#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 -0.30 -0.01 1.61 0.15 -1.26 -5.16 113.70 108.73 2da1 s SER 2 Ca 0.00 0.98 -0.28 0.00 0.70 0.00 0.00 55.95 57.35 2da1 s SER 2 Cb 0.00 1.25 0.09 0.00 -1.71 0.00 0.00 66.02 65.65 2da1 s SER 2 CO 0.00 -0.23 0.76 -0.55 1.20 0.00 0.00 173.24 174.43 2da1 s SER 3 N 2.40 -0.52 0.15 5.45 0.15 -1.26 -5.19 113.70 114.88 2da1 s SER 3 Ca -0.03 0.34 -0.25 0.00 0.70 0.00 0.00 55.95 56.71 2da1 s SER 3 Cb -0.11 0.48 0.07 0.00 -1.71 0.00 0.00 66.02 64.75 2da1 s SER 3 CO -0.13 -0.65 1.00 -0.83 1.20 0.00 0.00 173.24 173.83 2da1 s GLY 4 N -1.81 -0.18 0.46 9.45 0.00 -1.26 -5.18 107.32 108.80 2da1 s GLY 4 Ca -0.03 0.08 0.04 0.00 0.00 0.00 0.00 44.72 44.81 2da1 s GLY 4 CO -0.01 0.38 0.64 -1.35 0.00 0.00 0.00 173.10 172.76 2da1 s SER 5 N -3.02 5.62 -0.05 1.64 1.04 -1.26 -5.12 113.70 112.54 2da1 s SER 5 Ca 0.14 -0.11 -0.29 0.00 0.48 0.00 0.00 55.95 56.17 2da1 s SER 5 Cb -0.01 -1.00 0.11 0.00 0.10 0.00 0.00 66.02 65.22 2da1 s SER 5 CO 0.02 -0.82 0.90 -0.55 0.98 0.00 0.00 173.24 173.77 2da1 s SER 6 N -4.32 -0.39 0.00 7.02 0.15 -1.26 -5.15 113.70 109.75 2da1 s SER 6 Ca 0.53 0.17 0.00 0.00 0.70 0.00 0.00 55.95 57.34 2da1 s SER 6 Cb -0.10 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.58 2da1 s SER 6 CO 0.35 -0.54 0.00 0.61 1.20 0.00 0.00 173.24 174.86 2da1 n GLY 7 N 0.12 -3.06 3.07 9.45 0.00 -1.26 -4.88 105.19 108.63 2da1 n GLY 7 Ca -0.10 -0.26 -0.27 0.00 0.00 0.00 0.00 46.02 45.39 2da1 n GLY 7 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2da1 n LYS 8 N 0.00 -1.15 -3.74 1.61 0.00 -1.26 -5.04 118.16 108.58 2da1 n LYS 8 Ca 0.00 -0.33 -0.13 0.00 -0.00 0.00 0.00 58.31 57.85 2da1 n LYS 8 Cb 0.00 -1.36 -0.08 0.00 -0.00 0.00 0.00 35.03 33.59 2da1 n LYS 8 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 2da1 s ARG 9 N -2.87 0.76 0.96 -1.58 3.03 -1.26 -5.17 118.95 112.82 2da1 s ARG 9 Ca 0.39 -0.32 -0.12 0.00 2.03 0.00 0.00 55.73 57.71 2da1 s ARG 9 Cb -0.02 0.33 0.17 0.00 -1.03 0.00 0.00 34.95 34.40 2da1 s ARG 9 CO 0.51 -0.23 1.09 -1.25 -1.13 0.00 0.00 175.30 174.30 2da1 s PRO 10 N -1.91 0.70 0.27 3.89 0.04 -1.26 -5.07 135.00 131.66 2da1 s PRO 10 Ca -0.09 0.62 0.08 0.00 0.04 0.00 0.00 61.00 61.65 2da1 s PRO 10 Cb -0.03 -1.76 -0.04 0.00 0.04 0.00 0.00 34.50 32.71 2da1 s PRO 10 CO 0.01 -2.57 0.12 -0.98 0.04 0.00 0.00 177.00 173.62 2da1 s ARG 11 N -4.95 2.63 0.09 4.56 3.03 -1.26 -5.09 118.95 117.96 2da1 s ARG 11 Ca 0.65 -1.25 -0.31 0.00 2.03 0.00 0.00 55.73 56.85 2da1 s ARG 11 Cb -0.18 -2.37 -0.07 0.00 -1.03 0.00 0.00 34.95 31.29 2da1 s ARG 11 CO 0.57 0.34 1.31 0.95 -1.13 0.00 0.00 175.30 177.35 2da1 s THR 12 N -2.24 3.61 -0.30 4.99 -4.23 -1.26 -5.00 115.64 111.21 2da1 s THR 12 Ca 0.33 1.15 -0.14 0.00 -1.18 0.00 0.00 61.69 61.85 2da1 s THR 12 Cb -0.07 -3.74 0.15 0.00 1.34 0.00 0.00 72.50 70.18 2da1 s THR 12 CO 0.23 0.09 0.89 -0.60 -0.54 0.00 0.00 174.62 174.68 2da1 s ARG 13 N 1.15 0.40 0.04 3.99 3.52 -1.26 -5.16 118.95 121.62 2da1 s ARG 13 Ca 0.62 0.92 -0.11 0.00 -0.13 0.00 0.00 55.73 57.03 2da1 s ARG 13 Cb -0.34 0.45 -0.06 0.00 -1.56 0.00 0.00 34.95 33.45 2da1 s ARG 13 CO 0.30 -0.12 0.39 0.42 -0.81 0.00 0.00 175.30 175.47 2da1 s ILE 14 N 2.29 5.10 0.44 4.11 1.01 -1.26 -5.10 121.20 127.78 2da1 s ILE 14 Ca -0.05 0.58 0.07 0.00 0.00 0.00 0.00 60.65 61.25 2da1 s ILE 14 Cb -0.07 -3.66 -0.02 0.00 0.01 0.00 0.00 42.46 38.72 2da1 s ILE 14 CO -0.18 0.42 0.31 0.28 0.00 0.00 0.00 174.94 175.77 2da1 s THR 15 N -1.25 2.36 0.45 2.92 -1.32 -1.26 -4.97 115.64 112.57 2da1 s THR 15 Ca 0.28 -1.50 0.14 0.00 -1.21 0.00 0.00 61.69 59.40 2da1 s THR 15 Cb -0.15 -2.86 0.19 0.00 -1.51 0.00 0.00 72.50 68.17 2da1 s THR 15 CO 0.15 0.00 2.00 0.44 -2.21 0.00 0.00 174.62 175.00 2da1 h ASP 16 N 1.13 0.03 0.69 8.08 5.19 -1.99 0.11 116.42 129.66 2da1 h ASP 16 Ca -0.41 -0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 55.90 2da1 h ASP 16 Cb 1.27 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.76 2da1 h ASP 16 CO 0.62 0.19 -0.45 0.44 -3.12 0.00 0.00 179.24 176.92 2da1 h ASP 17 N 0.03 0.00 0.42 6.45 3.32 -2.01 -2.35 116.42 122.28 2da1 h ASP 17 Ca 0.01 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.75 2da1 h ASP 17 Cb 0.30 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.80 2da1 h ASP 17 CO 0.02 0.45 -1.75 1.56 -1.72 0.00 0.00 179.24 177.80 2da1 h GLN 18 N 0.00 0.06 -0.17 3.56 4.20 -1.71 -3.38 115.11 117.67 2da1 h GLN 18 Ca -0.00 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 58.57 2da1 h GLN 18 Cb 0.92 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.73 2da1 h GLN 18 CO 0.06 0.67 -0.02 1.25 -0.67 0.00 0.00 178.83 180.12 2da1 h LEU 19 N 0.02 0.32 -1.33 1.46 5.85 -0.78 -2.95 115.31 117.89 2da1 h LEU 19 Ca -0.31 -0.34 0.29 0.00 0.84 0.00 0.00 57.88 58.36 2da1 h LEU 19 Cb 2.02 -0.09 -0.10 0.00 0.37 0.00 0.00 40.66 42.86 2da1 h LEU 19 CO 0.08 0.58 0.68 0.08 -0.34 0.00 0.00 178.44 179.52 2da1 h ARG 20 N 0.05 0.35 -0.63 1.25 0.11 -1.60 0.48 114.38 114.39 2da1 h ARG 20 Ca 0.05 -0.02 -0.08 0.00 0.10 0.00 0.00 59.98 60.03 2da1 h ARG 20 Cb 0.43 -0.08 -0.03 0.00 1.11 0.00 0.00 29.97 31.40 2da1 h ARG 20 CO 0.01 0.23 0.08 0.28 0.10 0.00 0.00 179.97 180.68 2da1 h VAL 21 N 0.37 1.26 0.01 0.08 2.07 -1.69 -1.13 116.25 117.22 2da1 h VAL 21 Ca 0.63 -1.04 -0.20 0.00 0.82 0.00 0.00 66.70 66.92 2da1 h VAL 21 Cb 1.63 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 32.06 2da1 h VAL 21 CO -0.34 0.39 -0.90 -0.07 0.02 0.00 0.00 177.57 176.67 2da1 h LEU 22 N 0.98 0.17 0.24 2.57 3.38 -0.20 -3.29 115.31 119.15 2da1 h LEU 22 Ca 0.19 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2da1 h LEU 22 Cb 0.45 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2da1 h LEU 22 CO 0.02 0.98 -0.11 0.03 0.09 0.00 0.00 178.44 179.44 2da1 h ARG 23 N 0.07 -0.31 -0.95 1.13 2.47 -0.47 -2.10 114.38 114.22 2da1 h ARG 23 Ca -0.04 0.02 0.29 0.00 -1.26 0.00 0.00 59.98 59.00 2da1 h ARG 23 Cb 1.54 0.07 -0.15 0.00 -1.65 0.00 0.00 29.97 29.78 2da1 h ARG 23 CO 0.13 0.04 0.38 1.96 0.56 0.00 0.00 179.97 183.04 2da1 h GLN 24 N -0.71 0.20 -0.26 0.04 1.08 -1.31 0.46 115.11 114.61 2da1 h GLN 24 Ca -0.03 -0.01 -0.19 0.00 -1.45 0.00 0.00 58.65 56.96 2da1 h GLN 24 Cb 0.49 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.87 2da1 h GLN 24 CO 0.05 0.13 -0.59 1.88 -0.95 0.00 0.00 178.83 179.36 2da1 h TYR 25 N 0.21 1.10 -0.46 2.96 -1.99 -1.61 -3.08 116.97 114.10 2da1 h TYR 25 Ca 0.66 -0.41 0.09 0.00 2.00 0.00 0.00 58.73 61.07 2da1 h TYR 25 Cb 1.47 -0.20 -0.10 0.00 2.00 0.00 0.00 36.73 39.90 2da1 h TYR 25 CO -0.16 1.25 -0.21 0.35 -0.00 0.00 0.00 178.16 179.38 2da1 h PHE 26 N 0.64 -0.54 0.09 4.88 3.57 0.63 0.25 116.94 126.46 2da1 h PHE 26 Ca 0.00 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 2da1 h PHE 26 Cb 1.21 0.31 -0.00 0.00 2.79 0.00 0.00 35.95 40.25 2da1 h PHE 26 CO 0.08 -0.30 -0.06 0.22 -2.23 0.00 0.00 178.31 176.02 2da1 h ASP 27 N -0.12 -0.16 -0.04 0.41 3.58 -1.46 -1.78 116.42 116.85 2da1 h ASP 27 Ca 0.22 0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.69 2da1 h ASP 27 Cb 0.46 0.05 -0.00 0.00 1.72 0.00 0.00 39.33 41.56 2da1 h ASP 27 CO -0.53 -0.10 0.05 0.40 -2.88 0.00 0.00 179.24 176.17 2da1 h ILE 28 N -0.16 0.41 -1.62 2.25 2.04 -1.24 -3.42 117.51 115.77 2da1 h ILE 28 Ca -0.00 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.93 2da1 h ILE 28 Cb 0.14 0.96 -0.26 0.00 -0.74 0.00 0.00 36.82 36.92 2da1 h ILE 28 CO -0.00 0.00 0.39 0.54 0.00 0.00 0.00 178.15 179.08 2da1 s ASN 29 N -5.87 -0.51 0.13 1.72 4.22 0.78 -5.06 114.94 110.34 2da1 s ASN 29 Ca -0.05 0.91 -0.29 0.00 -2.14 0.00 0.00 52.86 51.30 2da1 s ASN 29 Cb 0.15 1.05 -0.08 0.00 1.28 0.00 0.00 41.25 43.64 2da1 s ASN 29 CO 0.52 -0.15 1.49 0.78 -2.04 0.00 0.00 177.10 177.69 2da1 h ASN 30 N 5.08 -1.83 -4.29 3.54 2.35 -1.79 -3.31 115.58 115.33 2da1 h ASN 30 Ca -0.28 0.26 -0.52 0.00 -0.55 0.00 0.00 56.30 55.21 2da1 h ASN 30 Cb 1.19 0.78 -0.26 0.00 0.05 0.00 0.00 38.32 40.08 2da1 h ASN 30 CO 0.14 -0.27 -0.82 -0.44 -1.65 0.00 0.00 177.43 174.38 2da1 s SER 31 N -5.05 2.07 0.90 5.81 0.01 -1.26 -4.71 113.70 111.46 2da1 s SER 31 Ca -0.12 -0.45 -0.12 0.00 1.31 0.00 0.00 55.95 56.58 2da1 s SER 31 Cb 0.09 -0.17 0.13 0.00 0.21 0.00 0.00 66.02 66.27 2da1 s SER 31 CO 0.55 0.13 1.09 -2.16 0.41 0.00 0.00 173.24 173.26 2da1 s PRO 32 N -0.98 1.25 0.19 12.44 0.04 -1.26 -5.06 135.00 141.62 2da1 s PRO 32 Ca 0.05 0.82 0.07 0.00 0.04 0.00 0.00 61.00 61.98 2da1 s PRO 32 Cb -0.08 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.61 2da1 s PRO 32 CO 0.01 -2.25 0.05 -1.54 0.04 0.00 0.00 177.00 173.32 2da1 s SER 33 N -3.42 4.99 0.53 6.66 1.04 -1.26 -4.81 113.70 117.43 2da1 s SER 33 Ca 0.63 -0.36 0.34 0.00 0.48 0.00 0.00 55.95 57.04 2da1 s SER 33 Cb -0.18 -1.13 1.15 0.00 0.10 0.00 0.00 66.02 65.96 2da1 s SER 33 CO 0.57 0.06 1.28 -0.62 0.98 0.00 0.00 173.24 175.51 2da1 n GLU 34 N -0.41 0.01 -0.02 4.02 1.02 -1.26 0.17 120.64 124.17 2da1 n GLU 34 Ca -0.09 0.95 -0.16 0.00 -0.02 0.00 0.00 57.16 57.84 2da1 n GLU 34 Cb 0.56 -2.30 -0.13 0.00 -0.02 0.00 0.00 31.44 29.55 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 0.14 -0.15 3.49 5.08 -2.00 -3.21 114.58 117.93 2da1 h GLU 35 Ca 0.63 -0.22 -0.07 0.00 -1.00 0.00 0.00 59.36 58.70 2da1 h GLU 35 Cb 3.01 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 32.34 2da1 h GLU 35 CO -0.01 1.07 -0.17 1.96 -1.00 0.00 0.00 179.01 180.87 2da1 h GLN 36 N -0.69 0.38 -0.53 2.33 4.20 0.14 -1.36 115.11 119.59 2da1 h GLN 36 Ca -0.06 -0.21 0.15 0.00 0.06 0.00 0.00 58.65 58.60 2da1 h GLN 36 Cb 1.23 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 29.00 2da1 h GLN 36 CO 0.06 0.77 0.45 0.82 -0.67 0.00 0.00 178.83 180.26 2da1 h ILE 37 N 0.02 0.53 0.03 2.54 2.04 -0.65 0.93 117.51 122.94 2da1 h ILE 37 Ca 0.02 0.00 -0.20 0.00 1.00 0.00 0.00 64.86 65.68 2da1 h ILE 37 Cb 0.71 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 2da1 h ILE 37 CO 0.04 0.00 -1.09 0.50 0.00 0.00 0.00 178.15 177.60 2da1 h LYS 38 N 0.00 0.07 -0.23 2.37 1.63 -1.52 -2.68 116.57 116.22 2da1 h LYS 38 Ca 0.25 -0.12 0.06 0.00 -0.85 0.00 0.00 60.65 59.99 2da1 h LYS 38 Cb 1.15 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.81 2da1 h LYS 38 CO -0.00 1.06 0.16 1.05 -3.45 0.00 0.00 179.45 178.27 2da1 h GLU 39 N -0.78 0.02 0.04 1.90 4.11 -0.43 -2.57 114.58 116.88 2da1 h GLU 39 Ca -0.27 -0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.02 2da1 h GLU 39 Cb 1.39 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.63 2da1 h GLU 39 CO -0.09 0.02 -0.68 0.52 0.07 0.00 0.00 179.01 178.85 2da1 h MET 40 N 0.03 0.09 -1.12 1.06 2.86 -0.98 -2.54 114.93 114.32 2da1 h MET 40 Ca 0.11 -0.16 0.32 0.00 -2.06 0.00 0.00 59.70 57.91 2da1 h MET 40 Cb 0.40 0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.07 2da1 h MET 40 CO -0.00 1.08 0.88 0.00 1.06 0.00 0.00 176.91 179.93 2da1 h ALA 41 N -0.11 3.02 0.08 6.32 0.00 -1.10 0.92 119.26 128.38 2da1 h ALA 41 Ca -0.16 -0.04 -0.35 0.00 0.00 0.00 0.00 54.91 54.36 2da1 h ALA 41 Cb 1.31 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.16 2da1 h ALA 41 CO -0.01 -1.46 -1.97 -3.47 0.00 0.00 0.00 179.25 172.34 2da1 n ASP 42 N -3.97 2.05 -0.36 0.00 -0.08 -1.03 -1.05 116.55 112.10 2da1 n ASP 42 Ca 0.24 0.20 0.06 0.00 -1.51 0.00 0.00 54.79 53.78 2da1 n ASP 42 Cb 1.25 -0.81 0.23 0.00 2.34 0.00 0.00 41.12 44.13 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 -0.20 1.00 0.00 -0.67 1.57 -0.47 -3.12 116.57 114.68 2da1 h LYS 43 Ca -0.45 -0.06 -0.39 0.00 -1.87 0.00 0.00 60.65 57.88 2da1 h LYS 43 Cb 1.85 -0.23 -0.07 0.00 0.08 0.00 0.00 32.23 33.87 2da1 h LYS 43 CO -0.03 0.66 -2.47 -1.13 -0.57 0.00 0.00 179.45 175.92 2da1 n SER 44 N -4.59 1.87 0.00 0.86 3.41 0.03 -5.02 113.62 110.18 2da1 n SER 44 Ca 0.18 -0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 2da1 n SER 44 Cb 0.32 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 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 2.23 0.93 3.81 5.00 0.00 -0.21 -5.07 105.19 111.87 2da1 n GLY 45 Ca -0.45 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.23 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 4.04 1.25 0.99 1.43 -0.69 -4.88 118.68 120.81 2da1 s LEU 46 Ca 0.00 1.73 -0.21 0.00 -1.03 0.00 0.00 54.13 54.62 2da1 s LEU 46 Cb 0.00 -4.41 0.31 0.00 0.03 0.00 0.00 46.19 42.12 2da1 s LEU 46 CO 0.00 -0.29 1.11 -2.16 0.23 0.00 0.00 176.35 175.24 2da1 s PRO 47 N -2.90 -1.59 0.18 1.29 0.04 -1.26 -4.06 135.00 126.70 2da1 s PRO 47 Ca 0.59 -0.19 0.25 0.00 0.04 0.00 0.00 61.00 61.68 2da1 s PRO 47 Cb -0.11 -1.56 0.49 0.00 0.04 0.00 0.00 34.50 33.35 2da1 s PRO 47 CO 0.16 -3.93 1.49 1.96 0.04 0.00 0.00 177.00 176.71 2da1 h GLN 48 N -2.74 0.00 0.14 4.56 4.20 -1.95 -3.09 115.11 116.24 2da1 h GLN 48 Ca -0.42 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.01 2da1 h GLN 48 Cb 1.28 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.07 2da1 h GLN 48 CO 0.29 0.00 -1.33 1.57 -0.67 0.00 0.00 178.83 178.68 2da1 h LYS 49 N 0.00 0.31 -0.33 1.46 2.10 -1.97 -2.92 116.57 115.22 2da1 h LYS 49 Ca 0.00 -0.52 -0.10 0.00 -2.00 0.00 0.00 60.65 58.02 2da1 h LYS 49 Cb 0.77 0.20 -0.01 0.00 -0.90 0.00 0.00 32.23 32.29 2da1 h LYS 49 CO 0.00 1.25 -0.20 0.28 -2.00 0.00 0.00 179.45 178.79 2da1 h VAL 50 N -0.22 1.29 0.37 0.07 2.07 -1.95 -1.92 116.25 115.96 2da1 h VAL 50 Ca -0.27 -1.33 -0.02 0.00 0.82 0.00 0.00 66.70 65.91 2da1 h VAL 50 Cb 1.82 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 33.04 2da1 h VAL 50 CO 0.12 0.43 -0.18 0.40 0.02 0.00 0.00 177.57 178.36 2da1 h ILE 51 N 0.48 0.62 -0.10 4.57 2.04 -1.70 -1.36 117.51 122.05 2da1 h ILE 51 Ca 0.07 -0.40 0.04 0.00 1.00 0.00 0.00 64.86 65.57 2da1 h ILE 51 Cb 0.74 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 37.59 2da1 h ILE 51 CO 0.06 0.07 -0.21 0.11 0.00 0.00 0.00 178.15 178.18 2da1 h LYS 52 N -0.74 -0.26 -0.56 2.37 1.57 -1.58 -1.77 116.57 115.59 2da1 h LYS 52 Ca -0.05 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.83 2da1 h LYS 52 Cb 0.51 0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.81 2da1 h LYS 52 CO 0.08 -0.18 0.21 1.25 -0.57 0.00 0.00 179.45 180.24 2da1 h HIS 53 N -0.27 0.36 -0.27 -1.35 2.76 -1.37 -2.17 115.15 112.83 2da1 h HIS 53 Ca 0.09 0.03 0.06 0.00 -2.20 0.00 0.00 60.37 58.35 2da1 h HIS 53 Cb 0.41 -0.08 -0.06 0.00 1.55 0.00 0.00 27.41 29.23 2da1 h HIS 53 CO -0.30 0.10 -0.12 2.35 -1.30 0.00 0.00 177.93 178.66 2da1 h TRP 54 N 0.39 -0.29 -0.77 5.26 7.01 -0.57 0.79 115.95 127.76 2da1 h TRP 54 Ca 0.28 0.03 0.13 0.00 2.11 0.00 0.00 58.89 61.43 2da1 h TRP 54 Cb 0.32 0.17 -0.05 0.00 -2.10 0.00 0.00 29.16 27.50 2da1 h TRP 54 CO -0.17 -0.19 0.51 0.74 -2.79 0.00 0.00 178.44 176.55 2da1 h PHE 55 N -0.08 0.62 -0.05 2.65 0.04 -0.73 -1.96 116.94 117.42 2da1 h PHE 55 Ca 0.14 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.88 2da1 h PHE 55 Cb 0.29 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 38.25 2da1 h PHE 55 CO -0.31 0.26 -0.14 0.00 -0.60 0.00 0.00 178.31 177.52 2da1 h ARG 56 N 0.55 0.17 -1.03 1.51 -0.00 -0.65 0.38 114.38 115.31 2da1 h ARG 56 Ca 0.37 -0.12 0.26 0.00 -0.50 0.00 0.00 59.98 59.98 2da1 h ARG 56 Cb 0.69 0.02 -0.10 0.00 0.00 0.00 0.00 29.97 30.58 2da1 h ARG 56 CO -0.14 0.74 0.65 -0.97 0.00 0.00 0.00 179.97 180.25 2da1 h ASN 57 N -0.37 0.52 0.05 7.04 -0.73 -0.16 1.10 115.58 123.03 2da1 h ASN 57 Ca -0.00 0.10 -0.29 0.00 1.87 0.00 0.00 56.30 57.98 2da1 h ASN 57 Cb 0.76 0.01 -0.03 0.00 0.27 0.00 0.00 38.32 39.33 2da1 h ASN 57 CO 0.03 0.10 -1.55 0.00 -0.37 0.00 0.00 177.43 175.64 2da1 h THR 58 N 0.46 0.80 0.56 -3.57 1.03 -1.45 -3.36 112.91 107.38 2da1 h THR 58 Ca 0.60 -2.24 -0.03 0.00 -0.01 0.00 0.00 66.41 64.73 2da1 h THR 58 Cb 1.39 2.33 0.01 0.00 -1.07 0.00 0.00 68.15 70.81 2da1 h THR 58 CO -0.34 0.54 -0.27 0.25 -0.01 0.00 0.00 175.52 175.69 2da1 h LEU 59 N -0.58 -0.63 -0.77 0.00 5.85 0.37 -2.23 115.31 117.31 2da1 h LEU 59 Ca -0.38 0.02 0.23 0.00 0.84 0.00 0.00 57.88 58.59 2da1 h LEU 59 Cb 1.59 0.16 -0.14 0.00 0.37 0.00 0.00 40.66 42.64 2da1 h LEU 59 CO -0.09 -0.34 0.07 0.33 -0.34 0.00 0.00 178.44 178.06 2da1 n PHE 60 N -4.63 0.54 -0.13 1.25 7.35 0.37 0.23 117.46 122.45 2da1 n PHE 60 Ca -0.09 0.92 -0.12 0.00 -0.76 0.00 0.00 57.45 57.40 2da1 n PHE 60 Cb 0.29 -1.11 -0.02 0.00 0.35 0.00 0.00 39.48 38.99 2da1 n PHE 60 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 2da1 h LYS 61 N 0.00 0.80 -0.60 -4.13 3.64 -1.66 -2.79 116.57 111.84 2da1 h LYS 61 Ca 0.49 -0.35 0.17 0.00 -1.27 0.00 0.00 60.65 59.70 2da1 h LYS 61 Cb 1.06 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.83 2da1 h LYS 61 CO -0.71 0.97 0.48 0.93 -2.27 0.00 0.00 179.45 178.86 2da1 h GLU 62 N 0.61 0.00 0.15 1.90 5.08 0.36 -0.68 114.58 122.00 2da1 h GLU 62 Ca 0.09 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.25 2da1 h GLU 62 Cb 0.73 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.00 2da1 h GLU 62 CO 0.05 0.00 -0.89 0.00 -1.00 0.00 0.00 179.01 177.18 2da1 h ARG 63 N 0.00 0.33 0.00 2.33 3.08 -1.11 -3.47 114.38 115.54 2da1 h ARG 63 Ca 0.28 -0.56 -0.25 0.00 0.07 0.00 0.00 59.98 59.52 2da1 h ARG 63 Cb 1.24 0.21 0.04 0.00 0.08 0.00 0.00 29.97 31.55 2da1 h ARG 63 CO -0.00 1.27 0.06 0.00 -1.07 0.00 0.00 179.97 180.22 2da1 n GLN 64 N -4.08 0.25 -4.68 0.04 10.64 -0.26 -5.12 117.38 114.17 2da1 n GLN 64 Ca -0.14 -1.46 -0.31 0.00 -1.83 0.00 0.00 57.00 53.26 2da1 n GLN 64 Cb 0.85 -0.35 -0.13 0.00 -0.86 0.00 0.00 30.24 29.76 2da1 n GLN 64 CO 0.00 0.00 0.00 -1.12 -1.83 0.00 0.00 177.06 174.11 2da1 s SER 65 N -3.17 3.82 -0.44 2.61 0.01 -1.26 -4.86 113.70 110.41 2da1 s SER 65 Ca 0.35 -0.40 0.05 0.00 1.31 0.00 0.00 55.95 57.26 2da1 s SER 65 Cb -0.02 -0.63 0.19 0.00 0.21 0.00 0.00 66.02 65.77 2da1 s SER 65 CO 0.23 0.26 0.42 0.61 0.41 0.00 0.00 173.24 175.18 2da1 n GLY 66 N 1.61 2.62 0.18 3.44 0.00 -1.26 -4.95 105.19 106.83 2da1 n GLY 66 Ca -0.16 -1.56 0.03 0.00 0.00 0.00 0.00 46.02 44.33 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 5.12 0.00 0.04 1.61 0.13 -2.03 -3.27 132.00 133.61 2da1 h PRO 67 Ca 0.20 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.33 2da1 h PRO 67 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 2da1 h PRO 67 CO 0.45 0.42 -0.02 1.03 -0.23 0.00 0.00 178.00 179.65 2da1 h SER 68 N 0.00 -0.05 -6.41 1.44 0.87 -2.07 -3.47 113.55 103.86 2da1 h SER 68 Ca -0.00 -0.54 -0.49 0.00 -1.23 0.00 0.00 61.79 59.52 2da1 h SER 68 Cb 0.82 0.01 -0.07 0.00 -0.44 0.00 0.00 62.40 62.72 2da1 h SER 68 CO 0.05 0.68 -0.79 -0.24 -0.53 0.00 0.00 176.83 176.00 2da1 n SER 69 N -4.75 -3.78 0.00 6.23 2.88 -1.24 -5.33 113.62 107.64 2da1 n SER 69 Ca -0.07 -0.86 0.00 0.00 -1.33 0.00 0.00 58.87 56.61 2da1 n SER 69 Cb 0.28 -3.55 0.00 0.00 -0.75 0.00 0.00 64.21 60.20 2da1 n SER 69 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42