#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2da1 n SER 2 N 0.00 4.35 -4.57 1.61 2.88 -1.26 -4.92 113.62 111.70 2da1 n SER 2 Ca 0.00 -3.49 -0.34 0.00 -1.33 0.00 0.00 58.87 53.71 2da1 n SER 2 Cb 0.00 -0.39 -0.04 0.00 -0.75 0.00 0.00 64.21 63.04 2da1 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2da1 s SER 3 N -3.60 5.79 -0.99 -3.46 0.15 -1.26 -3.89 113.70 106.44 2da1 s SER 3 Ca 0.47 -1.69 -0.01 0.00 0.70 0.00 0.00 55.95 55.41 2da1 s SER 3 Cb 0.40 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 62.13 2da1 s SER 3 CO -0.01 -2.24 0.83 0.61 1.20 0.00 0.00 173.24 173.63 2da1 n GLY 4 N 6.02 -0.21 0.45 9.45 0.00 -1.26 -4.92 105.19 114.71 2da1 n GLY 4 Ca 0.44 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.32 2da1 n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2da1 h SER 5 N -1.64 -1.91 -3.13 1.61 0.87 -1.92 -3.41 113.55 104.01 2da1 h SER 5 Ca -0.47 0.26 -0.21 0.00 -1.23 0.00 0.00 61.79 60.14 2da1 h SER 5 Cb 1.28 0.79 -0.31 0.00 -0.44 0.00 0.00 62.40 63.72 2da1 h SER 5 CO 0.41 -0.37 -0.51 -0.94 -0.53 0.00 0.00 176.83 174.88 2da1 s SER 6 N -5.12 0.04 -0.18 6.23 1.04 -1.26 -5.14 113.70 109.32 2da1 s SER 6 Ca -0.14 0.54 0.01 0.00 0.48 0.00 0.00 55.95 56.84 2da1 s SER 6 Cb 0.09 0.52 0.03 0.00 0.10 0.00 0.00 66.02 66.76 2da1 s SER 6 CO 0.61 -0.20 -0.12 -0.83 0.98 0.00 0.00 173.24 173.68 2da1 s GLY 7 N 1.79 1.23 -0.01 7.32 0.00 -1.26 -4.99 107.32 111.39 2da1 s GLY 7 Ca -0.04 -1.10 -0.15 0.00 0.00 0.00 0.00 44.72 43.42 2da1 s GLY 7 CO -0.08 0.62 0.86 0.50 0.00 0.00 0.00 173.10 174.99 2da1 h LYS 8 N 8.00 0.47 -6.22 2.90 1.57 -2.01 -3.47 116.57 117.81 2da1 h LYS 8 Ca -0.32 -0.80 -0.46 0.00 -1.87 0.00 0.00 60.65 57.20 2da1 h LYS 8 Cb 1.11 0.30 -0.01 0.00 0.08 0.00 0.00 32.23 33.71 2da1 h LYS 8 CO 0.50 1.38 -0.41 1.03 -0.57 0.00 0.00 179.45 181.38 2da1 s ARG 9 N -2.57 3.34 0.09 3.15 3.00 -1.26 -5.00 118.95 119.70 2da1 s ARG 9 Ca -0.12 -0.84 0.18 0.00 0.00 0.00 0.00 55.73 54.95 2da1 s ARG 9 Cb 0.04 -2.86 0.74 0.00 0.00 0.00 0.00 34.95 32.88 2da1 s ARG 9 CO 0.90 0.34 1.55 -0.35 0.00 0.00 0.00 175.30 177.74 2da1 n PRO 10 N -1.45 0.07 -2.17 3.54 -0.04 -1.26 -4.60 135.00 129.08 2da1 n PRO 10 Ca -0.07 0.32 -0.38 0.00 -0.04 0.00 0.00 63.50 63.33 2da1 n PRO 10 Cb 0.57 -1.63 -0.03 0.00 -0.04 0.00 0.00 33.50 32.37 2da1 n PRO 10 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2da1 s ARG 11 N -3.12 2.78 0.23 0.54 3.00 -1.26 -4.97 118.95 116.15 2da1 s ARG 11 Ca 0.06 0.24 -0.10 0.00 -1.00 0.00 0.00 55.73 54.93 2da1 s ARG 11 Cb 0.09 -4.47 -0.07 0.00 0.00 0.00 0.00 34.95 30.50 2da1 s ARG 11 CO 0.31 -2.67 0.56 0.95 0.00 0.00 0.00 175.30 174.44 2da1 s THR 12 N 8.33 4.92 0.12 4.11 -4.23 -1.26 -5.02 115.64 122.60 2da1 s THR 12 Ca 0.60 0.51 0.11 0.00 -1.18 0.00 0.00 61.69 61.72 2da1 s THR 12 Cb -0.10 -3.62 -0.04 0.00 1.34 0.00 0.00 72.50 70.08 2da1 s THR 12 CO 0.15 -0.06 -0.26 -0.60 -0.54 0.00 0.00 174.62 173.31 2da1 s ARG 13 N -2.78 1.47 -0.09 3.99 3.52 -1.26 -5.14 118.95 118.67 2da1 s ARG 13 Ca 0.47 -1.31 -0.05 0.00 -0.13 0.00 0.00 55.73 54.71 2da1 s ARG 13 Cb -0.11 -1.93 -0.04 0.00 -1.56 0.00 0.00 34.95 31.31 2da1 s ARG 13 CO 0.21 0.46 0.11 0.42 -0.81 0.00 0.00 175.30 175.69 2da1 s ILE 14 N -1.05 5.20 0.78 4.11 1.01 -1.26 -4.90 121.20 125.10 2da1 s ILE 14 Ca 0.14 0.02 -0.05 0.00 0.00 0.00 0.00 60.65 60.76 2da1 s ILE 14 Cb -0.10 -3.29 0.17 0.00 0.01 0.00 0.00 42.46 39.25 2da1 s ILE 14 CO 0.06 0.55 1.07 0.35 0.00 0.00 0.00 174.94 176.97 2da1 n THR 15 N 1.80 0.00 -0.05 2.92 -2.24 -1.26 -4.84 114.28 110.60 2da1 n THR 15 Ca -0.18 -1.34 -0.16 0.00 -2.27 0.00 0.00 64.05 60.11 2da1 n THR 15 Cb 0.54 -1.11 -0.06 0.00 -2.10 0.00 0.00 70.33 67.60 2da1 n THR 15 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2da1 h ASP 16 N -0.94 0.87 0.26 3.42 1.82 -1.99 0.24 116.42 120.10 2da1 h ASP 16 Ca -0.35 -0.58 -0.04 0.00 -0.39 0.00 0.00 57.03 55.67 2da1 h ASP 16 Cb 1.17 -0.25 -0.01 0.00 0.68 0.00 0.00 39.33 40.92 2da1 h ASP 16 CO 0.33 1.30 -0.20 0.44 -1.61 0.00 0.00 179.24 179.50 2da1 h ASP 17 N 0.49 0.00 0.13 2.28 5.19 -2.00 -0.47 116.42 122.04 2da1 h ASP 17 Ca -0.01 0.00 -0.36 0.00 -0.62 0.00 0.00 57.03 56.04 2da1 h ASP 17 Cb 1.20 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.70 2da1 h ASP 17 CO 0.13 0.20 -1.95 1.56 -3.12 0.00 0.00 179.24 176.05 2da1 h GLN 18 N 0.00 0.27 -0.09 3.56 4.20 -1.92 -3.37 115.11 117.77 2da1 h GLN 18 Ca -0.00 -0.47 -0.00 0.00 0.06 0.00 0.00 58.65 58.24 2da1 h GLN 18 Cb 0.38 0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.33 2da1 h GLN 18 CO 0.03 1.22 0.03 1.25 -0.67 0.00 0.00 178.83 180.69 2da1 h LEU 19 N 0.05 0.12 -1.79 1.46 5.85 -0.37 -2.55 115.31 118.07 2da1 h LEU 19 Ca -0.41 -0.16 0.31 0.00 0.84 0.00 0.00 57.88 58.46 2da1 h LEU 19 Cb 2.02 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 42.96 2da1 h LEU 19 CO 0.09 0.25 0.77 0.08 -0.34 0.00 0.00 178.44 179.29 2da1 h ARG 20 N -0.02 0.12 -0.12 1.25 0.11 -1.27 0.72 114.38 115.17 2da1 h ARG 20 Ca 0.03 -0.01 -0.14 0.00 0.10 0.00 0.00 59.98 59.96 2da1 h ARG 20 Cb 0.17 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.21 2da1 h ARG 20 CO -0.00 0.08 -0.52 0.28 0.10 0.00 0.00 179.97 179.91 2da1 h VAL 21 N 0.12 1.34 0.00 0.08 2.07 -1.61 -0.40 116.25 117.86 2da1 h VAL 21 Ca 0.56 -1.78 -0.11 0.00 0.82 0.00 0.00 66.70 66.19 2da1 h VAL 21 Cb 1.98 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 33.56 2da1 h VAL 21 CO -0.10 0.54 -0.69 -0.07 0.02 0.00 0.00 177.57 177.26 2da1 h LEU 22 N 0.26 0.00 0.00 2.57 3.38 0.40 -3.32 115.31 118.61 2da1 h LEU 22 Ca 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2da1 h LEU 22 Cb 1.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.75 2da1 h LEU 22 CO 0.09 0.48 -0.11 0.03 0.09 0.00 0.00 178.44 179.02 2da1 h ARG 23 N 0.00 0.00 -0.88 1.13 2.47 -0.77 -3.16 114.38 113.17 2da1 h ARG 23 Ca -0.04 0.00 0.23 0.00 -1.26 0.00 0.00 59.98 58.91 2da1 h ARG 23 Cb 1.40 0.00 -0.15 0.00 -1.65 0.00 0.00 29.97 29.57 2da1 h ARG 23 CO 0.06 0.86 0.10 -0.56 0.56 0.00 0.00 179.97 180.99 2da1 h GLN 24 N -1.00 0.10 -0.57 0.04 3.07 -1.21 0.54 115.11 116.09 2da1 h GLN 24 Ca -0.03 -0.01 -0.09 0.00 0.09 0.00 0.00 58.65 58.62 2da1 h GLN 24 Cb 0.89 -0.02 -0.02 0.00 0.08 0.00 0.00 27.48 28.41 2da1 h GLN 24 CO -0.02 0.07 0.01 1.88 0.09 0.00 0.00 178.83 180.86 2da1 h TYR 25 N 0.11 1.04 -1.00 0.06 -1.99 -1.69 -2.93 116.97 110.57 2da1 h TYR 25 Ca 0.53 -0.16 0.35 0.00 2.00 0.00 0.00 58.73 61.45 2da1 h TYR 25 Cb 1.04 -0.28 -0.16 0.00 2.00 0.00 0.00 36.73 39.33 2da1 h TYR 25 CO -0.39 0.92 0.53 0.35 -0.00 0.00 0.00 178.16 179.58 2da1 h PHE 26 N 0.89 0.85 0.21 4.88 3.57 0.13 0.31 116.94 127.79 2da1 h PHE 26 Ca 0.17 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 2da1 h PHE 26 Cb 0.50 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.04 2da1 h PHE 26 CO 0.03 -0.29 -0.10 0.22 -2.23 0.00 0.00 178.31 175.94 2da1 h ASP 27 N 0.20 -0.24 0.14 0.41 3.58 -1.44 -3.24 116.42 115.82 2da1 h ASP 27 Ca 0.77 -0.25 0.01 0.00 0.42 0.00 0.00 57.03 57.98 2da1 h ASP 27 Cb 1.85 0.06 -0.02 0.00 1.72 0.00 0.00 39.33 42.94 2da1 h ASP 27 CO -0.68 0.16 -0.21 0.40 -2.88 0.00 0.00 179.24 176.03 2da1 h ILE 28 N -0.68 0.53 -3.42 2.25 5.03 -0.81 -3.42 117.51 116.99 2da1 h ILE 28 Ca -0.03 0.00 -0.32 0.00 -0.12 0.00 0.00 64.86 64.39 2da1 h ILE 28 Cb 0.48 0.53 -0.36 0.00 -3.03 0.00 0.00 36.82 34.44 2da1 h ILE 28 CO 0.05 0.00 -0.72 0.54 -0.68 0.00 0.00 178.15 177.33 2da1 s ASN 29 N -4.85 0.49 0.09 1.72 4.22 0.80 -5.06 114.94 112.35 2da1 s ASN 29 Ca -0.15 0.08 -0.18 0.00 -2.14 0.00 0.00 52.86 50.47 2da1 s ASN 29 Cb 0.07 -0.07 -0.04 0.00 1.28 0.00 0.00 41.25 42.49 2da1 s ASN 29 CO 0.65 -0.18 1.27 0.59 -2.04 0.00 0.00 177.10 177.39 2da1 n ASN 30 N 4.65 -0.60 -4.47 3.54 5.03 -1.22 -3.98 115.26 118.20 2da1 n ASN 30 Ca -0.18 1.40 -0.32 0.00 0.87 0.00 0.00 54.58 56.36 2da1 n ASN 30 Cb 0.50 -0.33 -0.13 0.00 -1.02 0.00 0.00 39.78 38.80 2da1 n ASN 30 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 2da1 s SER 31 N -4.46 3.96 0.62 6.41 1.04 -1.26 -4.66 113.70 115.35 2da1 s SER 31 Ca -0.07 -0.29 -0.17 0.00 0.48 0.00 0.00 55.95 55.91 2da1 s SER 31 Cb 0.06 -0.76 -0.02 0.00 0.10 0.00 0.00 66.02 65.40 2da1 s SER 31 CO 0.35 0.31 1.12 -2.16 0.98 0.00 0.00 173.24 173.83 2da1 s PRO 32 N -1.05 2.99 0.09 4.02 0.04 -1.26 -5.05 135.00 134.78 2da1 s PRO 32 Ca 0.13 1.47 0.00 0.00 0.04 0.00 0.00 61.00 62.64 2da1 s PRO 32 Cb -0.11 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 2da1 s PRO 32 CO 0.03 -1.11 0.24 0.45 0.04 0.00 0.00 177.00 176.65 2da1 s SER 33 N -2.30 6.37 0.44 6.66 0.15 -1.26 -4.79 113.70 118.97 2da1 s SER 33 Ca 0.69 0.28 0.39 0.00 0.70 0.00 0.00 55.95 58.01 2da1 s SER 33 Cb -0.22 -1.96 1.39 0.00 -1.71 0.00 0.00 66.02 63.53 2da1 s SER 33 CO 0.36 0.13 1.27 -0.62 1.20 0.00 0.00 173.24 175.59 2da1 n GLU 34 N 0.09 -0.00 0.00 5.44 1.02 -1.26 0.23 120.64 126.16 2da1 n GLU 34 Ca -0.05 0.90 -0.17 0.00 -0.02 0.00 0.00 57.16 57.82 2da1 n GLU 34 Cb 0.52 -2.04 -0.12 0.00 -0.02 0.00 0.00 31.44 29.78 2da1 n GLU 34 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2da1 h GLU 35 N 0.00 0.28 -0.31 3.49 5.08 -2.00 -3.22 114.58 117.90 2da1 h GLU 35 Ca 0.76 -0.35 -0.11 0.00 -1.00 0.00 0.00 59.36 58.66 2da1 h GLU 35 Cb 3.00 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 32.35 2da1 h GLU 35 CO -0.05 1.08 -0.22 1.96 -1.00 0.00 0.00 179.01 180.77 2da1 h GLN 36 N -0.35 0.70 -0.46 2.33 4.20 0.26 -1.91 115.11 119.88 2da1 h GLN 36 Ca -0.07 -0.34 0.13 0.00 0.06 0.00 0.00 58.65 58.43 2da1 h GLN 36 Cb 1.29 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.05 2da1 h GLN 36 CO 0.10 0.95 0.39 0.82 -0.67 0.00 0.00 178.83 180.41 2da1 h ILE 37 N 0.46 0.58 0.00 2.54 2.04 -0.70 0.11 117.51 122.55 2da1 h ILE 37 Ca 0.06 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.78 2da1 h ILE 37 Cb 0.77 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 2da1 h ILE 37 CO 0.06 0.00 -0.79 0.50 0.00 0.00 0.00 178.15 177.92 2da1 h LYS 38 N 0.00 0.01 -0.64 2.37 1.63 -1.51 -2.82 116.57 115.61 2da1 h LYS 38 Ca 0.22 -0.01 0.13 0.00 -0.85 0.00 0.00 60.65 60.14 2da1 h LYS 38 Cb 0.99 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.59 2da1 h LYS 38 CO -0.00 1.01 0.43 1.05 -3.45 0.00 0.00 179.45 178.49 2da1 h GLU 39 N -0.98 0.29 0.02 1.90 4.11 -0.73 -2.26 114.58 116.93 2da1 h GLU 39 Ca -0.21 -0.02 -0.03 0.00 0.07 0.00 0.00 59.36 59.17 2da1 h GLU 39 Cb 1.21 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.39 2da1 h GLU 39 CO -0.12 0.19 -0.12 0.52 0.07 0.00 0.00 179.01 179.55 2da1 h MET 40 N 0.30 0.05 -1.08 1.06 2.86 -1.13 -2.25 114.93 114.74 2da1 h MET 40 Ca 0.30 -0.08 0.31 0.00 -2.06 0.00 0.00 59.70 58.18 2da1 h MET 40 Cb 0.78 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.43 2da1 h MET 40 CO -0.07 0.98 1.01 0.00 1.06 0.00 0.00 176.91 179.89 2da1 h ALA 41 N 0.07 2.96 0.04 6.32 0.00 -1.14 0.24 119.26 127.75 2da1 h ALA 41 Ca -0.02 -0.04 -0.37 0.00 0.00 0.00 0.00 54.91 54.48 2da1 h ALA 41 Cb 1.04 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 2da1 h ALA 41 CO 0.02 -1.57 -2.13 -3.47 0.00 0.00 0.00 179.25 172.10 2da1 n ASP 42 N -3.63 2.00 -0.26 0.00 -0.08 -1.09 -1.35 116.55 112.14 2da1 n ASP 42 Ca 0.24 0.16 0.08 0.00 -1.51 0.00 0.00 54.79 53.76 2da1 n ASP 42 Cb 1.36 -0.73 0.33 0.00 2.34 0.00 0.00 41.12 44.42 2da1 n ASP 42 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 2da1 h LYS 43 N -0.36 0.79 0.00 -0.67 1.57 -0.04 -3.19 116.57 114.68 2da1 h LYS 43 Ca -0.52 -0.05 -0.37 0.00 -1.87 0.00 0.00 60.65 57.85 2da1 h LYS 43 Cb 1.78 -0.18 -0.06 0.00 0.08 0.00 0.00 32.23 33.85 2da1 h LYS 43 CO -0.13 0.52 -2.33 -1.13 -0.57 0.00 0.00 179.45 175.82 2da1 n SER 44 N -4.52 2.06 0.00 0.86 3.41 0.36 -5.03 113.62 110.76 2da1 n SER 44 Ca 0.15 0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 2da1 n SER 44 Cb 0.33 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 2da1 n SER 44 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2da1 n GLY 45 N 2.10 0.93 3.83 5.00 0.00 -0.45 -5.02 105.19 111.57 2da1 n GLY 45 Ca -0.43 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.26 2da1 n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2da1 s LEU 46 N 0.00 3.77 1.21 0.99 1.43 -1.07 -4.90 118.68 120.12 2da1 s LEU 46 Ca 0.00 1.59 -0.20 0.00 -1.03 0.00 0.00 54.13 54.49 2da1 s LEU 46 Cb 0.00 -4.49 0.29 0.00 0.03 0.00 0.00 46.19 42.03 2da1 s LEU 46 CO 0.00 -0.47 1.11 -2.16 0.23 0.00 0.00 176.35 175.06 2da1 s PRO 47 N -3.67 -1.32 0.16 1.29 0.04 -1.26 -4.13 135.00 126.11 2da1 s PRO 47 Ca 0.60 -0.10 0.09 0.00 0.04 0.00 0.00 61.00 61.62 2da1 s PRO 47 Cb -0.10 -1.59 -0.13 0.00 0.04 0.00 0.00 34.50 32.73 2da1 s PRO 47 CO 0.23 -3.77 1.33 1.96 0.04 0.00 0.00 177.00 176.79 2da1 h GLN 48 N -2.62 0.00 -0.18 4.56 4.20 -1.95 -3.00 115.11 116.11 2da1 h GLN 48 Ca -0.44 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.11 2da1 h GLN 48 Cb 1.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.07 2da1 h GLN 48 CO 0.33 0.88 -0.50 1.57 -0.67 0.00 0.00 178.83 180.43 2da1 h LYS 49 N 0.00 0.66 -0.37 1.46 2.10 -1.97 -1.41 116.57 117.04 2da1 h LYS 49 Ca -0.01 -0.47 -0.05 0.00 -2.00 0.00 0.00 60.65 58.12 2da1 h LYS 49 Cb 1.66 0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 33.05 2da1 h LYS 49 CO 0.11 1.09 0.04 0.28 -2.00 0.00 0.00 179.45 178.97 2da1 h VAL 50 N 0.35 1.25 0.33 0.07 2.07 -1.95 0.02 116.25 118.39 2da1 h VAL 50 Ca -0.01 -0.89 -0.02 0.00 0.82 0.00 0.00 66.70 66.60 2da1 h VAL 50 Cb 1.12 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 2da1 h VAL 50 CO 0.11 0.30 -0.16 0.40 0.02 0.00 0.00 177.57 178.24 2da1 h ILE 51 N 0.45 0.67 -0.49 4.57 2.04 -1.57 -0.26 117.51 122.92 2da1 h ILE 51 Ca 0.11 -0.51 0.05 0.00 1.00 0.00 0.00 64.86 65.51 2da1 h ILE 51 Cb 0.39 0.93 -0.05 0.00 -0.74 0.00 0.00 36.82 37.36 2da1 h ILE 51 CO 0.01 0.10 0.22 0.11 0.00 0.00 0.00 178.15 178.59 2da1 h LYS 52 N -0.73 0.42 -0.72 2.37 1.57 -1.29 -1.52 116.57 116.67 2da1 h LYS 52 Ca -0.04 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 2da1 h LYS 52 Cb 0.50 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.68 2da1 h LYS 52 CO 0.07 0.28 0.35 1.25 -0.57 0.00 0.00 179.45 180.83 2da1 h HIS 53 N 0.44 1.03 -0.03 -1.35 2.76 -0.99 -1.82 115.15 115.19 2da1 h HIS 53 Ca 0.22 -0.05 0.01 0.00 -2.20 0.00 0.00 60.37 58.36 2da1 h HIS 53 Cb 0.17 -0.32 -0.02 0.00 1.55 0.00 0.00 27.41 28.79 2da1 h HIS 53 CO -0.12 0.76 -0.05 2.35 -1.30 0.00 0.00 177.93 179.56 2da1 h TRP 54 N 1.00 -0.13 -0.73 5.26 7.01 -0.36 0.25 115.95 128.25 2da1 h TRP 54 Ca 0.25 0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.27 2da1 h TRP 54 Cb 0.11 0.06 -0.04 0.00 -2.10 0.00 0.00 29.16 27.19 2da1 h TRP 54 CO 0.01 -0.09 0.48 0.74 -2.79 0.00 0.00 178.44 176.78 2da1 h PHE 55 N -0.08 0.90 0.49 2.65 0.04 -1.14 -0.66 116.94 119.14 2da1 h PHE 55 Ca 0.03 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.80 2da1 h PHE 55 Cb 0.13 -0.30 0.00 0.00 2.20 0.00 0.00 35.95 37.98 2da1 h PHE 55 CO -0.14 0.55 -0.23 -0.09 -0.60 0.00 0.00 178.31 177.80 2da1 h ARG 56 N 0.96 -0.63 -0.61 1.51 2.43 -0.96 0.34 114.38 117.43 2da1 h ARG 56 Ca 0.27 0.04 0.12 0.00 -0.81 0.00 0.00 59.98 59.60 2da1 h ARG 56 Cb -0.08 0.14 -0.12 0.00 -0.42 0.00 0.00 29.97 29.50 2da1 h ARG 56 CO -0.07 -0.42 -0.25 -0.97 -1.51 0.00 0.00 179.97 176.74 2da1 h ASN 57 N -0.84 -0.90 0.39 -3.80 -1.24 -0.51 0.36 115.58 109.04 2da1 h ASN 57 Ca -0.07 0.21 -0.02 0.00 0.71 0.00 0.00 56.30 57.13 2da1 h ASN 57 Cb 0.50 0.49 0.00 0.00 0.73 0.00 0.00 38.32 40.05 2da1 h ASN 57 CO 0.11 -0.27 -0.19 0.74 -1.29 0.00 0.00 177.43 176.54 2da1 h THR 58 N -0.10 0.00 -0.71 -3.57 2.02 -1.17 -3.15 112.91 106.24 2da1 h THR 58 Ca 0.27 -0.13 0.07 0.00 0.77 0.00 0.00 66.41 67.39 2da1 h THR 58 Cb 0.52 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.83 2da1 h THR 58 CO -0.67 0.00 -0.56 0.25 0.37 0.00 0.00 175.52 174.91 2da1 h LEU 59 N -0.65 -1.98 -1.26 2.58 5.85 -0.07 0.53 115.31 120.30 2da1 h LEU 59 Ca -0.05 0.29 0.45 0.00 0.84 0.00 0.00 57.88 59.40 2da1 h LEU 59 Cb 0.40 0.85 -0.14 0.00 0.37 0.00 0.00 40.66 42.14 2da1 h LEU 59 CO 0.09 -0.32 0.79 0.33 -0.34 0.00 0.00 178.44 178.99 2da1 n PHE 60 N -5.32 0.77 0.10 1.25 7.35 0.13 0.21 117.46 121.95 2da1 n PHE 60 Ca -0.00 0.78 -0.19 0.00 -0.76 0.00 0.00 57.45 57.28 2da1 n PHE 60 Cb 0.31 -1.21 -0.15 0.00 0.35 0.00 0.00 39.48 38.78 2da1 n PHE 60 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 2da1 h LYS 61 N 0.00 0.34 -0.02 -4.13 6.56 0.02 -3.09 116.57 116.25 2da1 h LYS 61 Ca 0.85 -0.58 -0.00 0.00 -1.06 0.00 0.00 60.65 59.86 2da1 h LYS 61 Cb 2.63 0.21 -0.00 0.00 -0.57 0.00 0.00 32.23 34.51 2da1 h LYS 61 CO -0.51 1.26 0.00 0.93 -2.06 0.00 0.00 179.45 179.07 2da1 h GLU 62 N 0.09 0.03 -0.60 3.15 4.39 0.42 -3.10 114.58 118.96 2da1 h GLU 62 Ca -0.20 -0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.53 2da1 h GLU 62 Cb 2.04 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 30.64 2da1 h GLU 62 CO 0.21 0.24 0.37 0.00 -1.16 0.00 0.00 179.01 178.67 2da1 h ARG 63 N -0.20 0.70 -7.44 2.33 2.47 -0.80 -3.43 114.38 108.01 2da1 h ARG 63 Ca 0.01 -0.04 -0.49 0.00 -1.26 0.00 0.00 59.98 58.19 2da1 h ARG 63 Cb 0.23 -0.16 0.08 0.00 -1.65 0.00 0.00 29.97 28.47 2da1 h ARG 63 CO 0.00 0.46 0.40 1.14 0.56 0.00 0.00 179.97 182.53 2da1 s GLN 64 N -6.13 2.88 -0.28 0.04 1.03 -1.17 -5.09 119.66 110.94 2da1 s GLN 64 Ca -0.13 0.43 -0.19 0.00 0.04 0.00 0.00 55.36 55.51 2da1 s GLN 64 Cb 0.14 -2.04 0.10 0.00 0.03 0.00 0.00 33.01 31.24 2da1 s GLN 64 CO 0.75 -0.99 0.82 0.45 -2.54 0.00 0.00 175.29 173.78 2da1 s SER 65 N -4.35 -0.73 0.00 12.60 0.15 -1.26 -4.86 113.70 115.25 2da1 s SER 65 Ca 0.58 1.22 0.00 0.00 0.70 0.00 0.00 55.95 58.45 2da1 s SER 65 Cb -0.11 1.28 0.00 0.00 -1.71 0.00 0.00 66.02 65.48 2da1 s SER 65 CO 0.51 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.36 2da1 n GLY 66 N 3.62 0.85 3.59 9.45 0.00 -1.26 -5.04 105.19 116.40 2da1 n GLY 66 Ca -0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 2da1 n GLY 66 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2da1 s PRO 67 N 0.25 -1.27 -0.15 1.61 0.04 -1.26 -5.03 135.00 129.19 2da1 s PRO 67 Ca 0.00 -0.08 -0.02 0.00 0.04 0.00 0.00 61.00 60.94 2da1 s PRO 67 Cb 0.00 -1.59 -0.08 0.00 0.04 0.00 0.00 34.50 32.86 2da1 s PRO 67 CO 0.00 -3.74 -0.16 -1.13 0.04 0.00 0.00 177.00 172.01 2da1 n SER 68 N -4.78 2.20 -3.80 6.66 3.41 -1.26 -5.09 113.62 110.96 2da1 n SER 68 Ca 0.13 0.02 -0.11 0.00 -0.26 0.00 0.00 58.87 58.66 2da1 n SER 68 Cb 0.59 -0.32 -0.05 0.00 -0.26 0.00 0.00 64.21 64.18 2da1 n SER 68 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2da1 s SER 69 N -5.78 0.15 0.00 4.04 1.04 -1.26 -5.28 113.70 106.61 2da1 s SER 69 Ca -0.20 -1.10 0.00 0.00 0.48 0.00 0.00 55.95 55.12 2da1 s SER 69 Cb 0.06 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.78 2da1 s SER 69 CO 0.31 -1.17 0.00 0.61 0.98 0.00 0.00 173.24 173.97