#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 7.55 -0.24 1.61 0.01 -1.26 -5.05 113.70 116.33 2da1 s SER 2 Ca 0.00 1.87 -0.07 0.00 1.31 0.00 0.00 55.95 59.06 2da1 s SER 2 Cb 0.00 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.62 2da1 s SER 2 CO 0.00 0.14 0.06 -0.55 0.41 0.00 0.00 173.24 173.30 2da1 s SER 3 N -1.24 5.14 0.38 2.44 0.15 -1.26 -5.09 113.70 114.23 2da1 s SER 3 Ca 0.41 -0.18 -0.25 0.00 0.70 0.00 0.00 55.95 56.64 2da1 s SER 3 Cb -0.24 -1.91 -0.09 0.00 -1.71 0.00 0.00 66.02 62.06 2da1 s SER 3 CO 0.30 -0.00 1.04 -0.83 1.20 0.00 0.00 173.24 174.94 2da1 s GLY 4 N 1.41 2.76 -0.03 9.45 0.00 -1.26 -4.98 107.32 114.67 2da1 s GLY 4 Ca 0.05 0.69 -0.05 0.00 0.00 0.00 0.00 44.72 45.41 2da1 s GLY 4 CO 0.03 1.13 -0.11 -1.26 0.00 0.00 0.00 173.10 172.89 2da1 n SER 5 N 0.08 1.05 -4.92 1.64 2.88 -1.26 -5.05 113.62 108.03 2da1 n SER 5 Ca 0.04 0.16 -0.27 0.00 -1.33 0.00 0.00 58.87 57.47 2da1 n SER 5 Cb 0.49 -0.38 -0.03 0.00 -0.75 0.00 0.00 64.21 63.55 2da1 n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2da1 s SER 6 N -5.89 6.39 0.41 -3.46 1.04 -1.26 -5.12 113.70 105.81 2da1 s SER 6 Ca -0.10 0.44 0.04 0.00 0.48 0.00 0.00 55.95 56.80 2da1 s SER 6 Cb 0.03 -2.03 -0.03 0.00 0.10 0.00 0.00 66.02 64.09 2da1 s SER 6 CO 0.14 -0.06 0.11 -0.83 0.98 0.00 0.00 173.24 173.58 2da1 s GLY 7 N -3.17 2.58 -0.17 7.32 0.00 -1.26 -5.11 107.32 107.51 2da1 s GLY 7 Ca 0.39 -1.26 -0.29 0.00 0.00 0.00 0.00 44.72 43.56 2da1 s GLY 7 CO 0.29 -1.86 1.20 1.25 0.00 0.00 0.00 173.10 173.98 2da1 s LYS 8 N -3.75 4.25 0.03 2.90 2.20 -1.26 -5.02 119.74 119.10 2da1 s LYS 8 Ca 0.24 1.58 -0.00 0.00 -0.36 0.00 0.00 55.97 57.42 2da1 s LYS 8 Cb 0.03 -3.72 -0.03 0.00 -1.51 0.00 0.00 37.83 32.61 2da1 s LYS 8 CO 0.14 -0.66 -0.03 1.03 -0.36 0.00 0.00 175.35 175.46 2da1 s ARG 9 N 3.32 0.40 0.00 4.03 1.81 -1.26 -5.02 118.95 122.23 2da1 s ARG 9 Ca 0.52 -0.78 0.13 0.00 -1.72 0.00 0.00 55.73 53.88 2da1 s ARG 9 Cb -0.20 0.11 0.77 0.00 -0.45 0.00 0.00 34.95 35.19 2da1 s ARG 9 CO 0.13 -0.06 1.20 -0.35 -0.68 0.00 0.00 175.30 175.54 2da1 n PRO 10 N 1.20 0.49 -1.20 3.54 -0.04 -1.26 -4.81 135.00 132.92 2da1 n PRO 10 Ca -0.21 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 62.94 2da1 n PRO 10 Cb 0.57 -1.41 0.10 0.00 -0.04 0.00 0.00 33.50 32.72 2da1 n PRO 10 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2da1 s ARG 11 N -2.00 2.02 -0.80 0.54 0.52 -1.26 -4.93 118.95 113.03 2da1 s ARG 11 Ca 0.19 1.15 -0.03 0.00 -0.52 0.00 0.00 55.73 56.52 2da1 s ARG 11 Cb 0.09 -1.87 0.17 0.00 0.52 0.00 0.00 34.95 33.86 2da1 s ARG 11 CO 0.15 -1.81 2.40 0.25 0.02 0.00 0.00 175.30 176.31 2da1 n THR 12 N -3.63 4.15 -1.64 0.02 -2.24 -1.26 -5.00 114.28 104.68 2da1 n THR 12 Ca 0.09 -3.96 -0.48 0.00 -2.27 0.00 0.00 64.05 57.43 2da1 n THR 12 Cb 0.53 -1.61 -0.04 0.00 -2.10 0.00 0.00 70.33 67.11 2da1 n THR 12 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2da1 n ARG 13 N 0.61 1.75 -2.80 -0.78 3.00 -1.26 -4.93 116.66 112.24 2da1 n ARG 13 Ca 0.53 0.63 -0.40 0.00 -0.00 0.00 0.00 57.85 58.61 2da1 n ARG 13 Cb 0.38 -2.31 -0.06 0.00 0.00 0.00 0.00 32.46 30.46 2da1 n ARG 13 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2da1 s ILE 14 N 0.50 4.21 0.47 5.15 1.01 -1.26 -5.07 121.20 126.21 2da1 s ILE 14 Ca 0.78 1.99 0.08 0.00 0.00 0.00 0.00 60.65 63.50 2da1 s ILE 14 Cb -0.77 -4.28 0.02 0.00 0.01 0.00 0.00 42.46 37.44 2da1 s ILE 14 CO 0.44 0.48 0.52 0.28 0.00 0.00 0.00 174.94 176.66 2da1 s THR 15 N -0.99 2.48 0.51 2.92 -1.32 -1.26 -4.92 115.64 113.07 2da1 s THR 15 Ca 0.41 -1.20 0.18 0.00 -1.21 0.00 0.00 61.69 59.86 2da1 s THR 15 Cb -0.25 -2.68 0.27 0.00 -1.51 0.00 0.00 72.50 68.33 2da1 s THR 15 CO 0.30 0.00 2.14 0.44 -2.21 0.00 0.00 174.62 175.29 2da1 h ASP 16 N 0.70 0.00 0.69 8.08 3.32 -1.98 0.22 116.42 127.45 2da1 h ASP 16 Ca -0.38 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.53 2da1 h ASP 16 Cb 1.28 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.81 2da1 h ASP 16 CO 0.50 0.03 -0.67 0.44 -1.72 0.00 0.00 179.24 177.83 2da1 h ASP 17 N 0.00 0.00 0.40 6.45 5.19 -2.00 -1.66 116.42 124.81 2da1 h ASP 17 Ca -0.00 0.00 -0.31 0.00 -0.62 0.00 0.00 57.03 56.10 2da1 h ASP 17 Cb 0.06 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.55 2da1 h ASP 17 CO 0.00 0.67 -1.68 1.56 -3.12 0.00 0.00 179.24 176.68 2da1 h GLN 18 N 0.00 0.18 -0.01 3.56 4.20 -1.58 -3.35 115.11 118.11 2da1 h GLN 18 Ca -0.01 -0.30 -0.00 0.00 0.06 0.00 0.00 58.65 58.40 2da1 h GLN 18 Cb 1.20 0.11 -0.00 0.00 0.30 0.00 0.00 27.48 29.09 2da1 h GLN 18 CO 0.09 0.96 -0.01 1.25 -0.67 0.00 0.00 178.83 180.45 2da1 h LEU 19 N 0.05 0.03 -1.23 1.46 5.85 -0.64 -3.14 115.31 117.69 2da1 h LEU 19 Ca -0.29 -0.51 0.30 0.00 0.84 0.00 0.00 57.88 58.21 2da1 h LEU 19 Cb 2.01 -0.01 -0.12 0.00 0.37 0.00 0.00 40.66 42.92 2da1 h LEU 19 CO 0.12 0.53 0.66 0.08 -0.34 0.00 0.00 178.44 179.50 2da1 h ARG 20 N -0.48 0.37 -0.54 1.25 0.11 -1.47 0.40 114.38 114.02 2da1 h ARG 20 Ca 0.00 -0.02 -0.04 0.00 0.10 0.00 0.00 59.98 60.02 2da1 h ARG 20 Cb 0.53 -0.08 -0.02 0.00 1.11 0.00 0.00 29.97 31.50 2da1 h ARG 20 CO 0.00 0.24 0.17 0.28 0.10 0.00 0.00 179.97 180.77 2da1 h VAL 21 N 0.38 1.23 -0.10 0.08 2.07 -1.67 -1.37 116.25 116.86 2da1 h VAL 21 Ca 0.66 -0.78 -0.09 0.00 0.82 0.00 0.00 66.70 67.32 2da1 h VAL 21 Cb 1.64 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 2da1 h VAL 21 CO -0.41 0.29 -0.29 -0.07 0.02 0.00 0.00 177.57 177.11 2da1 h LEU 22 N 0.74 0.43 -0.25 2.57 3.38 -0.35 -3.28 115.31 118.55 2da1 h LEU 22 Ca 0.17 -0.60 0.05 0.00 0.09 0.00 0.00 57.88 57.59 2da1 h LEU 22 Cb 0.27 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 2da1 h LEU 22 CO -0.01 0.95 -0.04 0.03 0.09 0.00 0.00 178.44 179.46 2da1 h ARG 23 N -0.07 0.02 -0.79 1.13 2.47 -0.59 -2.46 114.38 114.09 2da1 h ARG 23 Ca -0.01 -0.00 0.14 0.00 -1.26 0.00 0.00 59.98 58.85 2da1 h ARG 23 Cb 0.90 -0.01 -0.14 0.00 -1.65 0.00 0.00 29.97 29.08 2da1 h ARG 23 CO 0.06 0.01 -0.29 1.96 0.56 0.00 0.00 179.97 182.28 2da1 h GLN 24 N 0.02 -0.05 0.00 0.04 1.08 -1.31 1.28 115.11 116.17 2da1 h GLN 24 Ca 0.12 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.32 2da1 h GLN 24 Cb 0.18 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.62 2da1 h GLN 24 CO -0.24 -0.03 -0.00 1.88 -0.95 0.00 0.00 178.83 179.48 2da1 h TYR 25 N -0.05 0.00 -0.39 2.96 0.05 -1.51 -2.54 116.97 115.49 2da1 h TYR 25 Ca 0.33 0.00 0.07 0.00 0.05 0.00 0.00 58.73 59.18 2da1 h TYR 25 Cb 0.58 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 38.26 2da1 h TYR 25 CO -0.70 0.00 -0.02 0.35 -1.05 0.00 0.00 178.16 176.74 2da1 h PHE 26 N 0.00 -0.07 0.90 4.88 3.57 0.19 0.22 116.94 126.63 2da1 h PHE 26 Ca -0.00 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 2da1 h PHE 26 Cb 0.01 0.09 0.01 0.00 2.79 0.00 0.00 35.95 38.85 2da1 h PHE 26 CO 0.00 -0.10 -0.43 0.22 -2.23 0.00 0.00 178.31 175.77 2da1 h ASP 27 N 0.08 -1.02 -0.54 0.41 1.82 -1.42 -3.09 116.42 112.66 2da1 h ASP 27 Ca 0.19 0.04 0.11 0.00 -0.39 0.00 0.00 57.03 56.97 2da1 h ASP 27 Cb 0.28 0.26 -0.10 0.00 0.68 0.00 0.00 39.33 40.45 2da1 h ASP 27 CO -0.34 -0.68 -0.16 0.40 -1.61 0.00 0.00 179.24 176.85 2da1 h ILE 28 N -1.31 0.42 -3.11 2.25 5.03 -1.55 -3.41 117.51 115.84 2da1 h ILE 28 Ca -0.12 0.00 -0.23 0.00 -0.12 0.00 0.00 64.86 64.38 2da1 h ILE 28 Cb 0.93 0.42 -0.32 0.00 -3.03 0.00 0.00 36.82 34.82 2da1 h ILE 28 CO 0.20 0.00 -0.56 0.54 -0.68 0.00 0.00 178.15 177.65 2da1 s ASN 29 N -5.21 0.02 0.00 1.72 2.20 0.76 -5.07 114.94 109.36 2da1 s ASN 29 Ca -0.14 0.41 0.00 0.00 -0.94 0.00 0.00 52.86 52.19 2da1 s ASN 29 Cb 0.17 0.33 0.00 0.00 -2.00 0.00 0.00 41.25 39.75 2da1 s ASN 29 CO 0.72 -0.18 0.98 0.59 -2.94 0.00 0.00 177.10 176.27 2da1 n ASN 30 N 4.51 0.00 -4.69 3.54 5.03 -1.17 -3.86 115.26 118.62 2da1 n ASN 30 Ca -0.21 0.98 -0.34 0.00 0.87 0.00 0.00 54.58 55.89 2da1 n ASN 30 Cb 0.52 -0.48 -0.09 0.00 -1.02 0.00 0.00 39.78 38.71 2da1 n ASN 30 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 2da1 s SER 31 N -2.98 5.23 0.67 6.41 0.15 -1.26 -4.61 113.70 117.30 2da1 s SER 31 Ca 0.00 0.07 -0.15 0.00 0.70 0.00 0.00 55.95 56.58 2da1 s SER 31 Cb 0.00 -1.43 0.00 0.00 -1.71 0.00 0.00 66.02 62.89 2da1 s SER 31 CO 0.00 0.32 1.11 -2.16 1.20 0.00 0.00 173.24 173.71 2da1 s PRO 32 N -1.29 2.77 0.12 5.44 0.04 -1.26 -5.05 135.00 135.77 2da1 s PRO 32 Ca 0.17 1.37 0.01 0.00 0.04 0.00 0.00 61.00 62.60 2da1 s PRO 32 Cb -0.11 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 2da1 s PRO 32 CO 0.07 -1.27 0.27 -1.54 0.04 0.00 0.00 177.00 174.57 2da1 s SER 33 N -2.64 6.36 0.60 6.66 1.04 -1.26 -4.81 113.70 119.64 2da1 s SER 33 Ca 0.67 0.24 0.30 0.00 0.48 0.00 0.00 55.95 57.63 2da1 s SER 33 Cb -0.20 -1.94 1.12 0.00 0.10 0.00 0.00 66.02 65.09 2da1 s SER 33 CO 0.42 0.09 1.45 -0.33 0.98 0.00 0.00 173.24 175.85 2da1 h GLU 34 N 2.49 0.00 0.22 4.02 4.39 -1.98 1.53 114.58 125.25 2da1 h GLU 34 Ca -0.47 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 58.90 2da1 h GLU 34 Cb 1.18 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.86 2da1 h GLU 34 CO 0.71 0.00 -1.51 0.93 -1.16 0.00 0.00 179.01 177.98 2da1 h GLU 35 N 0.00 0.46 -0.01 2.33 5.08 -2.00 -3.30 114.58 117.14 2da1 h GLU 35 Ca 0.48 -0.79 -0.08 0.00 -1.00 0.00 0.00 59.36 57.97 2da1 h GLU 35 Cb 2.67 0.29 0.01 0.00 0.50 0.00 0.00 28.75 32.22 2da1 h GLU 35 CO -0.01 1.37 -0.32 1.96 -1.00 0.00 0.00 179.01 181.01 2da1 h GLN 36 N 0.13 0.23 -0.70 2.33 4.20 0.16 -2.57 115.11 118.88 2da1 h GLN 36 Ca -0.26 -0.24 0.20 0.00 0.06 0.00 0.00 58.65 58.42 2da1 h GLN 36 Cb 2.13 0.07 -0.03 0.00 0.30 0.00 0.00 27.48 29.94 2da1 h GLN 36 CO 0.24 0.95 0.65 0.82 -0.67 0.00 0.00 178.83 180.83 2da1 h ILE 37 N -0.40 0.36 0.00 2.54 2.04 -0.76 0.76 117.51 122.05 2da1 h ILE 37 Ca -0.04 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.67 2da1 h ILE 37 Cb 1.06 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 2da1 h ILE 37 CO 0.06 0.00 -0.83 0.50 0.00 0.00 0.00 178.15 177.89 2da1 h LYS 38 N 0.00 0.00 -0.61 2.37 1.63 -1.62 -2.81 116.57 115.52 2da1 h LYS 38 Ca 0.33 0.00 0.13 0.00 -0.85 0.00 0.00 60.65 60.27 2da1 h LYS 38 Cb 1.63 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 33.23 2da1 h LYS 38 CO -0.00 0.99 0.42 1.05 -3.45 0.00 0.00 179.45 178.46 2da1 h GLU 39 N -1.00 0.26 0.08 1.90 4.11 -0.79 -2.10 114.58 117.03 2da1 h GLU 39 Ca -0.23 -0.02 -0.11 0.00 0.07 0.00 0.00 59.36 59.08 2da1 h GLU 39 Cb 1.19 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 30.40 2da1 h GLU 39 CO -0.14 0.17 -0.48 0.52 0.07 0.00 0.00 179.01 179.15 2da1 h MET 40 N 0.26 0.18 -1.25 1.06 2.86 -1.05 -2.79 114.93 114.21 2da1 h MET 40 Ca 0.29 -0.31 0.36 0.00 -2.06 0.00 0.00 59.70 57.99 2da1 h MET 40 Cb 0.79 0.11 -0.05 0.00 0.06 0.00 0.00 31.60 32.51 2da1 h MET 40 CO -0.06 1.14 0.95 0.00 1.06 0.00 0.00 176.91 180.00 2da1 h ALA 41 N 0.06 3.16 0.13 6.32 0.00 -1.11 0.34 119.26 128.17 2da1 h ALA 41 Ca -0.08 -0.04 -0.36 0.00 0.00 0.00 0.00 54.91 54.42 2da1 h ALA 41 Cb 1.37 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 2da1 h ALA 41 CO 0.09 -1.60 -1.96 0.22 0.00 0.00 0.00 179.25 176.01 2da1 h ASP 42 N 0.00 0.44 -0.38 0.00 1.82 -1.56 -0.13 116.42 116.60 2da1 h ASP 42 Ca 0.59 -0.94 -0.01 0.00 -0.39 0.00 0.00 57.03 56.29 2da1 h ASP 42 Cb 2.49 -0.14 -0.02 0.00 0.68 0.00 0.00 39.33 42.34 2da1 h ASP 42 CO -0.01 1.83 0.21 0.11 -1.61 0.00 0.00 179.24 179.78 2da1 h LYS 43 N 0.08 0.53 0.09 0.28 1.57 -0.20 -3.28 116.57 115.64 2da1 h LYS 43 Ca -0.41 -0.06 -0.36 0.00 -1.87 0.00 0.00 60.65 57.95 2da1 h LYS 43 Cb 2.04 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 34.22 2da1 h LYS 43 CO 0.10 0.43 -2.03 -1.13 -0.57 0.00 0.00 179.45 176.26 2da1 n SER 44 N -4.75 2.07 0.00 0.86 3.41 0.60 -5.01 113.62 110.80 2da1 n SER 44 Ca -0.00 0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 2da1 n SER 44 Cb 0.08 -0.79 0.00 0.00 -0.26 0.00 0.00 64.21 63.23 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 1.96 0.82 3.83 5.00 0.00 -0.09 -5.00 105.19 111.71 2da1 n GLY 45 Ca -0.35 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.34 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 4.00 0.91 0.99 1.43 -1.05 -4.90 118.68 120.05 2da1 s LEU 46 Ca 0.00 1.58 -0.12 0.00 -1.03 0.00 0.00 54.13 54.57 2da1 s LEU 46 Cb 0.00 -4.38 0.14 0.00 0.03 0.00 0.00 46.19 41.98 2da1 s LEU 46 CO 0.00 -0.30 1.09 -2.16 0.23 0.00 0.00 176.35 175.21 2da1 s PRO 47 N -3.06 1.16 0.44 1.29 0.04 -1.26 -4.09 135.00 129.51 2da1 s PRO 47 Ca 0.59 0.78 0.16 0.00 0.04 0.00 0.00 61.00 62.58 2da1 s PRO 47 Cb -0.10 -1.80 1.00 0.00 0.04 0.00 0.00 34.50 33.64 2da1 s PRO 47 CO 0.15 -2.30 1.96 1.96 0.04 0.00 0.00 177.00 178.80 2da1 h GLN 48 N -1.59 0.00 -0.08 4.56 4.20 -1.95 -2.50 115.11 117.75 2da1 h GLN 48 Ca -0.50 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.17 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 0.55 0.23 -0.10 1.57 -0.67 0.00 0.00 178.83 180.41 2da1 h LYS 49 N 0.00 0.20 0.27 1.46 2.10 -1.95 -2.28 116.57 116.38 2da1 h LYS 49 Ca -0.00 -0.12 -0.01 0.00 -2.00 0.00 0.00 60.65 58.53 2da1 h LYS 49 Cb 0.43 0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.76 2da1 h LYS 49 CO 0.03 0.66 -0.19 0.28 -2.00 0.00 0.00 179.45 178.23 2da1 h VAL 50 N -0.24 0.60 -0.29 0.07 2.07 -1.88 0.08 116.25 116.66 2da1 h VAL 50 Ca 0.01 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.59 2da1 h VAL 50 Cb 0.63 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 30.95 2da1 h VAL 50 CO 0.02 0.00 -0.06 0.40 0.02 0.00 0.00 177.57 177.96 2da1 h ILE 51 N -0.46 0.73 0.03 4.57 2.04 -1.53 0.15 117.51 123.04 2da1 h ILE 51 Ca -0.02 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 65.85 2da1 h ILE 51 Cb 0.39 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 2da1 h ILE 51 CO 0.01 0.00 -0.11 0.11 0.00 0.00 0.00 178.15 178.16 2da1 h LYS 52 N 0.02 -0.20 -0.48 2.37 1.57 -1.24 -1.85 116.57 116.76 2da1 h LYS 52 Ca 0.14 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.97 2da1 h LYS 52 Cb 0.21 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.52 2da1 h LYS 52 CO -0.28 -0.13 0.24 0.45 -0.57 0.00 0.00 179.45 179.15 2da1 h HIS 53 N -0.21 0.44 -0.26 -1.35 3.86 -0.58 -1.74 115.15 115.32 2da1 h HIS 53 Ca 0.03 0.02 0.06 0.00 -1.16 0.00 0.00 60.37 59.32 2da1 h HIS 53 Cb 0.24 -0.13 -0.06 0.00 1.06 0.00 0.00 27.41 28.52 2da1 h HIS 53 CO -0.16 0.22 -0.13 2.35 0.86 0.00 0.00 177.93 181.07 2da1 h TRP 54 N 0.47 -0.31 -0.94 2.45 7.01 -0.38 0.24 115.95 124.49 2da1 h TRP 54 Ca 0.21 0.03 0.03 0.00 2.11 0.00 0.00 58.89 61.27 2da1 h TRP 54 Cb 0.12 0.18 -0.05 0.00 -2.10 0.00 0.00 29.16 27.31 2da1 h TRP 54 CO -0.10 -0.20 0.62 0.74 -2.79 0.00 0.00 178.44 176.71 2da1 h PHE 55 N -0.10 1.15 0.61 2.65 0.04 -0.97 0.56 116.94 120.88 2da1 h PHE 55 Ca 0.14 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.91 2da1 h PHE 55 Cb 0.31 -0.39 0.01 0.00 2.20 0.00 0.00 35.95 38.08 2da1 h PHE 55 CO -0.31 0.68 -0.29 -0.09 -0.60 0.00 0.00 178.31 177.69 2da1 h ARG 56 N 1.20 -0.79 -0.60 1.51 2.43 -0.35 0.15 114.38 117.92 2da1 h ARG 56 Ca 0.37 0.05 0.11 0.00 -0.81 0.00 0.00 59.98 59.70 2da1 h ARG 56 Cb -0.03 0.18 -0.08 0.00 -0.42 0.00 0.00 29.97 29.62 2da1 h ARG 56 CO -0.10 -0.53 0.15 -0.91 -1.51 0.00 0.00 179.97 177.07 2da1 h ASN 57 N -1.16 0.06 0.34 -3.80 2.35 -0.49 0.48 115.58 113.37 2da1 h ASN 57 Ca -0.08 0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.75 2da1 h ASN 57 Cb 0.63 0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.14 2da1 h ASN 57 CO 0.14 0.04 -0.17 0.74 -1.65 0.00 0.00 177.43 176.53 2da1 h THR 58 N 0.29 0.00 -0.13 2.81 2.02 -0.93 -0.00 112.91 116.97 2da1 h THR 58 Ca 0.32 -0.12 0.04 0.00 0.77 0.00 0.00 66.41 67.41 2da1 h THR 58 Cb 0.45 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.80 2da1 h THR 58 CO -0.38 0.00 -0.45 0.25 0.37 0.00 0.00 175.52 175.31 2da1 h LEU 59 N -0.59 -1.40 -1.28 2.58 5.85 -0.58 0.23 115.31 120.13 2da1 h LEU 59 Ca -0.05 0.18 0.14 0.00 0.84 0.00 0.00 57.88 58.99 2da1 h LEU 59 Cb 0.35 0.57 -0.07 0.00 0.37 0.00 0.00 40.66 41.88 2da1 h LEU 59 CO 0.08 -0.44 0.57 0.15 -0.34 0.00 0.00 178.44 178.46 2da1 h PHE 60 N -0.51 0.83 0.00 1.25 3.04 -0.13 0.25 116.94 121.67 2da1 h PHE 60 Ca 0.07 0.02 -0.07 0.00 3.98 0.00 0.00 57.97 61.97 2da1 h PHE 60 Cb 0.64 -0.26 -0.01 0.00 2.56 0.00 0.00 35.95 38.88 2da1 h PHE 60 CO -0.51 0.32 -0.33 -0.22 -2.02 0.00 0.00 178.31 175.54 2da1 h LYS 61 N 0.71 0.00 0.00 1.11 3.64 0.84 -1.09 116.57 121.78 2da1 h LYS 61 Ca 0.44 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.63 2da1 h LYS 61 Cb 0.68 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.48 2da1 h LYS 61 CO -0.20 0.33 -1.02 0.93 -2.27 0.00 0.00 179.45 177.22 2da1 h GLU 62 N 0.00 0.00 0.23 1.90 5.08 0.26 -2.43 114.58 119.62 2da1 h GLU 62 Ca -0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.02 2da1 h GLU 62 Cb 0.81 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.09 2da1 h GLU 62 CO 0.04 0.72 -1.52 0.00 -1.00 0.00 0.00 179.01 177.26 2da1 h ARG 63 N 0.00 0.49 -0.13 2.33 2.47 -0.84 -3.35 114.38 115.35 2da1 h ARG 63 Ca -0.07 -0.84 -0.13 0.00 -1.26 0.00 0.00 59.98 57.68 2da1 h ARG 63 Cb 1.69 0.31 0.00 0.00 -1.65 0.00 0.00 29.97 30.33 2da1 h ARG 63 CO 0.10 1.40 -0.42 -0.56 0.56 0.00 0.00 179.97 181.05 2da1 h GLN 64 N 0.10 0.52 -6.26 0.04 -0.00 -1.32 -3.43 115.11 104.76 2da1 h GLN 64 Ca -0.28 -0.38 -0.56 0.00 -0.00 0.00 0.00 58.65 57.43 2da1 h GLN 64 Cb 2.12 0.07 -0.02 0.00 -0.00 0.00 0.00 27.48 29.64 2da1 h GLN 64 CO 0.24 1.00 1.09 -1.54 -0.00 0.00 0.00 178.83 179.62 2da1 s SER 65 N -6.58 6.53 0.00 0.06 1.04 -0.92 -4.95 113.70 108.89 2da1 s SER 65 Ca -0.13 1.81 0.00 0.00 0.48 0.00 0.00 55.95 58.11 2da1 s SER 65 Cb 0.06 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.65 2da1 s SER 65 CO 0.82 -1.10 0.00 0.61 0.98 0.00 0.00 173.24 174.54 2da1 n GLY 66 N 4.38 5.07 0.00 7.32 0.00 -1.26 -4.84 105.19 115.86 2da1 n GLY 66 Ca 0.18 -1.32 0.06 0.00 0.00 0.00 0.00 46.02 44.93 2da1 n GLY 66 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2da1 n PRO 67 N 0.00 0.49 -4.22 1.61 -0.04 -1.26 -4.72 135.00 126.86 2da1 n PRO 67 Ca 0.00 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.20 2da1 n PRO 67 Cb 0.00 -1.36 -0.08 0.00 -0.04 0.00 0.00 33.50 32.02 2da1 n PRO 67 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2da1 s SER 68 N -1.86 4.67 0.10 3.54 0.15 -1.26 -5.14 113.70 113.90 2da1 s SER 68 Ca 0.17 -0.44 0.10 0.00 0.70 0.00 0.00 55.95 56.48 2da1 s SER 68 Cb 0.08 -0.95 -0.04 0.00 -1.71 0.00 0.00 66.02 63.40 2da1 s SER 68 CO 0.13 0.09 -0.25 -0.94 1.20 0.00 0.00 173.24 173.47 2da1 s SER 69 N -2.94 3.38 0.00 5.45 1.04 -1.26 -5.00 113.70 114.36 2da1 s SER 69 Ca 0.27 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 56.03 2da1 s SER 69 Cb -0.09 -0.30 0.00 0.00 0.10 0.00 0.00 66.02 65.73 2da1 s SER 69 CO 0.18 0.20 0.00 0.61 0.98 0.00 0.00 173.24 175.21