#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dl3 s SER 2 N 0.00 4.92 -1.04 1.61 0.01 -1.26 -3.32 113.70 114.62 2dl3 s SER 2 Ca 0.00 -1.02 -0.05 0.00 1.31 0.00 0.00 55.95 56.19 2dl3 s SER 2 Cb 0.00 -2.57 0.01 0.00 0.21 0.00 0.00 66.02 63.66 2dl3 s SER 2 CO 0.00 -3.06 0.90 -0.24 0.41 0.00 0.00 173.24 171.25 2dl3 n SER 3 N 14.77 -4.62 -1.82 2.44 2.88 -1.26 -4.50 113.62 121.51 2dl3 n SER 3 Ca 0.42 -0.44 -0.01 0.00 -1.33 0.00 0.00 58.87 57.51 2dl3 n SER 3 Cb 0.46 -4.09 -0.01 0.00 -0.75 0.00 0.00 64.21 59.83 2dl3 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dl3 n GLY 4 N -1.55 -4.24 3.90 0.46 0.00 -1.21 -5.03 105.19 97.53 2dl3 n GLY 4 Ca -0.05 0.15 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 2dl3 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dl3 s SER 5 N -0.31 6.13 -0.10 1.61 1.04 -1.26 -4.99 113.70 115.81 2dl3 s SER 5 Ca -0.06 0.97 -0.21 0.00 0.48 0.00 0.00 55.95 57.13 2dl3 s SER 5 Cb 0.00 -2.18 -0.18 0.00 0.10 0.00 0.00 66.02 63.77 2dl3 s SER 5 CO 0.16 -0.72 0.67 0.28 0.98 0.00 0.00 173.24 174.62 2dl3 h SER 6 N 0.06 -0.04 -3.97 7.02 0.02 -1.95 -3.46 113.55 111.23 2dl3 h SER 6 Ca -0.46 -0.60 -0.52 0.00 -0.84 0.00 0.00 61.79 59.36 2dl3 h SER 6 Cb 1.21 0.01 0.08 0.00 0.14 0.00 0.00 62.40 63.84 2dl3 h SER 6 CO 0.62 0.71 0.58 -0.83 -1.14 0.00 0.00 176.83 176.76 2dl3 s GLY 7 N -3.78 2.89 0.02 -3.77 0.00 -1.26 -4.73 107.32 96.69 2dl3 s GLY 7 Ca -0.13 1.16 0.07 0.00 0.00 0.00 0.00 44.72 45.81 2dl3 s GLY 7 CO 0.49 1.70 -0.19 0.50 0.00 0.00 0.00 173.10 175.61 2dl3 s ARG 8 N -2.40 2.13 0.07 2.90 0.52 -0.85 -4.79 118.95 116.53 2dl3 s ARG 8 Ca 0.60 -0.93 -0.31 0.00 -0.52 0.00 0.00 55.73 54.57 2dl3 s ARG 8 Cb -0.36 -2.19 -0.07 0.00 0.52 0.00 0.00 34.95 32.86 2dl3 s ARG 8 CO 0.45 0.56 1.39 -1.25 0.02 0.00 0.00 175.30 176.47 2dl3 s PRO 9 N -1.18 4.31 0.01 3.54 0.04 -1.26 -1.17 135.00 139.29 2dl3 s PRO 9 Ca 0.13 2.03 0.01 0.00 0.04 0.00 0.00 61.00 63.21 2dl3 s PRO 9 Cb -0.10 -3.38 -0.01 0.00 0.04 0.00 0.00 34.50 31.05 2dl3 s PRO 9 CO 0.03 -0.48 -0.04 0.00 0.04 0.00 0.00 177.00 176.55 2dl3 s ALA 10 N 1.59 0.33 -0.10 8.56 0.00 -0.16 -0.89 121.76 131.09 2dl3 s ALA 10 Ca 0.64 -0.30 0.02 0.00 0.00 0.00 0.00 51.96 52.32 2dl3 s ALA 10 Cb -0.35 -0.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.73 2dl3 s ALA 10 CO 0.29 0.03 -0.17 0.50 0.00 0.00 0.00 175.76 176.42 2dl3 s ARG 11 N -0.48 3.03 -0.25 0.00 3.52 -0.12 -1.04 118.95 123.61 2dl3 s ARG 11 Ca -0.02 -0.75 -0.29 0.00 -0.13 0.00 0.00 55.73 54.54 2dl3 s ARG 11 Cb -0.04 -2.46 0.01 0.00 -1.56 0.00 0.00 34.95 30.90 2dl3 s ARG 11 CO -0.00 0.32 1.11 0.00 -0.81 0.00 0.00 175.30 175.92 2dl3 s ALA 12 N 0.05 3.60 0.13 6.12 0.00 -0.64 -0.03 121.76 131.00 2dl3 s ALA 12 Ca -0.06 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.04 2dl3 s ALA 12 Cb -0.15 -3.62 -0.10 0.00 0.00 0.00 0.00 23.12 19.25 2dl3 s ALA 12 CO 0.05 -1.26 1.30 0.87 0.00 0.00 0.00 175.76 176.72 2dl3 h LYS 13 N 7.91 0.24 -5.13 0.00 1.79 -0.38 0.30 116.57 121.30 2dl3 h LYS 13 Ca -0.21 -0.30 -0.56 0.00 -2.18 0.00 0.00 60.65 57.41 2dl3 h LYS 13 Cb 1.07 0.09 -0.13 0.00 -1.58 0.00 0.00 32.23 31.68 2dl3 h LYS 13 CO 1.00 1.04 -0.54 -0.06 -1.08 0.00 0.00 179.45 179.81 2dl3 s PHE 14 N -3.06 1.86 -0.65 -1.35 0.08 -1.17 -4.71 117.98 108.99 2dl3 s PHE 14 Ca -0.03 -1.13 -0.22 0.00 0.12 0.00 0.00 56.93 55.67 2dl3 s PHE 14 Cb 0.09 -1.28 0.08 0.00 -0.57 0.00 0.00 43.02 41.35 2dl3 s PHE 14 CO 0.85 -0.12 0.91 0.16 -0.10 0.00 0.00 175.22 176.92 2dl3 s ASP 15 N -3.62 6.19 0.01 1.36 1.47 -1.26 -3.49 116.67 117.34 2dl3 s ASP 15 Ca 0.25 -1.13 -0.22 0.00 1.18 0.00 0.00 52.55 52.63 2dl3 s ASP 15 Cb 0.04 -2.39 -0.05 0.00 -0.34 0.00 0.00 42.92 40.18 2dl3 s ASP 15 CO 0.13 -1.36 0.65 0.12 0.68 0.00 0.00 175.17 175.39 2dl3 s PHE 16 N 3.70 3.70 -0.22 2.11 5.36 0.34 -4.94 117.98 128.03 2dl3 s PHE 16 Ca 0.20 1.29 -0.04 0.00 -0.96 0.00 0.00 56.93 57.41 2dl3 s PHE 16 Cb -0.18 -2.67 -0.01 0.00 -0.34 0.00 0.00 43.02 39.81 2dl3 s PHE 16 CO 0.09 0.33 -0.03 0.15 -1.46 0.00 0.00 175.22 174.30 2dl3 s LYS 17 N -0.17 3.44 -0.57 10.12 -0.14 -1.26 -1.08 119.74 130.07 2dl3 s LYS 17 Ca 0.33 -0.60 -0.25 0.00 -1.36 0.00 0.00 55.97 54.10 2dl3 s LYS 17 Cb -0.19 -3.05 0.04 0.00 -1.68 0.00 0.00 37.83 32.96 2dl3 s LYS 17 CO 0.19 -0.16 1.01 0.00 -0.76 0.00 0.00 175.35 175.62 2dl3 s ALA 18 N 1.42 3.11 0.22 5.17 0.00 -1.26 -4.90 121.76 125.52 2dl3 s ALA 18 Ca 0.05 -1.18 -0.07 0.00 0.00 0.00 0.00 51.96 50.76 2dl3 s ALA 18 Cb -0.14 -3.82 0.18 0.00 0.00 0.00 0.00 23.12 19.33 2dl3 s ALA 18 CO -0.02 -2.49 1.78 1.96 0.00 0.00 0.00 175.76 176.99 2dl3 h GLN 19 N 9.39 1.17 -4.83 0.00 1.08 -1.96 -3.46 115.11 116.50 2dl3 h GLN 19 Ca -0.26 -0.22 -0.32 0.00 -1.45 0.00 0.00 58.65 56.40 2dl3 h GLN 19 Cb 1.07 -0.18 -0.15 0.00 -0.05 0.00 0.00 27.48 28.17 2dl3 h GLN 19 CO 1.12 0.96 -0.63 0.95 -0.95 0.00 0.00 178.83 180.28 2dl3 s THR 20 N -5.50 0.52 0.20 -0.54 -4.23 -1.26 -5.05 115.64 99.77 2dl3 s THR 20 Ca -0.12 -1.99 -0.13 0.00 -1.18 0.00 0.00 61.69 58.26 2dl3 s THR 20 Cb 0.16 -2.51 0.18 0.00 1.34 0.00 0.00 72.50 71.67 2dl3 s THR 20 CO 0.84 -0.10 1.65 0.25 -0.54 0.00 0.00 174.62 176.72 2dl3 h LEU 21 N 2.48 -0.39 -0.88 4.79 5.85 -1.95 -0.42 115.31 124.80 2dl3 h LEU 21 Ca -0.38 0.15 0.33 0.00 0.84 0.00 0.00 57.88 58.83 2dl3 h LEU 21 Cb 1.24 0.30 -0.16 0.00 0.37 0.00 0.00 40.66 42.41 2dl3 h LEU 21 CO 0.60 -0.14 0.34 0.29 -0.34 0.00 0.00 178.44 179.19 2dl3 n LYS 22 N -5.33 -0.06 -3.88 1.25 4.76 -1.26 -4.24 118.16 109.40 2dl3 n LYS 22 Ca 0.07 1.25 -0.31 0.00 -2.87 0.00 0.00 58.31 56.44 2dl3 n LYS 22 Cb 0.31 -2.16 -0.04 0.00 -1.84 0.00 0.00 35.03 31.30 2dl3 n LYS 22 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2dl3 s GLU 23 N -5.49 3.47 -0.11 1.97 2.02 -0.17 0.26 118.70 120.65 2dl3 s GLU 23 Ca -0.09 -0.37 0.00 0.00 0.02 0.00 0.00 54.97 54.53 2dl3 s GLU 23 Cb 0.29 -3.01 -0.02 0.00 0.10 0.00 0.00 34.13 31.48 2dl3 s GLU 23 CO 0.69 0.59 -0.10 -1.17 0.02 0.00 0.00 175.26 175.28 2dl3 s LEU 24 N -2.49 2.91 0.42 1.80 2.96 -0.03 -4.59 118.68 119.66 2dl3 s LEU 24 Ca 0.35 -0.20 -0.24 0.00 -0.22 0.00 0.00 54.13 53.82 2dl3 s LEU 24 Cb -0.13 -1.65 -0.08 0.00 0.50 0.00 0.00 46.19 44.83 2dl3 s LEU 24 CO 0.27 0.24 1.18 -2.16 -1.32 0.00 0.00 176.35 174.56 2dl3 s PRO 25 N -0.09 3.94 -0.03 0.98 0.04 -1.26 -4.53 135.00 134.05 2dl3 s PRO 25 Ca -0.01 1.84 -0.01 0.00 0.04 0.00 0.00 61.00 62.87 2dl3 s PRO 25 Cb -0.14 -2.58 0.03 0.00 0.04 0.00 0.00 34.50 31.85 2dl3 s PRO 25 CO 0.03 -0.42 0.04 -0.51 0.04 0.00 0.00 177.00 176.19 2dl3 s LEU 26 N -2.69 0.88 -0.00 -3.56 1.43 -0.24 -4.93 118.68 109.57 2dl3 s LEU 26 Ca 0.59 0.07 -0.06 0.00 -1.03 0.00 0.00 54.13 53.71 2dl3 s LEU 26 Cb -0.30 -0.05 -0.05 0.00 0.03 0.00 0.00 46.19 45.82 2dl3 s LEU 26 CO 0.38 -0.15 0.24 -1.58 0.23 0.00 0.00 176.35 175.47 2dl3 s GLN 27 N 1.27 3.54 -0.47 1.70 0.74 -1.26 0.13 119.66 125.31 2dl3 s GLN 27 Ca -0.07 -0.14 -0.34 0.00 0.05 0.00 0.00 55.36 54.87 2dl3 s GLN 27 Cb -0.13 -3.09 -0.13 0.00 1.10 0.00 0.00 33.01 30.77 2dl3 s GLN 27 CO -0.03 0.66 2.29 1.17 -0.55 0.00 0.00 175.29 178.83 2dl3 n LYS 28 N 1.11 0.85 -0.50 1.67 4.81 -1.23 -0.80 118.16 124.07 2dl3 n LYS 28 Ca -0.12 0.19 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 2dl3 n LYS 28 Cb 0.53 -2.41 0.00 0.00 0.02 0.00 0.00 35.03 33.17 2dl3 n LYS 28 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2dl3 n GLY 29 N 6.52 1.37 3.67 3.14 0.00 0.11 -5.01 105.19 114.99 2dl3 n GLY 29 Ca 0.45 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.94 2dl3 n GLY 29 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dl3 s ASP 30 N -2.23 5.27 -0.15 1.61 1.11 0.02 -4.86 116.67 117.44 2dl3 s ASP 30 Ca 0.00 0.12 -0.14 0.00 0.18 0.00 0.00 52.55 52.71 2dl3 s ASP 30 Cb 0.00 -1.58 -0.05 0.00 1.07 0.00 0.00 42.92 42.37 2dl3 s ASP 30 CO 0.00 0.34 0.31 -0.63 1.18 0.00 0.00 175.17 176.36 2dl3 s ILE 31 N -0.63 5.29 0.16 0.77 -1.09 -1.26 -1.61 121.20 122.83 2dl3 s ILE 31 Ca 0.10 0.58 0.01 0.00 -2.23 0.00 0.00 60.65 59.11 2dl3 s ILE 31 Cb -0.12 -3.64 -0.04 0.00 -1.58 0.00 0.00 42.46 37.08 2dl3 s ILE 31 CO 0.02 0.39 0.02 0.68 -1.23 0.00 0.00 174.94 174.83 2dl3 s VAL 32 N 0.41 0.48 -0.24 2.92 -7.23 -0.20 -4.94 120.40 111.60 2dl3 s VAL 32 Ca 0.17 -1.96 0.00 0.00 -1.81 0.00 0.00 61.98 58.39 2dl3 s VAL 32 Cb -0.13 -2.12 0.03 0.00 0.56 0.00 0.00 36.38 34.73 2dl3 s VAL 32 CO 0.04 -0.45 -0.10 -0.31 -0.31 0.00 0.00 175.10 173.97 2dl3 s TYR 33 N -3.79 3.06 -0.50 2.82 2.02 -1.25 -0.99 117.35 118.71 2dl3 s TYR 33 Ca 0.25 -1.79 -0.26 0.00 -0.37 0.00 0.00 57.07 54.90 2dl3 s TYR 33 Cb 0.07 -2.00 0.03 0.00 -0.40 0.00 0.00 41.96 39.66 2dl3 s TYR 33 CO 0.04 -0.79 0.99 0.42 -1.57 0.00 0.00 175.55 174.64 2dl3 s ILE 34 N 1.26 4.36 -0.05 2.71 1.01 -0.32 -3.02 121.20 127.14 2dl3 s ILE 34 Ca -0.01 0.71 -0.23 0.00 0.00 0.00 0.00 60.65 61.12 2dl3 s ILE 34 Cb -0.17 -4.52 -0.28 0.00 0.01 0.00 0.00 42.46 37.50 2dl3 s ILE 34 CO -0.06 -0.99 0.93 1.88 0.00 0.00 0.00 174.94 176.70 2dl3 h TYR 35 N 9.22 0.42 -3.92 3.97 0.05 -0.55 -2.25 116.97 123.90 2dl3 h TYR 35 Ca -0.24 -0.28 -0.41 0.00 0.05 0.00 0.00 58.73 57.84 2dl3 h TYR 35 Cb 1.07 -0.03 -0.14 0.00 1.01 0.00 0.00 36.73 38.64 2dl3 h TYR 35 CO 0.91 1.18 -0.56 -1.59 -1.05 0.00 0.00 178.16 177.05 2dl3 s LYS 36 N -2.63 1.58 -0.24 4.88 -2.85 -1.16 -4.71 119.74 114.61 2dl3 s LYS 36 Ca -0.15 -1.90 0.01 0.00 -1.00 0.00 0.00 55.97 52.94 2dl3 s LYS 36 Cb 0.01 -0.12 0.04 0.00 -2.06 0.00 0.00 37.83 35.70 2dl3 s LYS 36 CO 0.79 -0.44 -0.12 -1.14 0.10 0.00 0.00 175.35 174.55 2dl3 s GLN 37 N -3.84 2.56 0.00 1.78 0.74 -1.26 -1.80 119.66 117.84 2dl3 s GLN 37 Ca 0.36 -1.14 -0.10 0.00 0.05 0.00 0.00 55.36 54.53 2dl3 s GLN 37 Cb 0.05 -2.83 -0.06 0.00 1.10 0.00 0.00 33.01 31.28 2dl3 s GLN 37 CO 0.17 -0.44 0.78 0.82 -0.55 0.00 0.00 175.29 176.07 2dl3 h ILE 38 N 6.41 0.00 -4.92 -2.34 1.08 -1.79 -3.48 117.51 112.47 2dl3 h ILE 38 Ca -0.29 -0.15 -0.56 0.00 -0.39 0.00 0.00 64.86 63.47 2dl3 h ILE 38 Cb 1.08 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 34.71 2dl3 h ILE 38 CO 0.53 0.00 -0.47 -0.67 -0.69 0.00 0.00 178.15 176.86 2dl3 n ASP 39 N -3.40 1.26 0.30 1.72 2.03 -1.22 -4.96 116.55 112.28 2dl3 n ASP 39 Ca -0.04 -3.17 0.20 0.00 0.52 0.00 0.00 54.79 52.29 2dl3 n ASP 39 Cb 0.14 1.02 0.92 0.00 -0.72 0.00 0.00 41.12 42.49 2dl3 n ASP 39 CO 0.00 0.00 0.00 0.06 -1.92 0.00 0.00 177.20 175.34 2dl3 h GLN 40 N 0.00 0.00 0.00 -0.67 -0.00 -2.03 -2.44 115.11 109.98 2dl3 h GLN 40 Ca -0.32 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.33 2dl3 h GLN 40 Cb 1.22 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.70 2dl3 h GLN 40 CO 0.51 0.00 -0.12 0.09 -0.00 0.00 0.00 178.83 179.30 2dl3 n ASN 41 N -3.04 1.78 -4.15 0.06 4.13 -1.26 -4.93 115.26 107.86 2dl3 n ASN 41 Ca -0.01 -2.83 -0.10 0.00 1.68 0.00 0.00 54.58 53.32 2dl3 n ASN 41 Cb 0.19 -0.38 -0.10 0.00 -1.54 0.00 0.00 39.78 37.96 2dl3 n ASN 41 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 2dl3 s TRP 42 N -2.19 0.84 0.31 3.10 0.52 -0.92 -1.25 118.94 119.36 2dl3 s TRP 42 Ca 0.24 -1.14 -0.00 0.00 0.02 0.00 0.00 56.10 55.21 2dl3 s TRP 42 Cb 0.21 -0.50 0.00 0.00 -1.15 0.00 0.00 33.47 32.04 2dl3 s TRP 42 CO 0.02 -0.42 0.41 0.66 0.02 0.00 0.00 176.95 177.65 2dl3 n TYR 43 N -0.07 -1.26 -3.71 -1.98 4.01 0.77 -3.40 117.16 111.53 2dl3 n TYR 43 Ca -0.08 -2.14 -0.12 0.00 -0.16 0.00 0.00 57.90 55.39 2dl3 n TYR 43 Cb 0.63 0.46 -0.13 0.00 -0.31 0.00 0.00 39.34 39.99 2dl3 n TYR 43 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 2dl3 s GLU 44 N -2.77 0.21 0.00 -0.72 2.56 -0.75 -2.04 118.70 115.19 2dl3 s GLU 44 Ca 0.27 0.63 0.00 0.00 0.00 0.00 0.00 54.97 55.87 2dl3 s GLU 44 Cb -0.01 -0.08 0.00 0.00 2.00 0.00 0.00 34.13 36.05 2dl3 s GLU 44 CO 0.19 -0.20 0.00 0.41 -0.56 0.00 0.00 175.26 175.11 2dl3 n GLY 45 N 4.56 3.14 3.29 -1.50 0.00 -0.97 0.18 105.19 113.90 2dl3 n GLY 45 Ca -0.20 -0.66 -0.22 0.00 0.00 0.00 0.00 46.02 44.95 2dl3 n GLY 45 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2dl3 s GLU 46 N 1.35 1.16 -0.29 1.61 -6.30 -1.17 -2.63 118.70 112.42 2dl3 s GLU 46 Ca 0.00 -1.27 -0.14 0.00 -2.50 0.00 0.00 54.97 51.06 2dl3 s GLU 46 Cb 0.00 -1.25 0.13 0.00 0.00 0.00 0.00 34.13 33.01 2dl3 s GLU 46 CO 0.00 0.27 0.81 -1.58 0.02 0.00 0.00 175.26 174.78 2dl3 s HIS 47 N -1.72 -0.95 -1.32 5.30 2.46 -0.64 -3.91 115.29 114.52 2dl3 s HIS 47 Ca 0.10 1.74 -0.07 0.00 0.47 0.00 0.00 55.06 57.31 2dl3 s HIS 47 Cb -0.07 0.57 0.01 0.00 -0.13 0.00 0.00 32.58 32.95 2dl3 s HIS 47 CO 0.05 -0.47 1.15 1.58 -2.47 0.00 0.00 174.74 174.57 2dl3 n HIS 48 N 4.72 -2.74 -2.63 3.88 -0.00 -1.26 -2.00 115.22 115.19 2dl3 n HIS 48 Ca -0.14 1.00 -0.17 0.00 -0.00 0.00 0.00 57.72 58.41 2dl3 n HIS 48 Cb 0.54 -5.05 0.01 0.00 -0.00 0.00 0.00 29.99 25.49 2dl3 n HIS 48 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2dl3 n GLY 49 N -1.82 -0.26 3.33 1.57 0.00 -1.26 -5.00 105.19 101.75 2dl3 n GLY 49 Ca -0.06 -0.13 -0.18 0.00 0.00 0.00 0.00 46.02 45.65 2dl3 n GLY 49 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2dl3 s ARG 50 N -5.18 1.52 -0.00 1.61 3.52 -0.85 -5.17 118.95 114.40 2dl3 s ARG 50 Ca 0.14 -1.85 -0.01 0.00 -0.13 0.00 0.00 55.73 53.88 2dl3 s ARG 50 Cb -0.06 -0.19 -0.00 0.00 -1.56 0.00 0.00 34.95 33.13 2dl3 s ARG 50 CO 0.17 -0.38 0.01 0.08 -0.81 0.00 0.00 175.30 174.38 2dl3 s VAL 51 N -3.66 0.02 -0.79 7.11 1.01 -1.26 -1.61 120.40 121.21 2dl3 s VAL 51 Ca 0.36 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.16 2dl3 s VAL 51 Cb 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 36.38 36.35 2dl3 s VAL 51 CO 0.16 -0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.76 2dl3 n GLY 52 N 2.76 -1.28 3.60 4.51 0.00 -1.08 -4.76 105.19 108.93 2dl3 n GLY 52 Ca -0.15 -0.90 -0.26 0.00 0.00 0.00 0.00 46.02 44.72 2dl3 n GLY 52 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2dl3 s ILE 53 N -2.85 3.32 0.05 -0.61 -4.36 0.14 -2.30 121.20 114.60 2dl3 s ILE 53 Ca 0.00 -1.65 -0.19 0.00 -0.26 0.00 0.00 60.65 58.55 2dl3 s ILE 53 Cb 0.00 -2.67 0.04 0.00 1.25 0.00 0.00 42.46 41.08 2dl3 s ILE 53 CO 0.00 -0.15 0.44 0.72 0.24 0.00 0.00 174.94 176.19 2dl3 s PHE 54 N -1.80 -0.30 0.23 1.37 -0.71 -0.87 -0.85 117.98 115.04 2dl3 s PHE 54 Ca 0.26 0.26 -0.30 0.00 -1.04 0.00 0.00 56.93 56.12 2dl3 s PHE 54 Cb -0.08 0.26 -0.09 0.00 -1.21 0.00 0.00 43.02 41.89 2dl3 s PHE 54 CO 0.16 -0.60 1.29 -1.25 -1.34 0.00 0.00 175.22 173.48 2dl3 s PRO 55 N -2.59 4.41 0.15 1.99 0.04 -1.26 -0.16 135.00 137.58 2dl3 s PRO 55 Ca -0.05 2.05 -0.12 0.00 0.04 0.00 0.00 61.00 62.92 2dl3 s PRO 55 Cb -0.01 -3.18 0.01 0.00 0.04 0.00 0.00 34.50 31.36 2dl3 s PRO 55 CO -0.03 -0.19 1.58 -0.09 0.04 0.00 0.00 177.00 178.30 2dl3 h ARG 56 N 4.93 0.87 0.00 4.56 2.43 -1.46 -2.53 114.38 123.17 2dl3 h ARG 56 Ca -0.46 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 58.41 2dl3 h ARG 56 Cb 1.22 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 2dl3 h ARG 56 CO 0.74 0.93 0.31 0.00 -1.51 0.00 0.00 179.97 180.45 2dl3 h THR 57 N 0.72 0.00 0.04 0.20 1.03 -1.93 0.38 112.91 113.35 2dl3 h THR 57 Ca 0.13 0.00 -0.30 0.00 -0.01 0.00 0.00 66.41 66.23 2dl3 h THR 57 Cb 0.57 0.48 -0.04 0.00 -1.07 0.00 0.00 68.15 68.10 2dl3 h THR 57 CO 0.03 0.00 -1.66 1.88 -0.01 0.00 0.00 175.52 175.76 2dl3 h TYR 58 N 0.00 0.16 -0.50 0.00 -1.99 -1.83 -3.48 116.97 109.34 2dl3 h TYR 58 Ca 0.00 -0.12 -0.60 0.00 2.00 0.00 0.00 58.73 60.01 2dl3 h TYR 58 Cb 0.62 -0.01 -0.06 0.00 2.00 0.00 0.00 36.73 39.28 2dl3 h TYR 58 CO 0.00 1.20 -0.34 0.96 -0.00 0.00 0.00 178.16 179.99 2dl3 s ILE 59 N -2.60 1.54 -0.11 -2.88 -5.25 0.13 0.39 121.20 112.41 2dl3 s ILE 59 Ca -0.08 -1.58 -0.05 0.00 -0.99 0.00 0.00 60.65 57.94 2dl3 s ILE 59 Cb 0.08 -2.12 0.05 0.00 2.95 0.00 0.00 42.46 43.42 2dl3 s ILE 59 CO 0.82 0.00 0.26 -1.83 -1.79 0.00 0.00 174.94 172.40 2dl3 s GLU 60 N -4.22 0.21 -0.21 0.37 -1.05 0.96 -4.79 118.70 109.97 2dl3 s GLU 60 Ca 0.28 0.56 -0.29 0.00 -0.15 0.00 0.00 54.97 55.38 2dl3 s GLU 60 Cb -0.02 -0.11 -0.04 0.00 -0.44 0.00 0.00 34.13 33.52 2dl3 s GLU 60 CO 0.18 -0.17 1.94 -0.51 0.95 0.00 0.00 175.26 177.64 2dl3 s LEU 61 N 1.35 3.72 0.30 1.83 1.43 -1.26 -0.95 118.68 125.10 2dl3 s LEU 61 Ca -0.09 1.81 -0.29 0.00 -1.03 0.00 0.00 54.13 54.53 2dl3 s LEU 61 Cb -0.10 -3.52 -0.11 0.00 0.03 0.00 0.00 46.19 42.49 2dl3 s LEU 61 CO -0.09 -1.59 1.45 -0.76 0.23 0.00 0.00 176.35 175.59 2dl3 s LEU 62 N 6.63 4.37 0.46 1.79 1.43 -0.07 -4.96 118.68 128.34 2dl3 s LEU 62 Ca 0.87 2.80 -0.04 0.00 -1.03 0.00 0.00 54.13 56.73 2dl3 s LEU 62 Cb -0.30 -3.64 -0.03 0.00 0.03 0.00 0.00 46.19 42.25 2dl3 s LEU 62 CO 0.34 -0.74 0.74 -0.94 0.23 0.00 0.00 176.35 175.98 2dl3 s SER 63 N 0.12 6.19 0.06 2.29 1.04 -1.26 -4.80 113.70 117.34 2dl3 s SER 63 Ca 0.57 0.77 -0.20 0.00 0.48 0.00 0.00 55.95 57.56 2dl3 s SER 63 Cb -0.43 -2.11 0.05 0.00 0.10 0.00 0.00 66.02 63.62 2dl3 s SER 63 CO 0.50 -0.57 0.47 -0.83 0.98 0.00 0.00 173.24 173.80 2dl3 s GLY 64 N -4.12 -0.37 -0.10 7.32 0.00 -1.26 -5.10 107.32 103.69 2dl3 s GLY 64 Ca 0.46 0.40 -0.29 0.00 0.00 0.00 0.00 44.72 45.29 2dl3 s GLY 64 CO 0.43 0.12 1.53 2.56 0.00 0.00 0.00 173.10 177.73 2dl3 s PRO 65 N -2.75 4.16 -1.52 2.90 0.04 -1.26 -3.52 135.00 133.06 2dl3 s PRO 65 Ca -0.04 1.98 -0.17 0.00 0.04 0.00 0.00 61.00 62.82 2dl3 s PRO 65 Cb -0.00 -3.92 0.17 0.00 0.04 0.00 0.00 34.50 30.78 2dl3 s PRO 65 CO -0.04 -0.84 0.43 -1.13 0.04 0.00 0.00 177.00 175.45 2dl3 n SER 66 N 7.09 -1.18 -4.37 6.66 3.41 -1.26 -4.81 113.62 119.16 2dl3 n SER 66 Ca 0.16 -1.04 -0.46 0.00 -0.26 0.00 0.00 58.87 57.28 2dl3 n SER 66 Cb 0.44 -1.32 -0.01 0.00 -0.26 0.00 0.00 64.21 63.05 2dl3 n SER 66 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dl3 s SER 67 N -3.05 6.94 0.00 4.04 0.15 -1.23 -5.04 113.70 115.51 2dl3 s SER 67 Ca 0.60 -2.88 0.00 0.00 0.70 0.00 0.00 55.95 54.36 2dl3 s SER 67 Cb -0.35 -2.26 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 2dl3 s SER 67 CO 0.85 -0.59 0.00 0.61 1.20 0.00 0.00 173.24 175.31