38 0.05 0.00 0.02 0.00 0.00 57.03 56.88 1st7 h ASP 51 Cb 0.34 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.56 1st7 h ASP 51 CO 0.00 1.18 0.38 0.03 -1.72 0.00 0.00 179.24 179.11 1st7 h ARG 52 N 0.88 0.70 -0.08 3.56 3.08 -0.96 0.69 114.38 122.24 1st7 h ARG 52 Ca 0.12 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.13 1st7 h ARG 52 Cb 0.77 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 1st7 h ARG 52 CO 0.06 0.46 0.03 1.88 -1.07 0.00 0.00 179.97 181.33 1st7 h TYR 53 N 0.72 0.05 -0.06 3.04 0.05 -1.31 0.87 116.97 120.34 1st7 h TYR 53 Ca 0.29 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.91 1st7 h TYR 53 Cb 0.14 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 37.86 1st7 h TYR 53 CO -0.07 0.03 -0.67 1.57 -1.05 0.00 0.00 178.16 177.97 1st7 h LYS 54 N 0.07 0.27 -0.24 4.88 2.10 -1.41 -1.53 116.57 120.70 1st7 h LYS 54 Ca 0.03 -0.21 -0.16 0.00 -2.00 0.00 0.00 60.65 58.31 1st7 h LYS 54 Cb 0.01 0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 31.38 1st7 h LYS 54 CO -0.03 0.84 -0.50 2.35 -2.00 0.00 0.00 179.45 180.12 1st7 h TRP 55 N 0.19 0.83 -0.14 0.07 7.01 -0.75 -2.40 115.95 120.75 1st7 h TRP 55 Ca -0.02 -0.28 -0.11 0.00 2.11 0.00 0.00 58.89 60.59 1st7 h TRP 55 Cb 1.22 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 28.10 1st7 h TRP 55 CO 0.03 1.03 -0.40 0.93 -2.79 0.00 0.00 178.44 177.24 1st7 h GLU 56 N 0.53 0.32 0.00 2.65 5.08 -0.78 0.36 114.58 122.74 1st7 h GLU 56 Ca 0.02 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 1st7 h GLU 56 Cb 1.05 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.30 1st7 h GLU 56 CO 0.10 0.68 -0.09 0.00 -1.00 0.00 0.00 179.01 178.70 1st7 h ALA 57 N 1.31 1.23 0.00 3.43 0.00 -1.11 -1.78 119.26 122.34 1st7 h ALA 57 Ca 0.02 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1st7 h ALA 57 Cb 0.83 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1st7 h ALA 57 CO 0.07 0.11 -0.36 2.35 0.00 0.00 0.00 179.25 181.42 1st7 h TRP 58 N 0.00 0.00 -0.24 0.00 7.01 -0.91 -3.37 115.95 118.44 1st7 h TRP 58 Ca -0.00 0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.07 1st7 h TRP 58 Cb 0.31 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.36 1st7 h TRP 58 CO 0.00 0.66 0.31 1.49 -2.79 0.00 0.00 178.44 178.12 1st7 h GLU 59 N -1.00 0.00 -0.44 2.65 4.57 -0.86 0.14 114.58 119.64 1st7 h GLU 59 Ca -0.08 0.00 0.08 0.00 -1.18 0.00 0.00 59.36 58.19 1st7 h GLU 59 Cb 0.71 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.27 1st7 h GLU 59 CO -0.05 0.00 0.30 -0.91 -1.18 0.00 0.00 179.01 177.18 1st7 h ASN 60 N 0.00 0.22 -0.87 1.04 2.35 -1.49 -2.67 115.58 114.15 1st7 h ASN 60 Ca 0.11 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 55.29 1st7 h ASN 60 Cb 0.74 -0.04 -0.41 0.00 0.05 0.00 0.00 38.32 38.66 1st7 h ASN 60 CO -0.00 0.14 -0.54 0.18 -1.65 0.00 0.00 177.43 175.55 1st7 n LEU 61 N -4.46 5.34 -0.05 1.61 4.32 0.47 -4.85 117.00 119.39 1st7 n LEU 61 Ca 0.06 -4.73 0.25 0.00 -0.02 0.00 0.00 56.01 51.58 1st7 n LEU 61 Cb 0.34 -0.45 0.70 0.00 -1.62 0.00 0.00 43.42 42.38 1st7 n LEU 61 CO 0.35 2.03 1.23 0.07 -1.22 0.00 0.00 177.39 179.84 1st7 h LYS 62 N 2.20 0.00 0.00 3.23 2.10 -1.41 -3.15 116.57 119.54 1st7 h LYS 62 Ca 0.40 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.97 1st7 h LYS 62 Cb 1.36 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.68 1st7 h LYS 62 CO 0.90 0.00 -1.29 0.41 -2.00 0.00 0.00 179.45 177.46 1st7 n GLY 63 N -1.59 -0.08 1.45 0.07 0.00 -1.26 -1.42 105.19 102.36 1st7 n GLY 63 Ca 0.14 -0.03 0.07 0.00 0.00 0.00 0.00 46.02 46.20 1st7 n GLY 63 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1st7 n LYS 64 N -2.94 3.55 -0.28 1.61 2.85 -1.25 -4.66 118.16 117.04 1st7 n LYS 64 Ca -0.10 -2.41 0.02 0.00 -1.05 0.00 0.00 58.31 54.77 1st7 n LYS 64 Cb 0.58 -1.90 0.09 0.00 -0.65 0.00 0.00 35.03 33.16 1st7 n LYS 64 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 177.40 178.12 1st7 h SER 65 N 3.32 -0.81 0.90 -5.58 0.02 -1.77 -0.39 113.55 109.24 1st7 h SER 65 Ca 0.00 0.24 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1st7 h SER 65 Cb 1.39 0.51 0.00 0.00 0.14 0.00 0.00 62.40 64.44 1st7 h SER 65 CO 0.26 -0.27 0.00 0.00 -1.14 0.00 0.00 176.83 175.68 1st7 n GLN 66 N -5.51 0.03 -0.09 3.45 6.02 -1.26 -0.88 117.38 119.14 1st7 n GLN 66 Ca 0.11 0.10 -0.19 0.00 -0.01 0.00 0.00 57.00 57.01 1st7 n GLN 66 Cb 0.40 -1.55 -0.12 0.00 1.02 0.00 0.00 30.24 30.00 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 0.00 0.00 -1.09 4.39 -1.46 -3.41 114.58 113.02 1st7 h GLU 67 Ca 0.00 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.42 1st7 h GLU 67 Cb 0.45 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.05 1st7 h GLU 67 CO 0.00 0.97 -1.77 -0.25 -1.16 0.00 0.00 179.01 176.81 1st7 n ASP 68 N -4.50 0.74 0.30 1.42 8.00 -0.83 -4.14 116.55 117.54 1st7 n ASP 68 Ca -0.24 0.35 -0.16 0.00 0.71 0.00 0.00 54.79 55.45 1st7 n ASP 68 Cb 0.60 0.14 -0.09 0.00 -0.02 0.00 0.00 41.12 41.75 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 1.07 -1.15 -1.22 2.24 0.00 -1.26 -2.81 119.26 116.13 1st7 h ALA 69 Ca -0.30 -0.19 0.35 0.00 0.00 0.00 0.00 54.91 54.77 1st7 h ALA 69 Cb 1.98 0.62 -0.07 0.00 0.00 0.00 0.00 17.79 20.32 1st7 h ALA 69 CO 0.07 -1.15 0.85 1.05 0.00 0.00 0.00 179.25 180.07 1st7 h GLU 70 N -0.94 0.10 0.07 0.00 4.11 -1.78 0.28 114.58 116.42 1st7 h GLU 70 Ca -0.07 -0.01 -0.29 0.00 0.07 0.00 0.00 59.36 59.07 1st7 h GLU 70 Cb 0.79 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 1st7 h GLU 70 CO -0.00 0.07 -1.50 0.87 0.07 0.00 0.00 179.01 178.52 1st7 h LYS 71 N 0.11 0.14 0.05 1.06 1.79 -1.69 -3.24 116.57 114.78 1st7 h LYS 71 Ca 0.62 -0.24 -0.28 0.00 -2.18 0.00 0.00 60.65 58.58 1st7 h LYS 71 Cb 2.22 0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 32.93 1st7 h LYS 71 CO -0.12 0.94 -1.44 0.93 -1.08 0.00 0.00 179.45 178.68 1st7 h GLU 72 N 0.04 0.10 -0.25 3.15 4.39 -1.19 -3.40 114.58 117.42 1st7 h GLU 72 Ca -0.22 -0.17 -0.02 0.00 0.34 0.00 0.00 59.36 59.29 1st7 h GLU 72 Cb 1.97 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 30.67 1st7 h GLU 72 CO 0.13 0.90 0.08 -0.92 -1.16 0.00 0.00 179.01 178.04 1st7 h TYR 73 N 0.03 0.41 -0.95 4.33 3.20 -0.55 -2.41 116.97 121.02 1st7 h TYR 73 Ca -0.19 -0.04 0.12 0.00 3.14 0.00 0.00 58.73 61.76 1st7 h TYR 73 Cb 1.94 -0.12 -0.14 0.00 1.54 0.00 0.00 36.73 39.96 1st7 h TYR 73 CO 0.03 0.45 -0.45 1.51 -1.64 0.00 0.00 178.16 178.06 1st7 n ILE 74 N -4.75 -0.56 0.11 1.81 3.06 -1.22 -0.57 119.36 117.24 1st7 n ILE 74 Ca -0.03 2.26 -0.04 0.00 -2.50 0.00 0.00 62.75 62.44 1st7 n ILE 74 Cb 0.16 -2.90 0.13 0.00 0.54 0.00 0.00 39.64 37.56 1st7 n ILE 74 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1st7 h ALA 75 N 0.98 0.88 0.41 1.51 0.00 -1.70 -1.30 119.26 120.04 1st7 h ALA 75 Ca 0.26 -0.57 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1st7 h ALA 75 Cb 0.50 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1st7 h ALA 75 CO -0.92 0.77 -0.20 -0.07 0.00 0.00 0.00 179.25 178.83 1st7 h LEU 76 N 0.09 -0.47 -1.05 0.00 3.38 -1.03 -3.28 115.31 112.94 1st7 h LEU 76 Ca -0.01 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 1st7 h LEU 76 Cb 1.14 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 1st7 h LEU 76 CO 0.09 -0.15 -0.28 0.58 0.09 0.00 0.00 178.44 178.77 1st7 h VAL 77 N -0.82 0.69 -0.31 1.22 2.07 -0.78 -1.72 116.25 116.59 1st7 h VAL 77 Ca -0.06 -1.28 -0.07 0.00 0.82 0.00 0.00 66.70 66.12 1st7 h VAL 77 Cb 0.55 1.83 -0.02 0.00 -1.52 0.00 0.00 31.29 32.12 1st7 h VAL 77 CO 0.09 0.28 -0.09 -0.78 0.02 0.00 0.00 177.57 177.09 1st7 h ASP 78 N 0.00 0.50 1.13 0.57 3.58 -1.33 0.24 116.42 121.11 1st7 h ASP 78 Ca -0.00 -0.12 -0.12 0.00 0.42 0.00 0.00 57.03 57.21 1st7 h ASP 78 Cb 0.80 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.70 1st7 h ASP 78 CO 0.04 0.63 -0.56 1.56 -2.88 0.00 0.00 179.24 178.03 1st7 h GLN 79 N 0.48 0.00 0.52 0.28 4.20 -1.40 -2.09 115.11 117.09 1st7 h GLN 79 Ca 0.09 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.78 1st7 h GLN 79 Cb 0.46 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.24 1st7 h GLN 79 CO 0.02 0.56 -0.25 -0.07 -0.67 0.00 0.00 178.83 178.42 1st7 h LEU 80 N 0.00 -0.59 -0.86 1.46 4.07 -0.86 -3.28 115.31 115.25 1st7 h LEU 80 Ca -0.01 0.02 0.05 0.00 0.08 0.00 0.00 57.88 58.03 1st7 h LEU 80 Cb 1.27 0.15 -0.06 0.00 1.08 0.00 0.00 40.66 43.10 1st7 h LEU 80 CO 0.07 -0.27 0.54 0.40 -1.08 0.00 0.00 178.44 178.11 1st7 h ILE 81 N -1.01 1.07 -0.43 1.22 1.08 -0.57 0.43 117.51 119.30 1st7 h ILE 81 Ca -0.07 -0.34 0.06 0.00 -0.39 0.00 0.00 64.86 64.12 1st7 h ILE 81 Cb 0.53 -0.02 -0.02 0.00 -3.07 0.00 0.00 36.82 34.24 1st7 h ILE 81 CO 0.12 0.18 0.29 0.00 -0.69 0.00 0.00 178.15 178.05 1st7 h ALA 82 N 1.39 2.01 0.10 1.87 0.00 -1.52 0.14 119.26 123.24 1st7 h ALA 82 Ca 0.37 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.94 1st7 h ALA 82 Cb 0.13 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1st7 h ALA 82 CO -0.16 -0.09 -1.71 -0.22 0.00 0.00 0.00 179.25 177.07 1st7 h LYS 83 N 0.31 0.21 0.00 0.00 3.64 -1.25 -3.43 116.57 116.04 1st7 h LYS 83 Ca 0.19 -0.36 -0.06 0.00 -1.27 0.00 0.00 60.65 59.15 1st7 h LYS 83 Cb 0.36 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1st7 h LYS 83 CO -0.04 1.03 -1.89 0.66 -2.27 0.00 0.00 179.45 176.94 1st7 n TYR 84 N -3.39 0.00 -0.38 1.91 4.01 0.14 -4.53 117.16 114.92 1st7 n TYR 84 Ca -0.21 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.50 1st7 n TYR 84 Cb 1.05 -0.49 0.02 0.00 -0.31 0.00 0.00 39.34 39.60 1st7 n TYR 84 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1st7 n SER 85 N -2.22 -0.69 0.00 7.72 2.88 0.40 -3.80 113.62 117.91 1st7 n SER 85 Ca -0.08 1.70 0.00 0.00 -1.33 0.00 0.00 58.87 59.16 1st7 n SER 85 Cb 0.58 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.68 1st7 n SER 85 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27