#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2da1 s SER 2 N 0.00 6.32 -0.05 1.61 0.15 -1.26 -4.89 113.70 115.57 2da1 s SER 2 Ca 0.00 2.44 -0.01 0.00 0.70 0.00 0.00 55.95 59.08 2da1 s SER 2 Cb 0.00 -2.62 -0.00 0.00 -1.71 0.00 0.00 66.02 61.69 2da1 s SER 2 CO 0.00 -0.82 2.22 -1.20 1.20 0.00 0.00 173.24 174.64 2da1 n SER 3 N -0.10 5.51 -2.97 5.45 7.64 -1.26 -4.70 113.62 123.19 2da1 n SER 3 Ca 0.05 -2.52 -0.13 0.00 1.01 0.00 0.00 58.87 57.28 2da1 n SER 3 Cb 0.46 -1.16 0.07 0.00 -1.01 0.00 0.00 64.21 62.57 2da1 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2da1 n GLY 4 N 1.46 -0.46 3.74 0.23 0.00 -1.26 -3.13 105.19 105.77 2da1 n GLY 4 Ca 0.10 0.18 -0.24 0.00 0.00 0.00 0.00 46.02 46.06 2da1 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2da1 n SER 5 N -2.82 -3.21 0.24 1.61 2.88 -1.26 -4.78 113.62 106.28 2da1 n SER 5 Ca -0.16 -0.75 0.11 0.00 -1.33 0.00 0.00 58.87 56.74 2da1 n SER 5 Cb 0.62 -4.22 0.41 0.00 -0.75 0.00 0.00 64.21 60.28 2da1 n SER 5 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2da1 h SER 6 N -2.06 0.00 0.00 -3.46 4.64 -1.92 -3.45 113.55 107.30 2da1 h SER 6 Ca -0.59 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.73 2da1 h SER 6 Cb 1.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 2da1 h SER 6 CO 0.60 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.17 2da1 n GLY 7 N -1.43 3.48 3.24 -0.77 0.00 -1.26 -4.68 105.19 103.77 2da1 n GLY 7 Ca 0.03 -0.10 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 2da1 n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2da1 s LYS 8 N 0.00 1.46 0.04 1.61 0.00 -1.26 -5.15 119.74 116.44 2da1 s LYS 8 Ca 0.00 -0.89 -0.00 0.00 0.00 0.00 0.00 55.97 55.08 2da1 s LYS 8 Cb 0.00 -1.53 -0.03 0.00 0.00 0.00 0.00 37.83 36.27 2da1 s LYS 8 CO 0.00 0.40 -0.03 1.03 0.00 0.00 0.00 175.35 176.74 2da1 s ARG 9 N -1.00 0.47 0.00 1.78 3.00 -1.26 -5.03 118.95 116.92 2da1 s ARG 9 Ca 0.08 -0.91 0.15 0.00 0.00 0.00 0.00 55.73 55.04 2da1 s ARG 9 Cb -0.09 0.11 0.70 0.00 0.00 0.00 0.00 34.95 35.68 2da1 s ARG 9 CO 0.01 -0.07 1.42 -0.35 0.00 0.00 0.00 175.30 176.31 2da1 n PRO 10 N 0.89 0.15 -3.60 3.54 -0.04 -1.26 -4.75 135.00 129.94 2da1 n PRO 10 Ca -0.19 0.18 -0.11 0.00 -0.04 0.00 0.00 63.50 63.34 2da1 n PRO 10 Cb 0.58 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.48 2da1 n PRO 10 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2da1 s ARG 11 N -2.70 0.61 -0.28 0.54 1.70 -1.26 -5.17 118.95 112.40 2da1 s ARG 11 Ca 0.12 0.38 -0.19 0.00 -0.47 0.00 0.00 55.73 55.56 2da1 s ARG 11 Cb 0.10 0.29 0.09 0.00 -0.57 0.00 0.00 34.95 34.86 2da1 s ARG 11 CO 0.23 -0.15 0.76 0.99 -1.08 0.00 0.00 175.30 176.06 2da1 s THR 12 N -0.52 0.00 0.02 4.99 2.01 -1.26 -5.15 115.64 115.74 2da1 s THR 12 Ca -0.01 0.00 -0.26 0.00 0.31 0.00 0.00 61.69 61.73 2da1 s THR 12 Cb -0.02 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.44 2da1 s THR 12 CO -0.01 0.00 0.81 -0.60 -0.69 0.00 0.00 174.62 174.13 2da1 s ARG 13 N 1.16 4.52 0.39 4.92 3.52 -1.26 -5.03 118.95 127.16 2da1 s ARG 13 Ca -0.06 1.12 -0.26 0.00 -0.13 0.00 0.00 55.73 56.40 2da1 s ARG 13 Cb -0.05 -3.40 -0.09 0.00 -1.56 0.00 0.00 34.95 29.86 2da1 s ARG 13 CO -0.13 0.18 1.19 0.42 -0.81 0.00 0.00 175.30 176.16 2da1 s ILE 14 N 0.27 3.06 0.40 4.11 1.01 -1.26 -5.03 121.20 123.76 2da1 s ILE 14 Ca 0.41 0.92 -0.02 0.00 0.00 0.00 0.00 60.65 61.96 2da1 s ILE 14 Cb -0.20 -3.53 -0.03 0.00 0.01 0.00 0.00 42.46 38.71 2da1 s ILE 14 CO 0.23 0.11 0.64 0.42 0.00 0.00 0.00 174.94 176.35 2da1 s THR 15 N -1.36 5.02 0.27 2.92 -4.23 -1.26 -4.92 115.64 112.08 2da1 s THR 15 Ca 0.56 -0.18 -0.04 0.00 -1.18 0.00 0.00 61.69 60.84 2da1 s THR 15 Cb -0.32 -3.86 0.25 0.00 1.34 0.00 0.00 72.50 69.91 2da1 s THR 15 CO 0.41 -0.67 1.93 -2.24 -0.54 0.00 0.00 174.62 173.51 2da1 h ASP 16 N 0.56 1.05 0.86 3.99 2.03 -1.99 0.16 116.42 123.07 2da1 h ASP 16 Ca -0.49 -0.04 -0.00 0.00 -0.73 0.00 0.00 57.03 55.77 2da1 h ASP 16 Cb 1.21 -0.26 -0.00 0.00 -0.83 0.00 0.00 39.33 39.45 2da1 h ASP 16 CO 0.62 0.78 -0.01 0.44 -1.03 0.00 0.00 179.24 180.03 2da1 h ASP 17 N 1.23 0.00 0.32 4.15 3.32 -2.01 -2.36 116.42 121.07 2da1 h ASP 17 Ca 0.33 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 57.06 2da1 h ASP 17 Cb -0.11 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.39 2da1 h ASP 17 CO -0.07 0.01 -1.91 0.00 -1.72 0.00 0.00 179.24 175.55 2da1 n GLN 18 N -3.12 0.66 -0.06 3.56 6.02 -0.33 -4.21 117.38 119.90 2da1 n GLN 18 Ca 0.00 0.23 -0.12 0.00 -0.01 0.00 0.00 57.00 57.09 2da1 n GLN 18 Cb 0.28 -1.72 -0.06 0.00 1.02 0.00 0.00 30.24 29.76 2da1 n GLN 18 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2da1 h LEU 19 N 0.01 0.40 -0.93 1.08 5.85 -0.52 -3.09 115.31 118.10 2da1 h LEU 19 Ca -0.37 -0.42 0.22 0.00 0.84 0.00 0.00 57.88 58.15 2da1 h LEU 19 Cb 2.06 -0.11 -0.12 0.00 0.37 0.00 0.00 40.66 42.86 2da1 h LEU 19 CO 0.06 0.73 0.48 0.08 -0.34 0.00 0.00 178.44 179.45 2da1 h ARG 20 N 0.07 0.48 -0.69 1.25 0.11 -1.62 0.21 114.38 114.19 2da1 h ARG 20 Ca 0.04 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.09 2da1 h ARG 20 Cb 0.59 -0.11 -0.03 0.00 1.11 0.00 0.00 29.97 31.52 2da1 h ARG 20 CO 0.03 0.32 0.43 0.28 0.10 0.00 0.00 179.97 181.13 2da1 h VAL 21 N 0.49 1.19 -0.24 0.08 2.07 -1.71 -0.16 116.25 117.98 2da1 h VAL 21 Ca 0.58 -0.39 -0.16 0.00 0.82 0.00 0.00 66.70 67.55 2da1 h VAL 21 Cb 1.08 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 2da1 h VAL 21 CO -0.49 0.19 -0.51 -0.07 0.02 0.00 0.00 177.57 176.71 2da1 h LEU 22 N 0.94 0.75 -0.08 2.57 3.38 -0.71 -3.21 115.31 118.94 2da1 h LEU 22 Ca 0.25 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 2da1 h LEU 22 Cb -0.06 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.47 2da1 h LEU 22 CO -0.05 1.12 0.02 0.03 0.09 0.00 0.00 178.44 179.66 2da1 h ARG 23 N 0.53 0.12 -0.82 1.13 2.47 -0.39 -1.54 114.38 115.88 2da1 h ARG 23 Ca 0.02 -0.03 0.20 0.00 -1.26 0.00 0.00 59.98 58.92 2da1 h ARG 23 Cb 1.07 -0.02 -0.13 0.00 -1.65 0.00 0.00 29.97 29.24 2da1 h ARG 23 CO 0.10 0.30 0.19 1.96 0.56 0.00 0.00 179.97 183.08 2da1 h GLN 24 N -0.07 0.21 -0.01 0.04 1.08 -1.05 0.42 115.11 115.73 2da1 h GLN 24 Ca 0.03 -0.01 -0.15 0.00 -1.45 0.00 0.00 58.65 57.06 2da1 h GLN 24 Cb 0.23 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.59 2da1 h GLN 24 CO -0.00 0.14 -0.69 1.88 -0.95 0.00 0.00 178.83 179.21 2da1 h TYR 25 N 0.22 0.06 0.24 2.96 -1.99 -1.53 -3.25 116.97 113.68 2da1 h TYR 25 Ca 0.49 -0.02 0.01 0.00 2.00 0.00 0.00 58.73 61.21 2da1 h TYR 25 Cb 0.94 -0.01 -0.04 0.00 2.00 0.00 0.00 36.73 39.62 2da1 h TYR 25 CO -0.28 0.72 -0.46 0.35 -0.00 0.00 0.00 178.16 178.48 2da1 h PHE 26 N 0.03 -1.30 -0.15 4.88 3.57 0.88 -0.20 116.94 124.65 2da1 h PHE 26 Ca -0.01 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.56 2da1 h PHE 26 Cb 1.22 0.54 -0.06 0.00 2.79 0.00 0.00 35.95 40.44 2da1 h PHE 26 CO 0.00 -0.58 -0.24 -0.44 -2.23 0.00 0.00 178.31 174.83 2da1 h ASP 27 N -0.78 -0.75 -1.00 0.41 5.19 -1.53 -1.25 116.42 116.72 2da1 h ASP 27 Ca -0.01 0.12 0.19 0.00 -0.62 0.00 0.00 57.03 56.71 2da1 h ASP 27 Cb 0.75 0.33 -0.11 0.00 0.18 0.00 0.00 39.33 40.49 2da1 h ASP 27 CO -0.19 -0.29 0.60 0.40 -3.12 0.00 0.00 179.24 176.64 2da1 h ILE 28 N -0.29 0.71 -2.34 0.35 2.04 -1.53 -3.41 117.51 113.03 2da1 h ILE 28 Ca 0.11 -0.26 -0.06 0.00 1.00 0.00 0.00 64.86 65.65 2da1 h ILE 28 Cb 0.45 -0.12 -0.24 0.00 -0.74 0.00 0.00 36.82 36.18 2da1 h ILE 28 CO -0.32 0.14 -0.12 0.54 0.00 0.00 0.00 178.15 178.39 2da1 s ASN 29 N -5.42 -0.70 0.00 1.72 4.22 -0.11 -5.08 114.94 109.58 2da1 s ASN 29 Ca -0.11 1.18 -0.00 0.00 -2.14 0.00 0.00 52.86 51.79 2da1 s ASN 29 Cb 0.25 1.09 -0.00 0.00 1.28 0.00 0.00 41.25 43.87 2da1 s ASN 29 CO 0.80 -0.21 1.00 0.78 -2.04 0.00 0.00 177.10 177.43 2da1 h ASN 30 N 6.66 -0.01 -3.64 3.54 -0.26 -1.78 -3.35 115.58 116.74 2da1 h ASN 30 Ca -0.32 0.00 -0.68 0.00 -0.56 0.00 0.00 56.30 54.74 2da1 h ASN 30 Cb 1.20 0.00 -0.18 0.00 -1.06 0.00 0.00 38.32 38.28 2da1 h ASN 30 CO 0.21 -0.00 -0.71 -0.55 -1.06 0.00 0.00 177.43 175.32 2da1 s SER 31 N -3.00 4.58 0.91 5.81 0.15 -1.26 -4.73 113.70 116.16 2da1 s SER 31 Ca -0.00 -0.15 -0.12 0.00 0.70 0.00 0.00 55.95 56.39 2da1 s SER 31 Cb 0.00 -1.06 0.14 0.00 -1.71 0.00 0.00 66.02 63.39 2da1 s SER 31 CO 0.00 0.29 1.09 -2.16 1.20 0.00 0.00 173.24 173.66 2da1 s PRO 32 N -1.34 1.15 0.10 5.44 0.04 -1.26 -5.06 135.00 134.06 2da1 s PRO 32 Ca 0.16 0.78 0.04 0.00 0.04 0.00 0.00 61.00 62.02 2da1 s PRO 32 Cb -0.11 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 2da1 s PRO 32 CO 0.07 -2.30 0.06 0.45 0.04 0.00 0.00 177.00 175.31 2da1 s SER 33 N -3.43 5.37 0.52 6.66 0.15 -1.26 -4.84 113.70 116.87 2da1 s SER 33 Ca 0.64 -0.08 0.44 0.00 0.70 0.00 0.00 55.95 57.65 2da1 s SER 33 Cb -0.18 -1.39 1.51 0.00 -1.71 0.00 0.00 66.02 64.26 2da1 s SER 33 CO 0.57 0.16 1.42 -0.62 1.20 0.00 0.00 173.24 175.97 2da1 n GLU 34 N 0.37 0.00 0.07 5.44 1.02 -1.26 0.23 120.64 126.51 2da1 n GLU 34 Ca -0.09 1.00 -0.21 0.00 -0.02 0.00 0.00 57.16 57.84 2da1 n GLU 34 Cb 0.52 -2.33 -0.13 0.00 -0.02 0.00 0.00 31.44 29.47 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 0.47 -0.00 3.49 5.08 -2.00 -3.27 114.58 118.35 2da1 h GLU 35 Ca 0.82 -0.66 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2da1 h GLU 35 Cb 3.42 0.23 0.00 0.00 0.50 0.00 0.00 28.75 32.90 2da1 h GLU 35 CO -0.01 1.29 -0.00 1.96 -1.00 0.00 0.00 179.01 181.25 2da1 h GLN 36 N -0.02 0.00 -1.14 2.33 4.20 0.26 -2.20 115.11 118.55 2da1 h GLN 36 Ca -0.16 -0.00 0.33 0.00 0.06 0.00 0.00 58.65 58.88 2da1 h GLN 36 Cb 1.73 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 29.46 2da1 h GLN 36 CO 0.19 0.57 0.89 0.82 -0.67 0.00 0.00 178.83 180.63 2da1 h ILE 37 N -0.56 0.32 0.00 2.54 2.04 -0.90 0.18 117.51 121.12 2da1 h ILE 37 Ca 0.00 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.74 2da1 h ILE 37 Cb 0.57 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 2da1 h ILE 37 CO 0.00 0.00 -0.66 0.50 0.00 0.00 0.00 178.15 177.99 2da1 h LYS 38 N 0.00 0.00 -0.51 2.37 1.63 -1.59 -2.60 116.57 115.88 2da1 h LYS 38 Ca 0.54 0.00 0.13 0.00 -0.85 0.00 0.00 60.65 60.47 2da1 h LYS 38 Cb 2.32 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 33.92 2da1 h LYS 38 CO -0.01 0.93 0.36 1.05 -3.45 0.00 0.00 179.45 178.33 2da1 h GLU 39 N -1.00 0.12 0.02 1.90 4.11 -0.41 -2.33 114.58 116.98 2da1 h GLU 39 Ca -0.18 -0.01 -0.06 0.00 0.07 0.00 0.00 59.36 59.18 2da1 h GLU 39 Cb 1.10 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 2da1 h GLU 39 CO -0.11 0.08 -0.31 0.52 0.07 0.00 0.00 179.01 179.26 2da1 h MET 40 N 0.12 0.04 -1.07 1.06 2.86 -0.87 -2.47 114.93 114.60 2da1 h MET 40 Ca 0.24 -0.07 0.31 0.00 -2.06 0.00 0.00 59.70 58.13 2da1 h MET 40 Cb 0.80 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.44 2da1 h MET 40 CO -0.03 1.03 0.97 0.00 1.06 0.00 0.00 176.91 179.94 2da1 h ALA 41 N -0.06 2.95 0.05 6.32 0.00 -1.01 0.22 119.26 127.73 2da1 h ALA 41 Ca -0.07 -0.04 -0.36 0.00 0.00 0.00 0.00 54.91 54.44 2da1 h ALA 41 Cb 1.14 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 2da1 h ALA 41 CO -0.01 -1.52 -2.08 -3.47 0.00 0.00 0.00 179.25 172.17 2da1 n ASP 42 N -3.71 2.02 -0.36 0.00 -0.08 -1.05 -1.51 116.55 111.86 2da1 n ASP 42 Ca 0.23 0.16 0.05 0.00 -1.51 0.00 0.00 54.79 53.73 2da1 n ASP 42 Cb 1.31 -0.75 0.22 0.00 2.34 0.00 0.00 41.12 44.24 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 -0.25 1.04 0.00 -0.67 1.57 -0.19 -3.23 116.57 114.84 2da1 h LYS 43 Ca -0.49 -0.06 -0.43 0.00 -1.87 0.00 0.00 60.65 57.80 2da1 h LYS 43 Cb 1.83 -0.23 -0.06 0.00 0.08 0.00 0.00 32.23 33.84 2da1 h LYS 43 CO -0.07 0.69 -2.38 -1.13 -0.57 0.00 0.00 179.45 175.99 2da1 n SER 44 N -4.56 1.96 0.00 0.86 3.41 0.17 -5.03 113.62 110.42 2da1 n SER 44 Ca 0.17 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 59.05 2da1 n SER 44 Cb 0.28 -0.77 0.00 0.00 -0.26 0.00 0.00 64.21 63.46 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 1.47 1.00 3.86 5.00 0.00 -0.57 -5.05 105.19 110.89 2da1 n GLY 45 Ca -0.50 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.20 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 3.94 1.09 0.99 1.43 -1.07 -4.92 118.68 120.14 2da1 s LEU 46 Ca 0.00 1.27 -0.15 0.00 -1.03 0.00 0.00 54.13 54.21 2da1 s LEU 46 Cb 0.00 -4.11 0.23 0.00 0.03 0.00 0.00 46.19 42.34 2da1 s LEU 46 CO 0.00 -0.31 1.10 -2.16 0.23 0.00 0.00 176.35 175.21 2da1 s PRO 47 N -3.40 -0.33 0.44 1.29 0.04 -1.26 -4.19 135.00 127.60 2da1 s PRO 47 Ca 0.54 0.26 0.26 0.00 0.04 0.00 0.00 61.00 62.10 2da1 s PRO 47 Cb -0.10 -1.67 0.71 0.00 0.04 0.00 0.00 34.50 33.47 2da1 s PRO 47 CO 0.23 -3.18 1.74 1.96 0.04 0.00 0.00 177.00 177.79 2da1 h GLN 48 N -2.21 0.00 0.09 4.56 4.20 -1.95 -2.92 115.11 116.88 2da1 h GLN 48 Ca -0.51 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 57.93 2da1 h GLN 48 Cb 1.32 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.09 2da1 h GLN 48 CO 0.48 0.00 -1.26 1.57 -0.67 0.00 0.00 178.83 178.95 2da1 h LYS 49 N 0.00 0.20 -0.06 1.46 2.10 -1.97 -2.59 116.57 115.70 2da1 h LYS 49 Ca 0.00 -0.34 -0.08 0.00 -2.00 0.00 0.00 60.65 58.23 2da1 h LYS 49 Cb 0.81 0.13 0.00 0.00 -0.90 0.00 0.00 32.23 32.27 2da1 h LYS 49 CO 0.00 1.13 -0.26 0.28 -2.00 0.00 0.00 179.45 178.60 2da1 h VAL 50 N 0.05 1.43 0.47 0.07 2.07 -1.92 -2.71 116.25 115.72 2da1 h VAL 50 Ca -0.13 -1.67 -0.02 0.00 0.82 0.00 0.00 66.70 65.70 2da1 h VAL 50 Cb 1.94 2.33 0.00 0.00 -1.52 0.00 0.00 31.29 34.04 2da1 h VAL 50 CO 0.18 0.47 -0.22 0.40 0.02 0.00 0.00 177.57 178.42 2da1 h ILE 51 N -0.22 0.42 -0.68 4.57 2.04 -1.64 -1.48 117.51 120.52 2da1 h ILE 51 Ca -0.01 -0.45 0.15 0.00 1.00 0.00 0.00 64.86 65.54 2da1 h ILE 51 Cb 0.90 0.59 -0.12 0.00 -0.74 0.00 0.00 36.82 37.46 2da1 h ILE 51 CO 0.05 0.06 0.02 0.11 0.00 0.00 0.00 178.15 178.40 2da1 h LYS 52 N -0.94 0.12 0.71 2.37 1.57 -1.60 -1.60 116.57 117.21 2da1 h LYS 52 Ca -0.06 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 2da1 h LYS 52 Cb 0.58 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.87 2da1 h LYS 52 CO 0.11 0.08 -0.34 0.45 -0.57 0.00 0.00 179.45 179.18 2da1 h HIS 53 N 0.13 -0.89 -0.95 -1.35 3.86 -1.48 -2.67 115.15 111.80 2da1 h HIS 53 Ca 0.37 -0.02 0.30 0.00 -1.16 0.00 0.00 60.37 59.85 2da1 h HIS 53 Cb 0.62 0.29 -0.16 0.00 1.06 0.00 0.00 27.41 29.22 2da1 h HIS 53 CO -0.38 -0.54 0.29 2.35 0.86 0.00 0.00 177.93 180.52 2da1 h TRP 54 N -1.01 0.43 -0.55 2.45 7.01 -0.54 0.67 115.95 124.40 2da1 h TRP 54 Ca -0.10 0.05 -0.01 0.00 2.11 0.00 0.00 58.89 60.94 2da1 h TRP 54 Cb 0.75 -0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 27.75 2da1 h TRP 54 CO -0.02 -0.33 0.31 0.74 -2.79 0.00 0.00 178.44 176.35 2da1 h PHE 55 N 0.12 0.76 0.52 2.65 0.04 -1.10 0.12 116.94 120.05 2da1 h PHE 55 Ca 0.66 -0.02 -0.03 0.00 2.80 0.00 0.00 57.97 61.39 2da1 h PHE 55 Cb 1.48 -0.24 0.01 0.00 2.20 0.00 0.00 35.95 39.40 2da1 h PHE 55 CO -0.24 0.55 -0.25 -0.09 -0.60 0.00 0.00 178.31 177.68 2da1 h ARG 56 N 0.74 -0.67 -0.49 1.51 9.65 0.55 0.40 114.38 126.07 2da1 h ARG 56 Ca 0.19 0.05 0.08 0.00 -1.10 0.00 0.00 59.98 59.20 2da1 h ARG 56 Cb 0.04 0.15 -0.07 0.00 -1.39 0.00 0.00 29.97 28.71 2da1 h ARG 56 CO -0.03 -0.37 0.09 -0.97 2.80 0.00 0.00 179.97 181.49 2da1 h ASN 57 N -1.05 -0.01 0.21 -3.80 -1.24 -0.82 0.44 115.58 109.31 2da1 h ASN 57 Ca -0.07 0.09 -0.01 0.00 0.71 0.00 0.00 56.30 57.02 2da1 h ASN 57 Cb 0.61 0.12 0.00 0.00 0.73 0.00 0.00 38.32 39.79 2da1 h ASN 57 CO 0.12 0.03 -0.10 0.74 -1.29 0.00 0.00 177.43 176.92 2da1 h THR 58 N 0.23 0.87 0.37 -3.57 2.02 -0.80 -2.82 112.91 109.21 2da1 h THR 58 Ca 0.24 -0.68 -0.02 0.00 0.77 0.00 0.00 66.41 66.73 2da1 h THR 58 Cb 0.32 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 2da1 h THR 58 CO -0.32 0.15 -0.27 0.25 0.37 0.00 0.00 175.52 175.70 2da1 h LEU 59 N -0.64 -0.69 -0.94 2.58 5.85 0.09 -1.24 115.31 120.32 2da1 h LEU 59 Ca -0.03 0.04 0.29 0.00 0.84 0.00 0.00 57.88 59.03 2da1 h LEU 59 Cb 0.46 0.21 -0.17 0.00 0.37 0.00 0.00 40.66 41.52 2da1 h LEU 59 CO 0.05 -0.39 0.14 0.33 -0.34 0.00 0.00 178.44 178.23 2da1 n PHE 60 N -3.97 0.72 0.03 1.25 -0.00 0.15 0.63 117.46 116.27 2da1 n PHE 60 Ca -0.07 1.13 -0.12 0.00 -0.00 0.00 0.00 57.45 58.38 2da1 n PHE 60 Cb 0.26 -1.28 -0.08 0.00 -0.00 0.00 0.00 39.48 38.38 2da1 n PHE 60 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 2da1 h LYS 61 N 0.00 -0.01 -0.70 -4.13 3.64 -1.21 -2.22 116.57 111.93 2da1 h LYS 61 Ca 0.63 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 60.03 2da1 h LYS 61 Cb 1.41 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.19 2da1 h LYS 61 CO -0.85 0.14 0.45 0.93 -2.27 0.00 0.00 179.45 177.85 2da1 h GLU 62 N -0.16 0.86 -0.95 1.90 4.39 0.14 -2.22 114.58 118.53 2da1 h GLU 62 Ca -0.00 -0.05 0.05 0.00 0.34 0.00 0.00 59.36 59.70 2da1 h GLU 62 Cb 0.16 -0.19 -0.06 0.00 -0.10 0.00 0.00 28.75 28.56 2da1 h GLU 62 CO 0.00 0.57 0.61 0.00 -1.16 0.00 0.00 179.01 179.03 2da1 h ARG 63 N 0.89 1.11 -6.76 2.33 2.47 -0.50 -3.41 114.38 110.50 2da1 h ARG 63 Ca 0.28 -0.07 -0.49 0.00 -1.26 0.00 0.00 59.98 58.44 2da1 h ARG 63 Cb -0.01 -0.25 -0.02 0.00 -1.65 0.00 0.00 29.97 28.03 2da1 h ARG 63 CO -0.10 0.73 0.22 1.14 0.56 0.00 0.00 179.97 182.52 2da1 s GLN 64 N -6.06 4.32 -0.06 0.04 -2.07 -0.84 -5.07 119.66 109.91 2da1 s GLN 64 Ca -0.13 1.02 -0.25 0.00 -1.82 0.00 0.00 55.36 54.19 2da1 s GLN 64 Cb 0.19 -2.70 0.05 0.00 -1.09 0.00 0.00 33.01 29.47 2da1 s GLN 64 CO 0.81 0.27 0.56 -1.12 -1.32 0.00 0.00 175.29 174.48 2da1 s SER 65 N -1.80 -0.51 0.00 12.60 0.01 -1.26 -4.89 113.70 117.85 2da1 s SER 65 Ca 0.49 0.60 0.00 0.00 1.31 0.00 0.00 55.95 58.35 2da1 s SER 65 Cb -0.15 0.57 0.00 0.00 0.21 0.00 0.00 66.02 66.64 2da1 s SER 65 CO 0.20 -0.50 0.00 0.61 0.41 0.00 0.00 173.24 173.96 2da1 n GLY 66 N 1.28 2.37 0.26 3.44 0.00 -1.26 -4.90 105.19 106.38 2da1 n GLY 66 Ca -0.19 -0.41 0.14 0.00 0.00 0.00 0.00 46.02 45.56 2da1 n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2da1 h PRO 67 N 0.00 0.00 -5.03 1.61 0.13 -2.03 -3.45 132.00 123.23 2da1 h PRO 67 Ca 0.00 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.67 2da1 h PRO 67 Cb 0.00 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 30.99 2da1 h PRO 67 CO 0.00 0.10 -0.57 0.45 -0.23 0.00 0.00 178.00 177.75 2da1 s SER 68 N -5.92 2.07 -0.24 1.44 0.15 -1.26 -5.08 113.70 104.86 2da1 s SER 68 Ca 0.00 -1.51 -0.04 0.00 0.70 0.00 0.00 55.95 55.10 2da1 s SER 68 Cb 0.10 0.25 -0.14 0.00 -1.71 0.00 0.00 66.02 64.52 2da1 s SER 68 CO 0.58 -0.79 -0.26 -0.24 1.20 0.00 0.00 173.24 173.73 2da1 n SER 69 N -0.88 2.00 0.00 5.45 2.88 -1.26 -4.92 113.62 116.89 2da1 n SER 69 Ca -0.02 0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 2da1 n SER 69 Cb 0.66 -0.53 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 2da1 n SER 69 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42