#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dm1 n SER 2 N 0.00 1.01 -1.77 1.61 3.41 -1.26 -4.75 113.62 111.87 2dm1 n SER 2 Ca 0.00 0.11 -0.09 0.00 -0.26 0.00 0.00 58.87 58.64 2dm1 n SER 2 Cb 0.00 -1.11 -0.02 0.00 -0.26 0.00 0.00 64.21 62.82 2dm1 n SER 2 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2dm1 n SER 3 N 11.28 5.72 -2.84 4.04 3.41 -1.26 -4.72 113.62 129.26 2dm1 n SER 3 Ca 0.55 -2.66 -0.12 0.00 -0.26 0.00 0.00 58.87 56.38 2dm1 n SER 3 Cb 0.16 -1.17 0.06 0.00 -0.26 0.00 0.00 64.21 63.00 2dm1 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dm1 n GLY 4 N 1.30 -0.49 3.59 5.00 0.00 -1.26 -5.04 105.19 108.30 2dm1 n GLY 4 Ca 0.19 0.23 -0.11 0.00 0.00 0.00 0.00 46.02 46.33 2dm1 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dm1 s SER 5 N -3.57 -0.41 0.26 1.61 1.04 -1.26 -5.18 113.70 106.17 2dm1 s SER 5 Ca 0.22 0.57 0.06 0.00 0.48 0.00 0.00 55.95 57.27 2dm1 s SER 5 Cb -0.03 0.49 -0.05 0.00 0.10 0.00 0.00 66.02 66.53 2dm1 s SER 5 CO 0.56 -0.30 -0.05 -0.94 0.98 0.00 0.00 173.24 173.50 2dm1 s SER 6 N -0.70 2.43 -0.38 7.02 1.04 -1.26 -4.95 113.70 116.90 2dm1 s SER 6 Ca -0.01 -1.19 -0.20 0.00 0.48 0.00 0.00 55.95 55.04 2dm1 s SER 6 Cb -0.02 -0.11 0.03 0.00 0.10 0.00 0.00 66.02 66.02 2dm1 s SER 6 CO -0.00 -0.39 0.48 0.61 0.98 0.00 0.00 173.24 174.92 2dm1 n GLY 7 N -0.51 -1.15 2.51 7.32 0.00 -1.26 -4.96 105.19 107.13 2dm1 n GLY 7 Ca -0.06 1.01 -0.17 0.00 0.00 0.00 0.00 46.02 46.80 2dm1 n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dm1 n GLY 8 N 0.03 4.07 3.54 -0.02 0.00 -1.26 -4.96 105.19 106.59 2dm1 n GLY 8 Ca 0.03 -2.04 -0.25 0.00 0.00 0.00 0.00 46.02 43.76 2dm1 n GLY 8 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dm1 s THR 9 N -4.37 1.62 0.05 2.61 -4.23 -1.26 -1.68 115.64 108.38 2dm1 s THR 9 Ca 0.39 -2.01 -0.04 0.00 -1.18 0.00 0.00 61.69 58.86 2dm1 s THR 9 Cb 0.41 -2.89 -0.02 0.00 1.34 0.00 0.00 72.50 71.34 2dm1 s THR 9 CO -0.06 -0.01 0.05 0.00 -0.54 0.00 0.00 174.62 174.06 2dm1 s ALA 10 N -2.99 0.18 -0.14 3.99 0.00 -0.51 -2.34 121.76 119.96 2dm1 s ALA 10 Ca 0.36 -0.88 -0.01 0.00 0.00 0.00 0.00 51.96 51.43 2dm1 s ALA 10 Cb 0.09 0.31 -0.01 0.00 0.00 0.00 0.00 23.12 23.51 2dm1 s ALA 10 CO 0.17 -0.37 -0.12 0.54 0.00 0.00 0.00 175.76 175.97 2dm1 s VAL 11 N -3.43 3.04 -0.54 0.00 0.11 -0.64 -1.36 120.40 117.58 2dm1 s VAL 11 Ca 0.02 -0.65 -0.27 0.00 -2.93 0.00 0.00 61.98 58.14 2dm1 s VAL 11 Cb 0.04 -2.29 -0.01 0.00 -1.53 0.00 0.00 36.38 32.58 2dm1 s VAL 11 CO -0.08 0.51 1.77 0.00 -3.33 0.00 0.00 175.10 173.97 2dm1 s ALA 12 N 0.52 2.44 -0.34 1.54 0.00 -1.06 -1.36 121.76 123.50 2dm1 s ALA 12 Ca -0.08 -0.45 0.27 0.00 0.00 0.00 0.00 51.96 51.70 2dm1 s ALA 12 Cb -0.16 -4.20 0.99 0.00 0.00 0.00 0.00 23.12 19.75 2dm1 s ALA 12 CO 0.04 -3.44 1.80 0.00 0.00 0.00 0.00 175.76 174.15 2dm1 h ARG 13 N 13.82 0.00 -3.94 0.00 2.47 -1.62 -2.42 114.38 122.68 2dm1 h ARG 13 Ca -0.28 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.33 2dm1 h ARG 13 Cb 1.15 0.00 -0.16 0.00 -1.65 0.00 0.00 29.97 29.32 2dm1 h ARG 13 CO 1.17 0.00 -0.52 0.71 0.56 0.00 0.00 179.97 181.89 2dm1 s TYR 14 N -3.37 0.28 0.40 3.04 2.02 -1.21 -4.92 117.35 113.59 2dm1 s TYR 14 Ca 0.05 -0.70 -0.20 0.00 -0.37 0.00 0.00 57.07 55.85 2dm1 s TYR 14 Cb 0.09 -0.19 -0.11 0.00 -0.40 0.00 0.00 41.96 41.36 2dm1 s TYR 14 CO 0.51 -0.43 0.90 0.54 -1.57 0.00 0.00 175.55 175.50 2dm1 s ASN 15 N -2.62 6.93 0.03 2.29 4.22 -1.26 -4.33 114.94 120.19 2dm1 s ASN 15 Ca 0.02 1.61 -0.01 0.00 -2.14 0.00 0.00 52.86 52.34 2dm1 s ASN 15 Cb 0.04 -2.51 -0.02 0.00 1.28 0.00 0.00 41.25 40.04 2dm1 s ASN 15 CO -0.08 -0.31 -0.02 0.12 -2.04 0.00 0.00 177.10 174.77 2dm1 s PHE 16 N -2.11 0.33 -0.28 1.54 5.36 -0.27 -4.98 117.98 117.57 2dm1 s PHE 16 Ca 0.60 -0.68 0.03 0.00 -0.96 0.00 0.00 56.93 55.91 2dm1 s PHE 16 Cb -0.10 -0.24 0.07 0.00 -0.34 0.00 0.00 43.02 42.41 2dm1 s PHE 16 CO 0.14 -0.26 -0.04 0.00 -1.46 0.00 0.00 175.22 173.60 2dm1 s ALA 17 N -2.28 2.47 -0.54 11.12 0.00 -1.26 -3.19 121.76 128.09 2dm1 s ALA 17 Ca -0.08 -1.90 -0.29 0.00 0.00 0.00 0.00 51.96 49.70 2dm1 s ALA 17 Cb -0.04 -1.67 -0.10 0.00 0.00 0.00 0.00 23.12 21.31 2dm1 s ALA 17 CO -0.04 -1.37 2.42 0.00 0.00 0.00 0.00 175.76 176.78 2dm1 n ALA 18 N 4.45 0.84 -0.11 0.00 0.00 -1.26 -4.79 120.51 119.65 2dm1 n ALA 18 Ca -0.08 -0.61 0.10 0.00 0.00 0.00 0.00 53.44 52.85 2dm1 n ALA 18 Cb 0.42 -2.90 0.45 0.00 0.00 0.00 0.00 19.45 17.42 2dm1 n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dm1 h ARG 19 N 16.63 0.51 -5.02 0.00 2.47 -1.96 -3.43 114.38 123.59 2dm1 h ARG 19 Ca -0.23 -0.03 -0.34 0.00 -1.26 0.00 0.00 59.98 58.12 2dm1 h ARG 19 Cb 1.28 -0.12 -0.20 0.00 -1.65 0.00 0.00 29.97 29.29 2dm1 h ARG 19 CO 1.16 0.34 -0.75 0.34 0.56 0.00 0.00 179.97 181.62 2dm1 s ASP 20 N -6.26 1.42 0.28 7.04 -1.08 -1.26 -5.04 116.67 111.76 2dm1 s ASP 20 Ca -0.08 -0.69 -0.04 0.00 -0.52 0.00 0.00 52.55 51.22 2dm1 s ASP 20 Cb 0.19 -0.01 0.57 0.00 -1.46 0.00 0.00 42.92 42.22 2dm1 s ASP 20 CO 0.75 -0.18 1.60 -0.03 0.52 0.00 0.00 175.17 177.83 2dm1 h MET 21 N 4.00 0.05 -0.62 4.34 1.85 -2.02 0.11 114.93 122.63 2dm1 h MET 21 Ca -0.38 -0.00 0.11 0.00 -0.61 0.00 0.00 59.70 58.82 2dm1 h MET 21 Cb 1.19 -0.01 -0.12 0.00 0.43 0.00 0.00 31.60 33.09 2dm1 h MET 21 CO 0.46 0.03 -0.31 0.00 -0.40 0.00 0.00 176.91 176.69 2dm1 h ARG 22 N 0.05 -0.13 -7.20 0.39 3.08 -1.96 -3.41 114.38 105.20 2dm1 h ARG 22 Ca 0.50 0.01 -0.50 0.00 0.07 0.00 0.00 59.98 60.06 2dm1 h ARG 22 Cb 0.93 0.03 0.21 0.00 0.08 0.00 0.00 29.97 31.22 2dm1 h ARG 22 CO -0.82 -0.08 0.10 0.39 -1.07 0.00 0.00 179.97 178.49 2dm1 n GLU 23 N -5.44 -1.06 -4.92 0.04 1.02 0.37 -1.60 120.64 109.04 2dm1 n GLU 23 Ca 0.05 -0.26 -0.32 0.00 -0.02 0.00 0.00 57.16 56.61 2dm1 n GLU 23 Cb 0.36 -2.29 -0.17 0.00 -0.02 0.00 0.00 31.44 29.32 2dm1 n GLU 23 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2dm1 s LEU 24 N -6.53 2.14 0.27 -4.62 2.96 -0.34 -4.41 118.68 108.15 2dm1 s LEU 24 Ca 0.67 -0.57 -0.29 0.00 -0.22 0.00 0.00 54.13 53.72 2dm1 s LEU 24 Cb -0.24 -1.44 -0.09 0.00 0.50 0.00 0.00 46.19 44.92 2dm1 s LEU 24 CO 0.61 0.12 1.18 -0.94 -1.32 0.00 0.00 176.35 176.00 2dm1 s SER 25 N 0.58 7.09 0.02 3.68 1.04 -1.26 -4.58 113.70 120.26 2dm1 s SER 25 Ca -0.13 2.38 0.08 0.00 0.48 0.00 0.00 55.95 58.76 2dm1 s SER 25 Cb -0.17 -2.63 -0.02 0.00 0.10 0.00 0.00 66.02 63.30 2dm1 s SER 25 CO 0.03 -0.31 -0.23 -0.76 0.98 0.00 0.00 173.24 172.95 2dm1 s LEU 26 N -1.22 2.11 -0.04 2.42 1.43 -1.19 -4.99 118.68 117.21 2dm1 s LEU 26 Ca 0.48 -0.49 0.06 0.00 -1.03 0.00 0.00 54.13 53.14 2dm1 s LEU 26 Cb -0.34 -1.15 -0.01 0.00 0.03 0.00 0.00 46.19 44.72 2dm1 s LEU 26 CO 0.43 0.24 -0.22 -0.60 0.23 0.00 0.00 176.35 176.43 2dm1 s ARG 27 N -0.92 2.04 -0.57 1.70 3.00 -1.26 -1.12 118.95 121.83 2dm1 s ARG 27 Ca 0.09 -0.79 -0.35 0.00 -1.00 0.00 0.00 55.73 53.68 2dm1 s ARG 27 Cb -0.09 -1.84 -0.15 0.00 0.00 0.00 0.00 34.95 32.87 2dm1 s ARG 27 CO 0.01 0.39 2.33 0.39 0.00 0.00 0.00 175.30 178.42 2dm1 n GLU 28 N 2.81 0.53 0.00 5.12 1.02 -1.26 0.61 120.64 129.46 2dm1 n GLU 28 Ca -0.17 0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 2dm1 n GLU 28 Cb 0.52 -2.10 0.00 0.00 -0.02 0.00 0.00 31.44 29.85 2dm1 n GLU 28 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dm1 n GLY 29 N 6.71 1.16 3.61 0.62 0.00 -0.91 -5.03 105.19 111.34 2dm1 n GLY 29 Ca 0.50 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.13 2dm1 n GLY 29 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dm1 s ASP 30 N -2.00 6.26 0.02 1.61 1.11 0.20 -4.90 116.67 118.97 2dm1 s ASP 30 Ca 0.00 0.29 -0.27 0.00 0.18 0.00 0.00 52.55 52.75 2dm1 s ASP 30 Cb 0.00 -2.21 -0.04 0.00 1.07 0.00 0.00 42.92 41.73 2dm1 s ASP 30 CO 0.00 -0.18 0.85 -0.69 1.18 0.00 0.00 175.17 176.32 2dm1 s VAL 31 N 2.06 4.80 -0.04 -1.27 1.01 -1.26 -2.57 120.40 123.13 2dm1 s VAL 31 Ca 0.15 1.79 0.07 0.00 0.00 0.00 0.00 61.98 63.98 2dm1 s VAL 31 Cb -0.16 -4.19 -0.02 0.00 0.00 0.00 0.00 36.38 32.02 2dm1 s VAL 31 CO 0.10 0.27 -0.25 -0.69 0.00 0.00 0.00 175.10 174.53 2dm1 s VAL 32 N 0.44 2.10 -0.54 2.92 1.01 -0.47 -4.52 120.40 121.34 2dm1 s VAL 32 Ca 0.43 -1.07 -0.17 0.00 0.00 0.00 0.00 61.98 61.18 2dm1 s VAL 32 Cb -0.21 -1.75 0.10 0.00 0.00 0.00 0.00 36.38 34.53 2dm1 s VAL 32 CO 0.24 0.57 0.57 -0.60 0.00 0.00 0.00 175.10 175.89 2dm1 s ARG 33 N -0.36 3.02 -0.48 2.72 6.06 -1.19 -1.42 118.95 127.30 2dm1 s ARG 33 Ca 0.02 -1.42 -0.26 0.00 -2.50 0.00 0.00 55.73 51.57 2dm1 s ARG 33 Cb -0.12 -4.24 -0.07 0.00 0.06 0.00 0.00 34.95 30.58 2dm1 s ARG 33 CO 0.02 -1.34 2.41 -0.89 -2.50 0.00 0.00 175.30 173.00 2dm1 n ILE 34 N 5.39 -0.04 -0.06 4.11 5.41 -0.68 -3.65 119.36 129.84 2dm1 n ILE 34 Ca -0.11 -0.74 -0.04 0.00 1.00 0.00 0.00 62.75 62.85 2dm1 n ILE 34 Cb 0.42 -2.71 -0.03 0.00 -0.71 0.00 0.00 39.64 36.61 2dm1 n ILE 34 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 176.55 178.43 2dm1 h TYR 35 N 18.94 0.00 -3.82 1.39 0.05 -1.22 -3.48 116.97 128.83 2dm1 h TYR 35 Ca -0.25 0.00 -0.55 0.00 0.05 0.00 0.00 58.73 57.98 2dm1 h TYR 35 Cb 1.27 0.00 -0.21 0.00 1.01 0.00 0.00 36.73 38.80 2dm1 h TYR 35 CO 0.96 0.26 -0.82 0.45 -1.05 0.00 0.00 178.16 177.96 2dm1 s SER 36 N -5.75 2.57 -0.22 3.88 0.15 -1.15 -5.02 113.70 108.16 2dm1 s SER 36 Ca -0.07 -0.72 0.05 0.00 0.70 0.00 0.00 55.95 55.92 2dm1 s SER 36 Cb -0.00 -0.14 -0.16 0.00 -1.71 0.00 0.00 66.02 64.00 2dm1 s SER 36 CO 0.19 0.04 -0.14 0.54 1.20 0.00 0.00 173.24 175.07 2dm1 n ARG 37 N 0.95 0.68 -2.10 5.44 1.74 -1.26 -2.24 116.66 119.88 2dm1 n ARG 37 Ca -0.18 0.10 -0.28 0.00 -0.77 0.00 0.00 57.85 56.71 2dm1 n ARG 37 Cb 0.54 -1.46 0.05 0.00 -1.02 0.00 0.00 32.46 30.57 2dm1 n ARG 37 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 2dm1 s ILE 38 N -2.45 3.18 0.00 0.55 -4.36 -1.26 -4.63 121.20 112.23 2dm1 s ILE 38 Ca -0.26 0.16 0.00 0.00 -0.26 0.00 0.00 60.65 60.29 2dm1 s ILE 38 Cb 0.07 -3.34 0.00 0.00 1.25 0.00 0.00 42.46 40.44 2dm1 s ILE 38 CO 0.57 -0.41 0.00 0.61 0.24 0.00 0.00 174.94 175.95 2dm1 n GLY 39 N -2.90 1.12 0.00 6.27 0.00 -1.26 -4.89 105.19 103.53 2dm1 n GLY 39 Ca 0.06 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.42 2dm1 n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dm1 n GLY 40 N 0.00 -2.92 3.19 -0.02 0.00 -1.26 -4.86 105.19 99.32 2dm1 n GLY 40 Ca 0.00 0.04 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 2dm1 n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dm1 s ASP 41 N -2.06 2.14 0.20 1.61 1.01 -1.26 -5.03 116.67 113.29 2dm1 s ASP 41 Ca 0.00 -0.38 -0.12 0.00 0.71 0.00 0.00 52.55 52.76 2dm1 s ASP 41 Cb 0.00 -0.22 0.24 0.00 1.01 0.00 0.00 42.92 43.96 2dm1 s ASP 41 CO 0.00 0.19 1.27 1.67 0.21 0.00 0.00 175.17 178.52 2dm1 n GLN 42 N 2.42 -0.16 0.03 8.23 -0.06 -1.26 -0.79 117.38 125.78 2dm1 n GLN 42 Ca -0.16 1.26 -0.12 0.00 -2.00 0.00 0.00 57.00 55.99 2dm1 n GLN 42 Cb 0.54 -1.88 -0.09 0.00 -4.06 0.00 0.00 30.24 24.75 2dm1 n GLN 42 CO 0.00 0.00 0.00 0.78 -0.20 0.00 0.00 177.06 177.64 2dm1 h GLY 43 N 0.00 -0.13 -3.90 1.69 0.00 -1.96 -3.46 103.07 95.32 2dm1 h GLY 43 Ca 0.31 0.05 -0.59 0.00 0.00 0.00 0.00 47.33 47.10 2dm1 h GLY 43 CO -0.82 -0.05 0.05 0.79 0.00 0.00 0.00 176.54 176.51 2dm1 n TRP 44 N -4.89 0.87 -4.37 5.60 7.02 0.03 -4.50 117.44 117.19 2dm1 n TRP 44 Ca -0.08 0.59 -0.19 0.00 -1.02 0.00 0.00 57.50 56.80 2dm1 n TRP 44 Cb 0.27 -2.18 -0.10 0.00 -2.42 0.00 0.00 31.31 26.87 2dm1 n TRP 44 CO 0.00 0.00 0.00 -1.58 -2.02 0.00 0.00 177.69 174.09 2dm1 s TRP 45 N -1.28 1.71 -0.23 -5.99 0.51 -1.11 -4.41 118.94 108.15 2dm1 s TRP 45 Ca 0.63 -1.08 0.02 0.00 -2.12 0.00 0.00 56.10 53.54 2dm1 s TRP 45 Cb -0.59 -1.06 0.04 0.00 -0.81 0.00 0.00 33.47 31.06 2dm1 s TRP 45 CO 0.57 -0.19 -0.14 0.21 -0.51 0.00 0.00 176.95 176.90 2dm1 s LYS 46 N -3.97 2.55 0.00 4.98 2.20 -0.95 -2.11 119.74 122.44 2dm1 s LYS 46 Ca 0.37 -1.14 0.00 0.00 -0.36 0.00 0.00 55.97 54.84 2dm1 s LYS 46 Cb 0.08 -2.78 0.00 0.00 -1.51 0.00 0.00 37.83 33.62 2dm1 s LYS 46 CO 0.14 -0.43 0.00 0.41 -0.36 0.00 0.00 175.35 175.11 2dm1 n GLY 47 N 4.51 6.20 3.56 5.54 0.00 -1.23 -0.70 105.19 123.07 2dm1 n GLY 47 Ca -0.17 -1.76 -0.13 0.00 0.00 0.00 0.00 46.02 43.96 2dm1 n GLY 47 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2dm1 s GLU 48 N 1.48 0.74 -0.29 1.61 2.12 -1.24 -3.85 118.70 119.27 2dm1 s GLU 48 Ca 0.00 0.93 -0.20 0.00 0.36 0.00 0.00 54.97 56.06 2dm1 s GLU 48 Cb 0.00 0.34 0.14 0.00 0.26 0.00 0.00 34.13 34.87 2dm1 s GLU 48 CO 0.00 -0.10 1.03 -0.08 -0.54 0.00 0.00 175.26 175.57 2dm1 s THR 49 N 0.49 0.00 -1.10 -1.70 -1.32 -0.84 -3.20 115.64 107.97 2dm1 s THR 49 Ca -0.01 0.00 -0.05 0.00 -1.21 0.00 0.00 61.69 60.42 2dm1 s THR 49 Cb -0.05 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 69.95 2dm1 s THR 49 CO -0.01 0.00 0.66 -3.20 -2.21 0.00 0.00 174.62 169.86 2dm1 n ASN 50 N 3.03 -5.15 -2.74 8.08 2.85 -1.26 -2.50 115.26 117.57 2dm1 n ASN 50 Ca -0.16 -0.30 -0.20 0.00 -0.11 0.00 0.00 54.58 53.80 2dm1 n ASN 50 Cb 0.57 -3.88 0.03 0.00 1.24 0.00 0.00 39.78 37.74 2dm1 n ASN 50 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2dm1 n GLY 51 N -1.48 -0.42 2.93 8.20 0.00 -1.26 -5.00 105.19 108.16 2dm1 n GLY 51 Ca -0.04 0.05 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 2dm1 n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dm1 s ARG 52 N -5.57 0.77 -0.12 1.61 0.52 -1.04 -5.14 118.95 109.98 2dm1 s ARG 52 Ca 0.26 -0.16 0.01 0.00 -0.52 0.00 0.00 55.73 55.32 2dm1 s ARG 52 Cb -0.12 -0.76 0.02 0.00 0.52 0.00 0.00 34.95 34.62 2dm1 s ARG 52 CO 0.32 -0.00 -0.14 0.42 0.02 0.00 0.00 175.30 175.93 2dm1 s ILE 53 N 0.56 1.44 0.05 1.52 1.09 -1.26 -1.98 121.20 122.62 2dm1 s ILE 53 Ca -0.07 -0.58 -0.09 0.00 -1.10 0.00 0.00 60.65 58.80 2dm1 s ILE 53 Cb -0.11 -1.35 0.03 0.00 -1.06 0.00 0.00 42.46 39.97 2dm1 s ILE 53 CO 0.00 0.43 0.43 0.61 -0.10 0.00 0.00 174.94 176.31 2dm1 n GLY 54 N 4.51 0.87 3.63 6.18 0.00 -1.25 -4.89 105.19 114.24 2dm1 n GLY 54 Ca -0.17 -0.98 -0.41 0.00 0.00 0.00 0.00 46.02 44.46 2dm1 n GLY 54 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2dm1 s TRP 55 N -3.97 3.28 0.05 1.61 0.52 -0.63 -3.54 118.94 116.27 2dm1 s TRP 55 Ca 0.10 0.81 0.08 0.00 0.02 0.00 0.00 56.10 57.11 2dm1 s TRP 55 Cb -0.01 -2.84 -0.03 0.00 -1.15 0.00 0.00 33.47 29.45 2dm1 s TRP 55 CO 0.01 -0.32 -0.24 -0.59 0.02 0.00 0.00 176.95 175.84 2dm1 s PHE 56 N 2.49 2.06 0.22 -1.98 -0.71 -0.90 -1.20 117.98 117.97 2dm1 s PHE 56 Ca 0.26 -0.39 -0.30 0.00 -1.04 0.00 0.00 56.93 55.46 2dm1 s PHE 56 Cb -0.15 -1.23 -0.09 0.00 -1.21 0.00 0.00 43.02 40.34 2dm1 s PHE 56 CO 0.08 0.12 1.29 -1.25 -1.34 0.00 0.00 175.22 174.12 2dm1 s PRO 57 N -1.27 4.41 0.14 1.99 0.04 -1.26 -2.75 135.00 136.30 2dm1 s PRO 57 Ca 0.10 2.05 0.26 0.00 0.04 0.00 0.00 61.00 63.44 2dm1 s PRO 57 Cb -0.09 -3.18 0.95 0.00 0.04 0.00 0.00 34.50 32.21 2dm1 s PRO 57 CO 0.02 -0.20 1.80 -1.13 0.04 0.00 0.00 177.00 177.53 2dm1 n SER 58 N 2.30 0.52 0.11 6.66 3.41 -1.26 -3.16 113.62 122.20 2dm1 n SER 58 Ca 0.05 0.56 -0.03 0.00 -0.26 0.00 0.00 58.87 59.19 2dm1 n SER 58 Cb 0.43 -0.69 0.07 0.00 -0.26 0.00 0.00 64.21 63.75 2dm1 n SER 58 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 2dm1 h THR 59 N 0.00 1.45 -0.01 6.66 1.35 -1.93 -2.99 112.91 117.45 2dm1 h THR 59 Ca 0.00 -2.57 0.00 0.00 -0.55 0.00 0.00 66.41 63.29 2dm1 h THR 59 Cb 0.61 2.41 0.00 0.00 -1.73 0.00 0.00 68.15 69.44 2dm1 h THR 59 CO 0.00 0.72 -0.06 -1.22 -0.25 0.00 0.00 175.52 174.71 2dm1 n TYR 60 N -3.56 0.00 -4.33 4.73 4.02 -1.19 -4.86 117.16 111.96 2dm1 n TYR 60 Ca -0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.71 2dm1 n TYR 60 Cb 0.74 -0.07 -0.10 0.00 -0.02 0.00 0.00 39.34 39.88 2dm1 n TYR 60 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 2dm1 s VAL 61 N -2.20 1.39 -0.10 -0.72 -7.23 -1.13 -1.54 120.40 108.87 2dm1 s VAL 61 Ca 0.36 -2.11 0.02 0.00 -1.81 0.00 0.00 61.98 58.44 2dm1 s VAL 61 Cb 0.21 -2.14 0.02 0.00 0.56 0.00 0.00 36.38 35.02 2dm1 s VAL 61 CO 0.41 -0.51 -0.14 -0.70 -0.31 0.00 0.00 175.10 173.84 2dm1 s GLU 62 N -3.74 2.04 -0.09 4.82 2.56 -0.46 -4.88 118.70 118.94 2dm1 s GLU 62 Ca 0.24 -0.50 -0.29 0.00 0.00 0.00 0.00 54.97 54.42 2dm1 s GLU 62 Cb 0.03 -1.76 -0.05 0.00 2.00 0.00 0.00 34.13 34.35 2dm1 s GLU 62 CO 0.07 -0.07 1.69 -1.21 -0.56 0.00 0.00 175.26 175.18 2dm1 s GLU 63 N 1.01 4.04 0.59 4.30 2.02 -1.26 -1.63 118.70 127.77 2dm1 s GLU 63 Ca -0.07 2.09 -0.17 0.00 0.02 0.00 0.00 54.97 56.83 2dm1 s GLU 63 Cb -0.15 -4.03 -0.04 0.00 0.10 0.00 0.00 34.13 30.02 2dm1 s GLU 63 CO -0.01 -1.02 1.11 -1.21 0.02 0.00 0.00 175.26 174.15 2dm1 s GLU 64 N 4.33 3.15 -0.44 1.61 0.41 -0.99 -4.99 118.70 121.78 2dm1 s GLU 64 Ca 0.75 1.49 0.10 0.00 -0.41 0.00 0.00 54.97 56.90 2dm1 s GLU 64 Cb -0.32 -1.99 0.33 0.00 -1.78 0.00 0.00 34.13 30.37 2dm1 s GLU 64 CO 0.30 -0.99 0.76 0.41 -0.49 0.00 0.00 175.26 175.25 2dm1 n GLY 65 N -0.19 4.07 0.46 -1.39 0.00 -1.26 -4.84 105.19 102.04 2dm1 n GLY 65 Ca 0.11 -2.00 0.36 0.00 0.00 0.00 0.00 46.02 44.49 2dm1 n GLY 65 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2dm1 n ILE 66 N 0.31 -0.08 -3.83 -0.61 3.06 -1.26 -4.23 119.36 112.73 2dm1 n ILE 66 Ca 0.26 1.21 -0.12 0.00 -2.50 0.00 0.00 62.75 61.61 2dm1 n ILE 66 Cb 0.57 -2.01 -0.10 0.00 0.54 0.00 0.00 39.64 38.63 2dm1 n ILE 66 CO 0.00 0.00 0.00 -1.58 -2.50 0.00 0.00 176.55 172.47 2dm1 s GLN 67 N -4.57 0.43 -0.11 9.51 2.00 -1.26 -5.06 119.66 120.60 2dm1 s GLN 67 Ca -0.04 -0.11 0.03 0.00 -2.00 0.00 0.00 55.36 53.24 2dm1 s GLN 67 Cb 0.21 0.19 -0.08 0.00 0.80 0.00 0.00 33.01 34.13 2dm1 s GLN 67 CO 0.64 -0.10 -0.06 0.45 -0.50 0.00 0.00 175.29 175.73 2dm1 n SER 68 N 1.98 3.03 0.00 6.67 2.88 -1.26 -5.08 113.62 121.84 2dm1 n SER 68 Ca -0.19 -0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.31 2dm1 n SER 68 Cb 0.57 0.09 0.00 0.00 -0.75 0.00 0.00 64.21 64.11 2dm1 n SER 68 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dm1 n GLY 69 N 2.81 6.91 2.42 0.46 0.00 -1.26 -5.16 105.19 111.37 2dm1 n GLY 69 Ca -0.18 -1.86 -0.21 0.00 0.00 0.00 0.00 46.02 43.77 2dm1 n GLY 69 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dm1 n PRO 70 N 0.00 -2.50 -3.48 1.61 -0.04 -1.26 -5.10 135.00 124.23 2dm1 n PRO 70 Ca 0.00 -1.21 -0.11 0.00 -0.04 0.00 0.00 63.50 62.14 2dm1 n PRO 70 Cb 0.00 -1.13 -0.02 0.00 -0.04 0.00 0.00 33.50 32.31 2dm1 n PRO 70 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dm1 s SER 71 N -3.54 -0.52 -0.20 3.54 0.15 -1.26 -5.14 113.70 106.74 2dm1 s SER 71 Ca 0.49 -0.09 -0.28 0.00 0.70 0.00 0.00 55.95 56.78 2dm1 s SER 71 Cb -0.05 0.61 0.10 0.00 -1.71 0.00 0.00 66.02 64.97 2dm1 s SER 71 CO 0.38 -1.01 0.88 -0.94 1.20 0.00 0.00 173.24 173.74 2dm1 s SER 72 N -2.77 -0.54 0.00 5.45 1.04 -1.26 -5.30 113.70 110.31 2dm1 s SER 72 Ca 0.02 0.84 0.00 0.00 0.48 0.00 0.00 55.95 57.30 2dm1 s SER 72 Cb -0.02 0.79 0.00 0.00 0.10 0.00 0.00 66.02 66.89 2dm1 s SER 72 CO -0.10 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 174.40