#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2da1 h SER 2 N 0.00 -0.04 -1.37 1.61 0.02 -2.14 -3.41 113.55 108.22 2da1 h SER 2 Ca 0.00 0.24 -0.72 0.00 -0.84 0.00 0.00 61.79 60.47 2da1 h SER 2 Cb 0.00 0.33 0.07 0.00 0.14 0.00 0.00 62.40 62.93 2da1 h SER 2 CO 0.00 -0.28 0.12 -1.54 -1.14 0.00 0.00 176.83 173.99 2da1 n SER 3 N -5.30 0.52 0.00 3.07 3.41 -1.26 -4.78 113.62 109.28 2da1 n SER 3 Ca 0.27 1.14 0.00 0.00 -0.26 0.00 0.00 58.87 60.02 2da1 n SER 3 Cb 0.88 -1.05 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 2da1 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2da1 n GLY 4 N 1.91 -0.77 3.22 5.00 0.00 -1.26 -5.17 105.19 108.12 2da1 n GLY 4 Ca 0.18 0.54 -0.13 0.00 0.00 0.00 0.00 46.02 46.62 2da1 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2da1 s SER 5 N 2.00 1.38 -0.09 1.61 1.04 -1.26 -5.17 113.70 113.21 2da1 s SER 5 Ca 0.00 -1.08 -0.26 0.00 0.48 0.00 0.00 55.95 55.10 2da1 s SER 5 Cb 0.00 0.07 0.06 0.00 0.10 0.00 0.00 66.02 66.25 2da1 s SER 5 CO 0.00 -0.47 0.60 -0.44 0.98 0.00 0.00 173.24 173.91 2da1 s SER 6 N -3.14 -0.57 0.00 7.02 0.01 -1.26 -5.09 113.70 110.67 2da1 s SER 6 Ca 0.18 0.75 0.00 0.00 1.31 0.00 0.00 55.95 58.19 2da1 s SER 6 Cb 0.05 0.70 0.00 0.00 0.21 0.00 0.00 66.02 66.97 2da1 s SER 6 CO 0.00 -0.48 0.00 0.61 0.41 0.00 0.00 173.24 173.79 2da1 n GLY 7 N 1.46 0.30 3.92 3.44 0.00 -1.26 -5.18 105.19 107.88 2da1 n GLY 7 Ca -0.18 -0.24 -0.23 0.00 0.00 0.00 0.00 46.02 45.38 2da1 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2da1 s LYS 8 N 0.00 2.38 0.10 1.61 1.02 -1.26 -5.13 119.74 118.46 2da1 s LYS 8 Ca 0.00 -1.75 0.01 0.00 0.02 0.00 0.00 55.97 54.26 2da1 s LYS 8 Cb 0.00 -2.32 -0.04 0.00 -0.52 0.00 0.00 37.83 34.95 2da1 s LYS 8 CO 0.00 -0.49 0.23 -0.98 -0.92 0.00 0.00 175.35 173.19 2da1 s ARG 9 N -4.30 3.40 0.15 1.68 3.03 -1.26 -5.07 118.95 116.58 2da1 s ARG 9 Ca 0.45 -0.53 -0.31 0.00 2.03 0.00 0.00 55.73 57.38 2da1 s ARG 9 Cb -0.03 -2.99 -0.08 0.00 -1.03 0.00 0.00 34.95 30.82 2da1 s ARG 9 CO 0.27 0.57 1.34 -1.25 -1.13 0.00 0.00 175.30 175.10 2da1 s PRO 10 N -2.82 4.36 -0.12 3.89 0.04 -1.26 -4.97 135.00 134.12 2da1 s PRO 10 Ca 0.34 2.04 -0.08 0.00 0.04 0.00 0.00 61.00 63.35 2da1 s PRO 10 Cb -0.12 -3.23 -0.03 0.00 0.04 0.00 0.00 34.50 31.16 2da1 s PRO 10 CO 0.28 -0.34 -0.16 -2.13 0.04 0.00 0.00 177.00 174.70 2da1 n ARG 11 N 3.32 0.38 -2.66 4.56 0.00 -1.26 -4.83 116.66 116.17 2da1 n ARG 11 Ca 0.09 0.47 -0.43 0.00 -0.00 0.00 0.00 57.85 57.98 2da1 n ARG 11 Cb 0.43 -1.54 -0.02 0.00 0.00 0.00 0.00 32.46 31.33 2da1 n ARG 11 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 2da1 s THR 12 N -2.08 4.33 0.28 5.15 2.01 -1.26 -4.99 115.64 119.08 2da1 s THR 12 Ca -0.13 1.24 -0.30 0.00 0.31 0.00 0.00 61.69 62.81 2da1 s THR 12 Cb 0.02 -4.52 -0.12 0.00 0.01 0.00 0.00 72.50 67.89 2da1 s THR 12 CO 0.19 -0.85 1.63 -1.14 -0.69 0.00 0.00 174.62 173.76 2da1 n ARG 13 N 7.48 2.74 -2.44 4.92 0.63 -1.26 -4.94 116.66 123.79 2da1 n ARG 13 Ca 0.11 0.98 -0.41 0.00 -0.92 0.00 0.00 57.85 57.61 2da1 n ARG 13 Cb 0.48 -2.78 -0.04 0.00 0.45 0.00 0.00 32.46 30.58 2da1 n ARG 13 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2da1 s ILE 14 N 0.22 3.63 0.22 5.15 1.01 -1.26 -5.03 121.20 125.13 2da1 s ILE 14 Ca 0.66 1.45 -0.07 0.00 0.00 0.00 0.00 60.65 62.68 2da1 s ILE 14 Cb -0.49 -3.92 -0.06 0.00 0.01 0.00 0.00 42.46 37.99 2da1 s ILE 14 CO 0.45 0.27 0.51 0.42 0.00 0.00 0.00 174.94 176.59 2da1 s THR 15 N -0.40 5.01 0.38 2.92 -4.23 -1.26 -4.91 115.64 113.15 2da1 s THR 15 Ca 0.50 0.28 0.14 0.00 -1.18 0.00 0.00 61.69 61.42 2da1 s THR 15 Cb -0.32 -3.64 0.36 0.00 1.34 0.00 0.00 72.50 70.24 2da1 s THR 15 CO 0.37 -0.10 1.83 0.44 -0.54 0.00 0.00 174.62 176.62 2da1 h ASP 16 N 2.42 0.53 0.55 3.99 3.32 -1.99 0.58 116.42 125.82 2da1 h ASP 16 Ca -0.47 0.06 -0.05 0.00 0.02 0.00 0.00 57.03 56.59 2da1 h ASP 16 Cb 1.17 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 2da1 h ASP 16 CO 0.69 0.20 -0.25 0.44 -1.72 0.00 0.00 179.24 178.60 2da1 h ASP 17 N 0.53 0.00 0.25 6.45 3.32 -2.01 -2.15 116.42 122.81 2da1 h ASP 17 Ca 0.51 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 57.22 2da1 h ASP 17 Cb 1.10 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 2da1 h ASP 17 CO -0.24 0.25 -1.81 1.56 -1.72 0.00 0.00 179.24 177.28 2da1 h GLN 18 N 0.00 0.27 0.47 3.56 4.20 -0.39 -3.37 115.11 119.86 2da1 h GLN 18 Ca -0.00 -0.47 -0.02 0.00 0.06 0.00 0.00 58.65 58.22 2da1 h GLN 18 Cb 0.59 0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.55 2da1 h GLN 18 CO 0.03 1.15 -0.23 1.25 -0.67 0.00 0.00 178.83 180.36 2da1 h LEU 19 N 0.07 -0.54 -0.98 1.46 5.85 -0.56 -2.85 115.31 117.77 2da1 h LEU 19 Ca -0.35 -0.04 0.41 0.00 0.84 0.00 0.00 57.88 58.73 2da1 h LEU 19 Cb 2.05 0.14 -0.18 0.00 0.37 0.00 0.00 40.66 43.04 2da1 h LEU 19 CO 0.13 -0.29 0.52 -2.11 -0.34 0.00 0.00 178.44 176.35 2da1 n ARG 20 N -5.31 -0.06 -0.27 1.25 1.85 -0.82 0.19 116.66 113.49 2da1 n ARG 20 Ca -0.11 1.35 -0.06 0.00 -1.00 0.00 0.00 57.85 58.03 2da1 n ARG 20 Cb 0.29 -2.42 0.06 0.00 -1.05 0.00 0.00 32.46 29.34 2da1 n ARG 20 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2da1 h VAL 21 N 0.00 1.25 -0.08 8.89 2.07 -1.67 0.58 116.25 127.29 2da1 h VAL 21 Ca 0.83 -0.75 -0.19 0.00 0.82 0.00 0.00 66.70 67.41 2da1 h VAL 21 Cb 2.19 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 32.29 2da1 h VAL 21 CO -0.75 0.31 -0.73 -0.07 0.02 0.00 0.00 177.57 176.35 2da1 h LEU 22 N 1.08 0.51 -0.24 2.57 3.38 0.21 -3.14 115.31 119.68 2da1 h LEU 22 Ca 0.25 -0.33 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 2da1 h LEU 22 Cb 0.18 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2da1 h LEU 22 CO -0.03 1.07 -0.16 0.03 0.09 0.00 0.00 178.44 179.45 2da1 h ARG 23 N 0.29 0.54 -0.62 1.13 2.47 -0.61 -2.79 114.38 114.79 2da1 h ARG 23 Ca -0.03 -0.25 0.10 0.00 -1.26 0.00 0.00 59.98 58.54 2da1 h ARG 23 Cb 1.30 -0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 29.54 2da1 h ARG 23 CO 0.13 0.82 0.21 1.96 0.56 0.00 0.00 179.97 183.65 2da1 h GLN 24 N 0.25 0.36 -0.19 0.04 1.08 -0.92 -0.02 115.11 115.71 2da1 h GLN 24 Ca 0.05 -0.02 -0.05 0.00 -1.45 0.00 0.00 58.65 57.17 2da1 h GLN 24 Cb 0.69 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.02 2da1 h GLN 24 CO 0.04 0.24 -0.12 1.88 -0.95 0.00 0.00 178.83 179.92 2da1 h TYR 25 N 0.37 0.32 -0.54 2.96 -1.99 -1.52 -2.97 116.97 113.61 2da1 h TYR 25 Ca 0.32 -0.04 0.11 0.00 2.00 0.00 0.00 58.73 61.12 2da1 h TYR 25 Cb 0.43 -0.09 -0.10 0.00 2.00 0.00 0.00 36.73 38.96 2da1 h TYR 25 CO -0.19 0.42 -0.13 0.35 -0.00 0.00 0.00 178.16 178.61 2da1 h PHE 26 N 0.29 -0.28 0.68 4.88 3.57 -0.71 0.15 116.94 125.51 2da1 h PHE 26 Ca 0.06 0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 2da1 h PHE 26 Cb 0.39 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 2da1 h PHE 26 CO 0.01 -0.23 -0.43 -0.44 -2.23 0.00 0.00 178.31 174.99 2da1 h ASP 27 N 0.00 -1.08 -0.35 0.41 3.32 -1.48 -3.09 116.42 114.14 2da1 h ASP 27 Ca 0.26 0.06 0.07 0.00 0.02 0.00 0.00 57.03 57.44 2da1 h ASP 27 Cb 0.39 0.32 -0.09 0.00 0.22 0.00 0.00 39.33 40.18 2da1 h ASP 27 CO -0.55 -0.66 -0.41 0.40 -1.72 0.00 0.00 179.24 176.30 2da1 h ILE 28 N -1.04 0.14 -3.33 0.35 5.03 -1.47 -3.41 117.51 113.78 2da1 h ILE 28 Ca -0.09 0.00 -0.26 0.00 -0.12 0.00 0.00 64.86 64.39 2da1 h ILE 28 Cb 0.85 0.14 -0.33 0.00 -3.03 0.00 0.00 36.82 34.45 2da1 h ILE 28 CO 0.08 0.00 -0.64 0.54 -0.68 0.00 0.00 178.15 177.45 2da1 s ASN 29 N -5.03 -0.03 0.00 1.72 2.20 -0.01 -5.07 114.94 108.72 2da1 s ASN 29 Ca -0.15 0.22 0.00 0.00 -0.94 0.00 0.00 52.86 51.99 2da1 s ASN 29 Cb 0.12 0.11 0.00 0.00 -2.00 0.00 0.00 41.25 39.48 2da1 s ASN 29 CO 0.66 -0.15 0.71 0.59 -2.94 0.00 0.00 177.10 175.97 2da1 n ASN 30 N 4.23 0.00 -4.43 3.54 5.03 -1.19 -4.07 115.26 118.37 2da1 n ASN 30 Ca -0.26 0.71 -0.31 0.00 0.87 0.00 0.00 54.58 55.58 2da1 n ASN 30 Cb 0.51 -0.35 -0.13 0.00 -1.02 0.00 0.00 39.78 38.79 2da1 n ASN 30 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 2da1 s SER 31 N -2.99 3.66 0.89 6.41 0.01 -1.26 -4.61 113.70 115.81 2da1 s SER 31 Ca 0.00 -0.42 -0.11 0.00 1.31 0.00 0.00 55.95 56.72 2da1 s SER 31 Cb 0.00 -0.57 0.13 0.00 0.21 0.00 0.00 66.02 65.79 2da1 s SER 31 CO 0.00 0.28 1.09 -2.16 0.41 0.00 0.00 173.24 172.86 2da1 s PRO 32 N -1.22 1.30 0.16 12.44 0.04 -1.26 -5.07 135.00 141.40 2da1 s PRO 32 Ca 0.13 0.83 0.07 0.00 0.04 0.00 0.00 61.00 62.08 2da1 s PRO 32 Cb -0.10 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.58 2da1 s PRO 32 CO 0.03 -2.21 -0.00 -1.54 0.04 0.00 0.00 177.00 173.32 2da1 s SER 33 N -3.42 4.79 0.39 6.66 1.04 -1.26 -4.83 113.70 117.07 2da1 s SER 33 Ca 0.63 -0.37 0.34 0.00 0.48 0.00 0.00 55.95 57.03 2da1 s SER 33 Cb -0.18 -1.03 1.26 0.00 0.10 0.00 0.00 66.02 66.17 2da1 s SER 33 CO 0.57 0.10 1.19 -0.62 0.98 0.00 0.00 173.24 175.46 2da1 n GLU 34 N -0.02 -0.01 -0.04 4.02 -0.58 -1.26 0.20 120.64 122.95 2da1 n GLU 34 Ca -0.10 0.87 -0.14 0.00 -0.42 0.00 0.00 57.16 57.37 2da1 n GLU 34 Cb 0.55 -1.90 -0.12 0.00 -0.57 0.00 0.00 31.44 29.40 2da1 n GLU 34 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 2da1 h GLU 35 N 0.00 0.05 -0.27 3.49 5.08 -2.00 -3.13 114.58 117.80 2da1 h GLU 35 Ca 0.70 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.97 2da1 h GLU 35 Cb 2.65 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 31.90 2da1 h GLU 35 CO -0.12 0.84 0.02 1.96 -1.00 0.00 0.00 179.01 180.70 2da1 h GLN 36 N -0.73 0.46 -0.25 2.33 1.08 0.19 -1.76 115.11 116.42 2da1 h GLN 36 Ca -0.01 -0.14 0.07 0.00 -1.45 0.00 0.00 58.65 57.13 2da1 h GLN 36 Cb 0.87 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.24 2da1 h GLN 36 CO 0.01 0.61 0.29 0.82 -0.95 0.00 0.00 178.83 179.61 2da1 h ILE 37 N 0.25 0.40 0.00 2.54 2.04 -0.68 -0.42 117.51 121.64 2da1 h ILE 37 Ca 0.08 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.87 2da1 h ILE 37 Cb 0.39 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 2da1 h ILE 37 CO 0.01 0.00 -0.46 0.50 0.00 0.00 0.00 178.15 178.20 2da1 h LYS 38 N 0.00 0.00 -0.92 2.37 1.63 -1.40 -2.50 116.57 115.74 2da1 h LYS 38 Ca 0.12 0.00 0.15 0.00 -0.85 0.00 0.00 60.65 60.06 2da1 h LYS 38 Cb 0.70 0.00 -0.08 0.00 -0.60 0.00 0.00 32.23 32.25 2da1 h LYS 38 CO -0.00 0.68 0.59 1.05 -3.45 0.00 0.00 179.45 178.32 2da1 h GLU 39 N -1.00 0.72 -0.00 1.90 4.11 -0.79 -2.28 114.58 117.24 2da1 h GLU 39 Ca -0.11 -0.04 -0.02 0.00 0.07 0.00 0.00 59.36 59.25 2da1 h GLU 39 Cb 0.85 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2da1 h GLU 39 CO -0.07 0.48 -0.10 0.52 0.07 0.00 0.00 179.01 179.92 2da1 h MET 40 N 0.74 0.07 -1.10 1.06 2.86 -1.24 -2.51 114.93 114.81 2da1 h MET 40 Ca 0.47 -0.07 0.32 0.00 -2.06 0.00 0.00 59.70 58.36 2da1 h MET 40 Cb 0.71 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.35 2da1 h MET 40 CO -0.23 0.84 1.08 0.00 1.06 0.00 0.00 176.91 179.65 2da1 h ALA 41 N 0.23 2.99 0.04 6.32 0.00 -0.94 0.84 119.26 128.74 2da1 h ALA 41 Ca -0.01 -0.04 -0.36 0.00 0.00 0.00 0.00 54.91 54.50 2da1 h ALA 41 Cb 0.87 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 2da1 h ALA 41 CO 0.02 -1.64 -2.16 -3.47 0.00 0.00 0.00 179.25 171.99 2da1 n ASP 42 N -3.54 1.48 -0.25 0.00 2.03 -1.08 -1.68 116.55 113.50 2da1 n ASP 42 Ca 0.24 0.10 -0.07 0.00 0.52 0.00 0.00 54.79 55.58 2da1 n ASP 42 Cb 1.42 -0.25 0.04 0.00 -0.72 0.00 0.00 41.12 41.61 2da1 n ASP 42 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2da1 h LYS 43 N 0.02 1.11 0.04 -0.67 1.57 0.98 -3.27 116.57 116.36 2da1 h LYS 43 Ca -0.47 -0.26 -0.37 0.00 -1.87 0.00 0.00 60.65 57.68 2da1 h LYS 43 Cb 2.03 -0.15 -0.05 0.00 0.08 0.00 0.00 32.23 34.14 2da1 h LYS 43 CO 0.02 0.98 -2.24 -1.13 -0.57 0.00 0.00 179.45 176.51 2da1 n SER 44 N -4.26 1.69 0.00 0.86 3.41 0.63 -5.01 113.62 110.94 2da1 n SER 44 Ca 0.05 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 2da1 n SER 44 Cb 0.25 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 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 2.05 0.84 3.88 5.00 0.00 -0.68 -4.97 105.19 111.32 2da1 n GLY 45 Ca -0.37 0.00 -0.31 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 4.14 1.22 0.99 1.43 -0.99 -4.93 118.68 120.54 2da1 s LEU 46 Ca 0.00 0.86 -0.20 0.00 -1.03 0.00 0.00 54.13 53.76 2da1 s LEU 46 Cb 0.00 -3.63 0.29 0.00 0.03 0.00 0.00 46.19 42.88 2da1 s LEU 46 CO 0.00 -0.10 1.11 -2.16 0.23 0.00 0.00 176.35 175.43 2da1 s PRO 47 N -3.00 -1.36 0.26 1.29 0.04 -1.26 -4.15 135.00 126.82 2da1 s PRO 47 Ca 0.46 -0.11 0.14 0.00 0.04 0.00 0.00 61.00 61.53 2da1 s PRO 47 Cb -0.11 -1.58 0.04 0.00 0.04 0.00 0.00 34.50 32.88 2da1 s PRO 47 CO 0.24 -3.79 1.43 1.96 0.04 0.00 0.00 177.00 176.87 2da1 h GLN 48 N -2.64 0.00 0.00 4.56 4.20 -1.95 -2.94 115.11 116.34 2da1 h GLN 48 Ca -0.44 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.07 2da1 h GLN 48 Cb 1.29 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.06 2da1 h GLN 48 CO 0.32 0.56 -0.87 1.57 -0.67 0.00 0.00 178.83 179.74 2da1 h LYS 49 N 0.00 0.21 -0.03 1.46 2.10 -1.97 -1.97 116.57 116.37 2da1 h LYS 49 Ca -0.01 -0.22 -0.09 0.00 -2.00 0.00 0.00 60.65 58.34 2da1 h LYS 49 Cb 1.43 0.06 0.01 0.00 -0.90 0.00 0.00 32.23 32.83 2da1 h LYS 49 CO 0.07 0.95 -0.31 0.28 -2.00 0.00 0.00 179.45 178.44 2da1 h VAL 50 N 0.12 1.48 0.24 0.07 2.07 -1.93 -2.67 116.25 115.62 2da1 h VAL 50 Ca -0.04 -1.85 -0.01 0.00 0.82 0.00 0.00 66.70 65.62 2da1 h VAL 50 Cb 1.49 2.55 0.00 0.00 -1.52 0.00 0.00 31.29 33.81 2da1 h VAL 50 CO 0.13 0.52 -0.12 0.40 0.02 0.00 0.00 177.57 178.53 2da1 h ILE 51 N -0.31 0.82 -0.21 4.57 2.04 -1.60 -1.55 117.51 121.28 2da1 h ILE 51 Ca -0.03 -0.54 0.06 0.00 1.00 0.00 0.00 64.86 65.35 2da1 h ILE 51 Cb 1.01 1.13 -0.07 0.00 -0.74 0.00 0.00 36.82 38.16 2da1 h ILE 51 CO 0.06 0.12 -0.24 0.11 0.00 0.00 0.00 178.15 178.20 2da1 h LYS 52 N -0.60 -0.26 0.05 2.37 1.57 -1.49 -1.70 116.57 116.52 2da1 h LYS 52 Ca -0.03 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.79 2da1 h LYS 52 Cb 0.44 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 2da1 h LYS 52 CO 0.05 -0.17 -0.20 1.25 -0.57 0.00 0.00 179.45 179.82 2da1 h HIS 53 N -0.27 -0.52 -0.68 -1.35 2.76 -1.50 -1.85 115.15 111.75 2da1 h HIS 53 Ca 0.13 0.01 0.14 0.00 -2.20 0.00 0.00 60.37 58.45 2da1 h HIS 53 Cb 0.46 0.22 -0.13 0.00 1.55 0.00 0.00 27.41 29.51 2da1 h HIS 53 CO -0.38 -0.28 -0.18 2.35 -1.30 0.00 0.00 177.93 178.14 2da1 h TRP 54 N -0.34 -0.39 -0.77 5.26 7.01 -0.80 0.42 115.95 126.34 2da1 h TRP 54 Ca 0.04 0.06 0.01 0.00 2.11 0.00 0.00 58.89 61.11 2da1 h TRP 54 Cb 0.39 0.28 -0.04 0.00 -2.10 0.00 0.00 29.16 27.70 2da1 h TRP 54 CO -0.22 -0.30 0.51 0.74 -2.79 0.00 0.00 178.44 176.38 2da1 h PHE 55 N -0.01 0.97 0.39 2.65 0.04 -0.90 -1.06 116.94 119.03 2da1 h PHE 55 Ca 0.33 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 61.10 2da1 h PHE 55 Cb 0.51 -0.33 0.00 0.00 2.20 0.00 0.00 35.95 38.33 2da1 h PHE 55 CO -0.56 0.61 -0.19 -0.09 -0.60 0.00 0.00 178.31 177.49 2da1 h ARG 56 N 1.05 -0.51 -0.75 1.51 2.43 0.46 0.20 114.38 118.77 2da1 h ARG 56 Ca 0.28 0.03 0.17 0.00 -0.81 0.00 0.00 59.98 59.66 2da1 h ARG 56 Cb -0.12 0.12 -0.13 0.00 -0.42 0.00 0.00 29.97 29.42 2da1 h ARG 56 CO -0.06 -0.34 0.05 -0.97 -1.51 0.00 0.00 179.97 177.14 2da1 h ASN 57 N -0.90 -0.26 0.46 -3.80 -0.73 -0.39 0.33 115.58 110.28 2da1 h ASN 57 Ca -0.05 0.18 -0.02 0.00 1.87 0.00 0.00 56.30 58.28 2da1 h ASN 57 Cb 0.41 0.31 0.00 0.00 0.27 0.00 0.00 38.32 39.31 2da1 h ASN 57 CO 0.09 -0.15 -0.22 0.74 -0.37 0.00 0.00 177.43 177.52 2da1 h THR 58 N 0.14 0.00 -0.13 -3.57 2.02 -1.26 -2.77 112.91 107.33 2da1 h THR 58 Ca 0.41 -0.38 0.02 0.00 0.77 0.00 0.00 66.41 67.23 2da1 h THR 58 Cb 0.73 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.11 2da1 h THR 58 CO -0.63 0.00 -0.29 0.25 0.37 0.00 0.00 175.52 175.22 2da1 h LEU 59 N -1.00 -0.93 -1.85 2.58 5.85 -0.22 0.24 115.31 119.97 2da1 h LEU 59 Ca -0.06 0.12 0.40 0.00 0.84 0.00 0.00 57.88 59.17 2da1 h LEU 59 Cb 0.47 0.37 -0.07 0.00 0.37 0.00 0.00 40.66 41.81 2da1 h LEU 59 CO 0.10 -0.23 0.96 0.15 -0.34 0.00 0.00 178.44 179.08 2da1 h PHE 60 N -0.26 0.14 0.01 1.25 3.04 -0.49 1.25 116.94 121.88 2da1 h PHE 60 Ca 0.03 0.01 -0.20 0.00 3.98 0.00 0.00 57.97 61.78 2da1 h PHE 60 Cb 0.34 -0.04 -0.01 0.00 2.56 0.00 0.00 35.95 38.80 2da1 h PHE 60 CO -0.58 -0.02 -0.89 -0.22 -2.02 0.00 0.00 178.31 174.58 2da1 h LYS 61 N 0.06 0.21 0.00 1.11 1.63 -0.35 -2.20 116.57 117.03 2da1 h LYS 61 Ca 0.69 -0.24 0.00 0.00 -0.85 0.00 0.00 60.65 60.25 2da1 h LYS 61 Cb 2.56 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 34.26 2da1 h LYS 61 CO -0.09 0.97 -0.01 0.93 -3.45 0.00 0.00 179.45 177.80 2da1 h GLU 62 N 0.12 0.00 0.04 1.90 4.39 0.39 -2.37 114.58 119.04 2da1 h GLU 62 Ca -0.05 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.35 2da1 h GLU 62 Cb 1.53 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 30.14 2da1 h GLU 62 CO 0.14 0.00 -1.66 0.00 -1.16 0.00 0.00 179.01 176.32 2da1 h ARG 63 N 0.00 0.08 0.04 2.33 3.08 -0.84 -3.36 114.38 115.72 2da1 h ARG 63 Ca 0.00 -0.14 -0.24 0.00 0.07 0.00 0.00 59.98 59.67 2da1 h ARG 63 Cb 0.93 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.01 2da1 h ARG 63 CO 0.00 0.75 -1.17 -0.56 -1.07 0.00 0.00 179.97 177.93 2da1 h GLN 64 N 0.02 0.08 -6.22 0.04 -0.00 -1.43 -3.44 115.11 104.16 2da1 h GLN 64 Ca -0.28 -0.14 -0.56 0.00 -0.00 0.00 0.00 58.65 57.68 2da1 h GLN 64 Cb 1.99 0.05 -0.03 0.00 -0.00 0.00 0.00 27.48 29.50 2da1 h GLN 64 CO 0.10 1.01 0.93 0.45 -0.00 0.00 0.00 178.83 181.32 2da1 s SER 65 N -6.77 6.86 -0.40 0.06 0.15 -0.89 -4.97 113.70 107.75 2da1 s SER 65 Ca -0.01 1.90 0.03 0.00 0.70 0.00 0.00 55.95 58.56 2da1 s SER 65 Cb 0.09 -2.54 0.16 0.00 -1.71 0.00 0.00 66.02 62.02 2da1 s SER 65 CO 0.84 -0.79 0.30 -0.83 1.20 0.00 0.00 173.24 173.96 2da1 s GLY 66 N 2.31 1.13 1.21 9.45 0.00 -1.26 -4.92 107.32 115.24 2da1 s GLY 66 Ca 0.61 -2.29 -0.19 0.00 0.00 0.00 0.00 44.72 42.85 2da1 s GLY 66 CO 0.21 2.08 1.11 2.56 0.00 0.00 0.00 173.10 179.06 2da1 s PRO 67 N 0.36 -1.27 0.15 2.90 0.04 -1.26 -4.94 135.00 130.99 2da1 s PRO 67 Ca 0.28 -0.08 -0.24 0.00 0.04 0.00 0.00 61.00 61.00 2da1 s PRO 67 Cb -0.05 -1.59 0.03 0.00 0.04 0.00 0.00 34.50 32.93 2da1 s PRO 67 CO -0.13 -3.74 1.61 0.77 0.04 0.00 0.00 177.00 175.55 2da1 h SER 68 N -2.60 -1.00 -4.43 6.66 0.02 -2.06 -3.41 113.55 106.73 2da1 h SER 68 Ca -0.45 0.17 -0.50 0.00 -0.84 0.00 0.00 61.79 60.18 2da1 h SER 68 Cb 1.29 0.46 0.08 0.00 0.14 0.00 0.00 62.40 64.37 2da1 h SER 68 CO 0.34 -0.32 0.41 -0.44 -1.14 0.00 0.00 176.83 175.67 2da1 s SER 69 N -5.03 5.55 0.00 3.07 0.01 -1.26 -5.35 113.70 110.69 2da1 s SER 69 Ca -0.15 1.23 0.00 0.00 1.31 0.00 0.00 55.95 58.35 2da1 s SER 69 Cb 0.12 -2.09 0.00 0.00 0.21 0.00 0.00 66.02 64.26 2da1 s SER 69 CO 0.67 -1.29 0.00 0.61 0.41 0.00 0.00 173.24 173.64