#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a56 h ALA 2 N 0.00 -0.86 -0.29 2.12 0.00 -1.99 0.68 119.26 118.92 1a56 h ALA 2 Ca 0.00 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 54.95 1a56 h ALA 2 Cb 0.00 1.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1a56 h ALA 2 CO 0.00 -1.05 0.32 0.22 0.00 0.00 0.00 179.25 178.73 1a56 h ASP 3 N -0.53 0.00 0.09 0.00 1.82 -2.03 0.18 116.42 115.95 1a56 h ASP 3 Ca 0.03 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.67 1a56 h ASP 3 Cb 0.63 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.64 1a56 h ASP 3 CO -0.43 0.00 -0.04 -0.07 -1.61 0.00 0.00 179.24 177.08 1a56 h LEU 4 N 0.00 -0.10 -0.71 2.28 3.38 -0.14 1.60 115.31 121.63 1a56 h LEU 4 Ca 0.14 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.25 1a56 h LEU 4 Cb 0.77 0.03 -0.09 0.00 0.09 0.00 0.00 40.66 41.45 1a56 h LEU 4 CO -0.00 -0.02 0.23 0.00 0.09 0.00 0.00 178.44 178.74 1a56 h ALA 5 N -1.84 0.94 -0.63 1.53 0.00 -0.75 0.50 119.26 119.02 1a56 h ALA 5 Ca -0.01 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1a56 h ALA 5 Cb 0.09 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1a56 h ALA 5 CO 0.02 -0.26 0.32 -0.22 0.00 0.00 0.00 179.25 179.11 1a56 h LYS 6 N 0.36 0.89 -0.86 0.00 3.64 -0.71 0.39 116.57 120.28 1a56 h LYS 6 Ca 0.39 -0.12 0.22 0.00 -1.27 0.00 0.00 60.65 59.86 1a56 h LYS 6 Cb 0.59 -0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 32.20 1a56 h LYS 6 CO -0.42 0.70 0.59 0.87 -2.27 0.00 0.00 179.45 178.91 1a56 h LYS 7 N 0.85 0.22 0.00 1.90 1.57 0.71 -3.35 116.57 118.48 1a56 h LYS 7 Ca 0.22 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1a56 h LYS 7 Cb 0.08 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1a56 h LYS 7 CO -0.03 0.15 0.00 0.09 -0.57 0.00 0.00 179.45 179.09 1a56 n ASN 8 N -4.42 0.00 0.00 0.86 3.02 0.08 -5.04 115.26 109.76 1a56 n ASN 8 Ca 0.18 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.73 1a56 n ASN 8 Cb 0.78 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.95 1a56 n ASN 8 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1a56 n ASN 9 N -0.18 0.00 -0.31 6.41 0.23 0.12 -4.84 115.26 116.68 1a56 n ASN 9 Ca 0.00 0.00 -0.07 0.00 -0.53 0.00 0.00 54.58 53.98 1a56 n ASN 9 Cb 0.00 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 37.66 1a56 n ASN 9 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1a56 h ILE 11 N -0.11 0.83 -0.75 0.00 1.08 -1.66 0.67 117.51 117.57 1a56 h ILE 11 Ca 0.22 -0.70 0.17 0.00 -0.39 0.00 0.00 64.86 64.16 1a56 h ILE 11 Cb 0.53 1.42 -0.13 0.00 -3.07 0.00 0.00 36.82 35.57 1a56 h ILE 11 CO -0.84 0.18 0.03 0.00 -0.69 0.00 0.00 178.15 176.83 1a56 h ALA 12 N 1.82 0.81 0.00 1.87 0.00 0.35 -2.42 119.26 121.69 1a56 h ALA 12 Ca -0.00 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1a56 h ALA 12 Cb 0.40 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1a56 h ALA 12 CO 0.02 -0.42 -0.00 0.00 0.00 0.00 0.00 179.25 178.85 1a56 s HIS 14 N -1.22 1.51 0.00 0.00 4.02 0.23 -3.83 115.29 116.01 1a56 s HIS 14 Ca 0.04 -1.66 0.00 0.00 1.02 0.00 0.00 55.06 54.46 1a56 s HIS 14 Cb 0.04 -1.60 0.00 0.00 -1.02 0.00 0.00 32.58 30.00 1a56 s HIS 14 CO 0.00 -0.87 0.00 0.94 1.02 0.00 0.00 174.74 175.84 1a56 n GLN 15 N 4.80 0.12 -0.01 1.40 7.27 -1.11 -3.86 117.38 125.99 1a56 n GLN 15 Ca -0.01 0.00 -0.21 0.00 0.07 0.00 0.00 57.00 56.84 1a56 n GLN 15 Cb 0.41 0.00 -0.14 0.00 2.41 0.00 0.00 30.24 32.93 1a56 n GLN 15 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1a56 n VAL 16 N -1.73 1.76 0.00 1.69 0.31 -1.26 -0.62 118.33 118.48 1a56 n VAL 16 Ca 0.00 -0.59 0.00 0.00 -0.01 0.00 0.00 64.34 63.74 1a56 n VAL 16 Cb 0.00 -1.77 0.00 0.00 -0.91 0.00 0.00 33.84 31.16 1a56 n VAL 16 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1a56 n GLU 17 N -3.58 2.87 -4.03 5.55 2.13 -1.26 -2.47 120.64 119.85 1a56 n GLU 17 Ca -0.32 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.28 1a56 n GLU 17 Cb 1.01 -0.95 -0.03 0.00 0.27 0.00 0.00 31.44 31.74 1a56 n GLU 17 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1a56 s THR 18 N -1.90 4.90 0.18 6.31 -4.23 -1.26 -4.84 115.64 114.79 1a56 s THR 18 Ca 0.00 -1.12 0.07 0.00 -1.18 0.00 0.00 61.69 59.47 1a56 s THR 18 Cb 0.00 -3.63 -0.04 0.00 1.34 0.00 0.00 72.50 70.17 1a56 s THR 18 CO 0.00 -0.29 -0.15 -1.59 -0.54 0.00 0.00 174.62 172.05 1a56 s LYS 19 N -3.76 1.23 0.06 3.99 0.00 -1.26 -2.77 119.74 117.23 1a56 s LYS 19 Ca 0.33 -1.48 -0.01 0.00 0.00 0.00 0.00 55.97 54.82 1a56 s LYS 19 Cb -0.09 -1.07 -0.00 0.00 0.00 0.00 0.00 37.83 36.67 1a56 s LYS 19 CO 0.27 0.19 -0.02 1.33 0.00 0.00 0.00 175.35 177.11 1a56 n VAL 20 N -0.06 0.99 -0.04 1.79 0.24 -1.25 -4.96 118.33 115.03 1a56 n VAL 20 Ca -0.11 0.31 -0.03 0.00 -2.04 0.00 0.00 64.34 62.47 1a56 n VAL 20 Cb 0.59 -1.52 -0.01 0.00 -1.47 0.00 0.00 33.84 31.43 1a56 n VAL 20 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1a56 n VAL 21 N -3.35 0.81 -0.79 3.34 0.31 -1.25 -5.03 118.33 112.38 1a56 n VAL 21 Ca -0.01 0.33 0.00 0.00 -0.01 0.00 0.00 64.34 64.65 1a56 n VAL 21 Cb 0.03 -2.00 0.00 0.00 -0.91 0.00 0.00 33.84 30.97 1a56 n VAL 21 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1a56 n GLY 22 N 1.61 1.98 3.86 2.92 0.00 -1.25 -3.91 105.19 110.40 1a56 n GLY 22 Ca -0.05 -1.86 -0.31 0.00 0.00 0.00 0.00 46.02 43.79 1a56 n GLY 22 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1a56 s PRO 23 N 4.20 3.67 0.90 1.61 0.04 -1.26 -4.74 135.00 139.42 1a56 s PRO 23 Ca 0.00 0.85 -0.15 0.00 0.04 0.00 0.00 61.00 61.73 1a56 s PRO 23 Cb 0.00 -2.09 0.22 0.00 0.04 0.00 0.00 34.50 32.67 1a56 s PRO 23 CO 0.00 -0.50 0.90 0.00 0.04 0.00 0.00 177.00 177.44 1a56 n ALA 24 N -2.35 -2.24 -0.06 8.56 0.00 -1.26 -4.67 120.51 118.49 1a56 n ALA 24 Ca 0.06 -1.29 -0.05 0.00 0.00 0.00 0.00 53.44 52.16 1a56 n ALA 24 Cb 0.54 -0.08 -0.03 0.00 0.00 0.00 0.00 19.45 19.87 1a56 n ALA 24 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1a56 h LEU 25 N 0.00 0.00 -1.85 0.00 3.38 -1.02 -2.82 115.31 112.99 1a56 h LEU 25 Ca -0.32 -0.19 0.41 0.00 0.09 0.00 0.00 57.88 57.87 1a56 h LEU 25 Cb 0.96 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.64 1a56 h LEU 25 CO 0.22 0.73 1.00 0.07 0.09 0.00 0.00 178.44 180.54 1a56 h LYS 26 N -1.00 0.05 0.00 1.13 2.10 -1.68 -0.18 116.57 116.99 1a56 h LYS 26 Ca -0.03 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 1a56 h LYS 26 Cb 0.40 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.72 1a56 h LYS 26 CO -0.02 0.03 -0.04 -0.44 -2.00 0.00 0.00 179.45 176.98 1a56 h ASP 27 N 0.05 0.00 -0.93 7.07 5.19 -1.81 -1.87 116.42 124.12 1a56 h ASP 27 Ca 0.71 0.00 0.27 0.00 -0.62 0.00 0.00 57.03 57.39 1a56 h ASP 27 Cb 2.66 0.00 -0.16 0.00 0.18 0.00 0.00 39.33 42.01 1a56 h ASP 27 CO -0.09 0.46 0.18 0.40 -3.12 0.00 0.00 179.24 177.06 1a56 h ILE 28 N -0.87 0.17 0.54 0.35 2.04 -1.05 1.92 117.51 120.61 1a56 h ILE 28 Ca 0.00 -0.04 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 1a56 h ILE 28 Cb 0.04 0.06 0.01 0.00 -0.74 0.00 0.00 36.82 36.19 1a56 h ILE 28 CO 0.00 0.02 -0.26 0.00 0.00 0.00 0.00 178.15 177.91 1a56 h ALA 29 N 1.88 -0.73 0.00 1.87 0.00 -1.18 -1.77 119.26 119.33 1a56 h ALA 29 Ca 0.60 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1a56 h ALA 29 Cb 1.27 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1a56 h ALA 29 CO -0.77 -0.76 0.00 0.00 0.00 0.00 0.00 179.25 177.72 1a56 n ALA 30 N -2.59 1.44 -0.07 0.00 0.00 0.14 0.11 120.51 119.55 1a56 n ALA 30 Ca -0.11 -0.03 -0.17 0.00 0.00 0.00 0.00 53.44 53.12 1a56 n ALA 30 Cb 0.33 -1.14 -0.13 0.00 0.00 0.00 0.00 19.45 18.51 1a56 n ALA 30 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1a56 h LYS 31 N 0.00 0.04 0.00 0.00 3.64 0.34 -3.43 116.57 117.15 1a56 h LYS 31 Ca 0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1a56 h LYS 31 Cb 0.12 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1a56 h LYS 31 CO 0.00 1.03 -0.38 0.66 -2.27 0.00 0.00 179.45 178.49 1a56 n TYR 32 N -4.48 0.00 -0.92 1.91 4.01 -0.71 -4.80 117.16 112.18 1a56 n TYR 32 Ca -0.18 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.40 1a56 n TYR 32 Cb 0.59 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.64 1a56 n TYR 32 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1a56 n ALA 33 N -0.93 5.18 -0.21 -0.72 0.00 0.31 -3.79 120.51 120.35 1a56 n ALA 33 Ca 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 53.44 51.78 1a56 n ALA 33 Cb 0.14 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.15 1a56 n ALA 33 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1a56 n ASP 34 N 0.54 0.97 0.00 0.00 -0.08 -0.71 -4.56 116.55 112.71 1a56 n ASP 34 Ca 0.30 -1.18 0.00 0.00 -1.51 0.00 0.00 54.79 52.40 1a56 n ASP 34 Cb 0.58 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.04 1a56 n ASP 34 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1a56 n LYS 35 N -0.09 0.00 0.00 -0.67 4.76 -1.25 -5.08 118.16 115.84 1a56 n LYS 35 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1a56 n LYS 35 Cb 0.11 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.30 1a56 n LYS 35 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1a56 n ASP 36 N 0.00 0.00 -1.62 4.39 -0.08 -1.26 -4.84 116.55 113.14 1a56 n ASP 36 Ca 0.00 0.00 -0.11 0.00 -1.51 0.00 0.00 54.79 53.17 1a56 n ASP 36 Cb 0.00 0.00 0.05 0.00 2.34 0.00 0.00 41.12 43.51 1a56 n ASP 36 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1a56 n ASP 37 N 0.00 4.53 0.17 1.67 5.75 -1.26 -4.46 116.55 122.95 1a56 n ASP 37 Ca 0.00 -2.75 0.17 0.00 -0.01 0.00 0.00 54.79 52.20 1a56 n ASP 37 Cb 0.00 -0.82 0.62 0.00 -1.03 0.00 0.00 41.12 39.89 1a56 n ASP 37 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1a56 h ALA 38 N 1.52 1.94 0.19 2.12 0.00 -1.88 0.48 119.26 123.63 1a56 h ALA 38 Ca 0.24 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1a56 h ALA 38 Cb 1.38 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.16 1a56 h ALA 38 CO 0.50 -0.75 -0.33 0.00 0.00 0.00 0.00 179.25 178.68 1a56 h ALA 39 N 1.08 -0.61 -0.11 0.00 0.00 -1.86 0.99 119.26 118.74 1a56 h ALA 39 Ca 0.14 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1a56 h ALA 39 Cb 1.33 0.52 -0.00 0.00 0.00 0.00 0.00 17.79 19.63 1a56 h ALA 39 CO -0.00 -0.90 -0.11 1.79 0.00 0.00 0.00 179.25 180.03 1a56 h THR 40 N -0.60 1.36 0.00 0.00 1.35 -1.31 0.26 112.91 113.97 1a56 h THR 40 Ca 0.01 -1.26 0.01 0.00 -0.55 0.00 0.00 66.41 64.62 1a56 h THR 40 Cb 0.60 1.94 -0.02 0.00 -1.73 0.00 0.00 68.15 68.93 1a56 h THR 40 CO -0.15 0.36 -0.22 0.22 -0.25 0.00 0.00 175.52 175.49 1a56 h TYR 41 N -0.13 -0.64 -0.83 4.73 5.03 -1.16 0.20 116.97 124.18 1a56 h TYR 41 Ca 0.02 0.02 0.15 0.00 2.58 0.00 0.00 58.73 61.50 1a56 h TYR 41 Cb 0.63 0.28 -0.06 0.00 1.55 0.00 0.00 36.73 39.13 1a56 h TYR 41 CO 0.09 -0.23 0.54 -0.07 -1.32 0.00 0.00 178.16 177.16 1a56 h LEU 42 N -0.28 0.50 -1.99 2.82 3.38 0.97 2.57 115.31 123.29 1a56 h LEU 42 Ca 0.00 0.03 0.22 0.00 0.09 0.00 0.00 57.88 58.22 1a56 h LEU 42 Cb 0.29 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1a56 h LEU 42 CO -0.14 0.25 0.56 0.00 0.09 0.00 0.00 178.44 179.20 1a56 h ALA 43 N 1.62 2.68 -0.16 1.53 0.00 0.25 2.35 119.26 127.52 1a56 h ALA 43 Ca 0.41 -0.03 -0.21 0.00 0.00 0.00 0.00 54.91 55.08 1a56 h ALA 43 Cb 0.83 0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.68 1a56 h ALA 43 CO -0.16 -0.95 -0.74 0.78 0.00 0.00 0.00 179.25 178.18 1a56 h GLY 44 N 0.00 0.83 1.26 0.00 0.00 0.64 -2.33 103.07 103.47 1a56 h GLY 44 Ca 0.36 -1.15 -0.08 0.00 0.00 0.00 0.00 47.33 46.46 1a56 h GLY 44 CO -0.00 1.02 0.01 0.50 0.00 0.00 0.00 176.54 178.06 1a56 h LYS 45 N 0.53 0.90 0.84 4.80 1.57 0.41 0.06 116.57 125.67 1a56 h LYS 45 Ca -0.04 -0.25 -0.04 0.00 -1.87 0.00 0.00 60.65 58.45 1a56 h LYS 45 Cb 1.36 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1a56 h LYS 45 CO 0.15 0.89 -0.47 0.82 -0.57 0.00 0.00 179.45 180.27 1a56 h ILE 46 N 0.83 0.06 -0.13 1.86 2.04 0.11 0.79 117.51 123.07 1a56 h ILE 46 Ca 0.16 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.03 1a56 h ILE 46 Cb 0.49 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 1a56 h ILE 46 CO 0.02 0.00 0.09 0.50 0.00 0.00 0.00 178.15 178.76 1a56 h LYS 47 N -1.21 0.10 0.00 2.37 3.64 -1.35 0.16 116.57 120.28 1a56 h LYS 47 Ca -0.11 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1a56 h LYS 47 Cb 0.95 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 1a56 h LYS 47 CO 0.15 0.07 0.00 0.78 -2.27 0.00 0.00 179.45 178.18 1a56 h GLY 48 N 0.10 0.00 -1.08 5.01 0.00 -0.19 -3.42 103.07 103.48 1a56 h GLY 48 Ca 0.05 0.00 0.13 0.00 0.00 0.00 0.00 47.33 47.51 1a56 h GLY 48 CO -0.01 0.00 -0.24 0.61 0.00 0.00 0.00 176.54 176.90 1a56 n GLY 49 N 1.09 -1.85 3.11 4.60 0.00 0.27 -4.94 105.19 107.47 1a56 n GLY 49 Ca 0.05 -1.39 -0.14 0.00 0.00 0.00 0.00 46.02 44.53 1a56 n GLY 49 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1a56 s SER 50 N -4.79 1.15 0.00 1.61 0.15 -1.25 -4.76 113.70 105.81 1a56 s SER 50 Ca 0.00 -0.64 0.00 0.00 0.70 0.00 0.00 55.95 56.01 1a56 s SER 50 Cb 0.00 0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.33 1a56 s SER 50 CO 0.00 -0.20 0.00 -1.20 1.20 0.00 0.00 173.24 173.04 1a56 n SER 51 N 1.17 0.58 -0.98 5.45 7.64 -1.26 -3.00 113.62 123.21 1a56 n SER 51 Ca -0.21 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.71 1a56 n SER 51 Cb 0.55 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.81 1a56 n SER 51 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a56 n GLY 52 N 2.35 1.82 0.12 0.23 0.00 -1.26 -4.70 105.19 103.75 1a56 n GLY 52 Ca 0.00 -0.72 0.02 0.00 0.00 0.00 0.00 46.02 45.33 1a56 n GLY 52 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1a56 h VAL 53 N 5.52 0.63 0.00 1.61 2.07 -1.97 -3.42 116.25 120.68 1a56 h VAL 53 Ca -0.12 -2.00 0.00 0.00 0.82 0.00 0.00 66.70 65.41 1a56 h VAL 53 Cb 1.56 2.18 0.00 0.00 -1.52 0.00 0.00 31.29 33.51 1a56 h VAL 53 CO 0.05 0.36 -0.05 0.79 0.02 0.00 0.00 177.57 178.74 1a56 n TRP 54 N -3.05 0.00 0.00 1.57 7.02 -1.26 -5.06 117.44 116.66 1a56 n TRP 54 Ca -0.03 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.45 1a56 n TRP 54 Cb 0.75 -0.02 0.00 0.00 -2.42 0.00 0.00 31.31 29.62 1a56 n TRP 54 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1a56 n GLY 55 N 3.22 0.58 0.00 6.99 0.00 -1.26 -5.13 105.19 109.59 1a56 n GLY 55 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1a56 n GLY 55 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1a56 n GLN 56 N 0.00 1.53 -2.66 1.61 3.00 -1.26 -5.01 117.38 114.58 1a56 n GLN 56 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.66 1a56 n GLN 56 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 30.24 30.18 1a56 n GLN 56 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1a56 s ILE 57 N 0.01 4.41 0.03 5.09 1.09 -1.25 -4.97 121.20 125.61 1a56 s ILE 57 Ca 0.00 1.38 -0.30 0.00 -1.10 0.00 0.00 60.65 60.63 1a56 s ILE 57 Cb 0.00 -3.63 -0.07 0.00 -1.06 0.00 0.00 42.46 37.70 1a56 s ILE 57 CO 0.00 -0.44 1.51 -2.16 -0.10 0.00 0.00 174.94 173.75 1a56 s PRO 58 N -3.48 4.25 0.20 2.79 0.04 -1.26 -4.78 135.00 132.76 1a56 s PRO 58 Ca 0.61 2.13 -0.22 0.00 0.04 0.00 0.00 61.00 63.57 1a56 s PRO 58 Cb -0.10 -3.57 -0.08 0.00 0.04 0.00 0.00 34.50 30.79 1a56 s PRO 58 CO 0.19 -0.64 0.75 1.41 0.04 0.00 0.00 177.00 178.75 1a56 s MET 59 N 2.46 4.36 1.08 4.56 1.75 -1.16 -4.97 119.30 127.38 1a56 s MET 59 Ca 0.68 0.98 -0.17 0.00 -1.25 0.00 0.00 55.69 55.93 1a56 s MET 59 Cb -0.35 -3.00 0.23 0.00 2.84 0.00 0.00 34.83 34.55 1a56 s MET 59 CO 0.29 0.45 1.16 -1.25 -0.65 0.00 0.00 175.02 175.02 1a56 s PRO 60 N -1.69 -0.25 -0.92 4.11 0.04 -1.26 -3.86 135.00 131.16 1a56 s PRO 60 Ca 0.41 -0.02 -0.24 0.00 0.04 0.00 0.00 61.00 61.19 1a56 s PRO 60 Cb -0.19 -1.71 -0.01 0.00 0.04 0.00 0.00 34.50 32.63 1a56 s PRO 60 CO 0.23 -3.08 1.77 -1.25 0.04 0.00 0.00 177.00 174.71 1a56 s PRO 61 N -5.44 2.91 -0.26 0.56 0.04 -1.26 -4.63 135.00 126.92 1a56 s PRO 61 Ca 0.70 -0.52 -0.02 0.00 0.04 0.00 0.00 61.00 61.20 1a56 s PRO 61 Cb -0.10 -5.11 0.08 0.00 0.04 0.00 0.00 34.50 29.41 1a56 s PRO 61 CO 0.55 -2.95 0.06 0.54 0.04 0.00 0.00 177.00 175.25 1a56 s ASN 62 N 6.96 3.55 0.00 6.66 2.20 -1.26 -5.00 114.94 128.05 1a56 s ASN 62 Ca 0.61 -1.26 0.00 0.00 -0.94 0.00 0.00 52.86 51.28 1a56 s ASN 62 Cb -0.05 -0.76 0.00 0.00 -2.00 0.00 0.00 41.25 38.45 1a56 s ASN 62 CO -0.03 -0.36 0.61 0.52 -2.94 0.00 0.00 177.10 174.91 1a56 n VAL 63 N 4.94 0.00 0.21 3.54 0.31 -1.26 -4.35 118.33 121.71 1a56 n VAL 63 Ca -0.06 1.07 0.00 0.00 -0.01 0.00 0.00 64.34 65.34 1a56 n VAL 63 Cb 0.44 -1.99 0.00 0.00 -0.91 0.00 0.00 33.84 31.38 1a56 n VAL 63 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1a56 n ASN 64 N -1.58 -3.08 0.00 4.52 4.05 -1.26 -4.75 115.26 113.16 1a56 n ASN 64 Ca 0.00 0.78 0.00 0.00 0.45 0.00 0.00 54.58 55.81 1a56 n ASN 64 Cb 0.00 2.93 0.00 0.00 1.23 0.00 0.00 39.78 43.94 1a56 n ASN 64 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 177.26 174.73 1a56 n VAL 65 N -3.43 0.00 0.00 3.44 0.31 -1.26 -4.76 118.33 112.63 1a56 n VAL 65 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1a56 n VAL 65 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1a56 n VAL 65 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1a56 n SER 66 N -0.73 0.00 0.00 4.52 7.64 -1.26 -4.83 113.62 118.97 1a56 n SER 66 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1a56 n SER 66 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1a56 n SER 66 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1a56 n ASP 67 N 0.00 0.00 -0.02 6.43 8.00 -1.26 -4.11 116.55 125.59 1a56 n ASP 67 Ca 0.00 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.37 1a56 n ASP 67 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.00 1a56 n ASP 67 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a56 h ALA 68 N -2.00 0.03 -0.71 2.24 0.00 -1.99 -2.07 119.26 114.75 1a56 h ALA 68 Ca 0.00 -0.27 0.16 0.00 0.00 0.00 0.00 54.91 54.80 1a56 h ALA 68 Cb 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 17.66 1a56 h ALA 68 CO 0.00 -0.19 0.01 -0.44 0.00 0.00 0.00 179.25 178.63 1a56 h ASP 69 N -0.44 -0.31 0.39 0.00 3.32 -1.98 0.42 116.42 117.82 1a56 h ASP 69 Ca 0.00 0.18 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 1a56 h ASP 69 Cb 0.54 0.32 0.00 0.00 0.22 0.00 0.00 39.33 40.41 1a56 h ASP 69 CO 0.01 -0.15 -0.19 0.00 -1.72 0.00 0.00 179.24 177.18 1a56 h ALA 70 N 1.66 -0.53 -1.00 3.45 0.00 -1.70 -1.34 119.26 119.80 1a56 h ALA 70 Ca 0.39 -0.16 0.20 0.00 0.00 0.00 0.00 54.91 55.34 1a56 h ALA 70 Cb 0.66 0.20 -0.11 0.00 0.00 0.00 0.00 17.79 18.55 1a56 h ALA 70 CO -0.62 -0.72 0.61 -0.22 0.00 0.00 0.00 179.25 178.30 1a56 h LYS 71 N -0.68 0.70 -0.59 0.00 3.64 -0.46 0.25 116.57 119.43 1a56 h LYS 71 Ca -0.05 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.27 1a56 h LYS 71 Cb 0.49 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 1a56 h LYS 71 CO 0.09 0.46 0.30 0.00 -2.27 0.00 0.00 179.45 178.03 1a56 h ALA 72 N 1.66 0.75 0.84 5.00 0.00 0.21 -1.43 119.26 126.30 1a56 h ALA 72 Ca 0.59 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.35 1a56 h ALA 72 Cb 0.98 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.54 1a56 h ALA 72 CO -0.40 0.29 -0.40 -0.07 0.00 0.00 0.00 179.25 178.67 1a56 h LEU 73 N 0.79 -0.95 -0.80 0.00 3.38 0.59 0.36 115.31 118.68 1a56 h LEU 73 Ca 0.20 0.03 0.19 0.00 0.09 0.00 0.00 57.88 58.39 1a56 h LEU 73 Cb 0.08 0.25 -0.14 0.00 0.09 0.00 0.00 40.66 40.94 1a56 h LEU 73 CO -0.03 -0.67 0.04 0.00 0.09 0.00 0.00 178.44 177.88 1a56 h ALA 74 N -1.00 0.90 -0.36 1.53 0.00 -1.17 0.85 119.26 120.01 1a56 h ALA 74 Ca -0.11 0.25 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1a56 h ALA 74 Cb 0.87 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1a56 h ALA 74 CO 0.19 -0.44 0.23 -0.44 0.00 0.00 0.00 179.25 178.79 1a56 h ASP 75 N 0.11 0.39 -0.93 0.00 3.32 -0.80 0.46 116.42 118.98 1a56 h ASP 75 Ca 0.45 -0.01 0.26 0.00 0.02 0.00 0.00 57.03 57.75 1a56 h ASP 75 Cb 0.83 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 40.24 1a56 h ASP 75 CO -0.69 0.28 0.65 -0.25 -1.72 0.00 0.00 179.24 177.51 1a56 h TRP 76 N 0.47 0.14 0.36 4.55 7.01 0.48 0.36 115.95 129.32 1a56 h TRP 76 Ca 0.14 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.12 1a56 h TRP 76 Cb -0.04 -0.04 0.00 0.00 -2.10 0.00 0.00 29.16 26.98 1a56 h TRP 76 CO -0.06 0.03 -0.17 0.82 -2.79 0.00 0.00 178.44 176.27 1a56 h ILE 77 N 0.10 0.18 -1.35 2.65 2.04 0.84 1.31 117.51 123.28 1a56 h ILE 77 Ca 0.45 -0.69 0.39 0.00 1.00 0.00 0.00 64.86 66.01 1a56 h ILE 77 Cb 1.64 0.29 -0.06 0.00 -0.74 0.00 0.00 36.82 37.95 1a56 h ILE 77 CO -0.06 0.04 0.96 -0.07 0.00 0.00 0.00 178.15 179.02 1a56 h LEU 78 N -1.08 0.06 0.00 1.44 3.38 -0.45 2.20 115.31 120.86 1a56 h LEU 78 Ca -0.05 0.02 -0.27 0.00 0.09 0.00 0.00 57.88 57.67 1a56 h LEU 78 Cb 0.44 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 1a56 h LEU 78 CO 0.08 -0.00 -1.51 0.74 0.09 0.00 0.00 178.44 177.83 1a56 h THR 79 N 0.04 1.09 -1.04 0.22 2.02 -0.79 -3.30 112.91 111.15 1a56 h THR 79 Ca 0.66 -2.90 0.27 0.00 0.77 0.00 0.00 66.41 65.21 1a56 h THR 79 Cb 2.53 2.54 -0.11 0.00 -1.74 0.00 0.00 68.15 71.37 1a56 h THR 79 CO -0.06 0.63 0.64 -0.07 0.37 0.00 0.00 175.52 177.03 1a56 h LEU 80 N 0.00 0.55 0.00 2.58 3.38 1.38 -3.50 115.31 119.70 1a56 h LEU 80 Ca -0.21 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1a56 h LEU 80 Cb 1.95 0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.73 1a56 h LEU 80 CO 0.09 0.06 0.00 0.29 0.09 0.00 0.00 178.44 178.98