#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dm1 h SER 2 N 0.00 0.00 -2.87 1.61 0.02 -2.05 -3.45 113.55 106.82 2dm1 h SER 2 Ca 0.00 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.39 2dm1 h SER 2 Cb 0.00 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 2dm1 h SER 2 CO 0.00 0.44 1.00 -0.44 -1.14 0.00 0.00 176.83 176.70 2dm1 s SER 3 N -5.17 6.71 0.00 3.07 0.01 -1.26 -4.78 113.70 112.28 2dm1 s SER 3 Ca -0.01 1.68 0.00 0.00 1.31 0.00 0.00 55.95 58.92 2dm1 s SER 3 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.70 2dm1 s SER 3 CO 0.02 -0.97 0.00 0.61 0.41 0.00 0.00 173.24 173.31 2dm1 n GLY 4 N 4.09 1.45 3.32 3.44 0.00 -1.26 -5.04 105.19 111.20 2dm1 n GLY 4 Ca 0.16 -1.73 -0.32 0.00 0.00 0.00 0.00 46.02 44.13 2dm1 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dm1 s SER 5 N -0.51 3.58 -0.39 1.61 0.15 -1.26 -4.77 113.70 112.10 2dm1 s SER 5 Ca 0.00 -0.41 -0.14 0.00 0.70 0.00 0.00 55.95 56.09 2dm1 s SER 5 Cb 0.00 -1.32 0.01 0.00 -1.71 0.00 0.00 66.02 63.00 2dm1 s SER 5 CO 0.00 0.20 0.29 -0.44 1.20 0.00 0.00 173.24 174.49 2dm1 s SER 6 N 0.12 6.10 0.00 5.45 0.01 -1.26 -5.00 113.70 119.12 2dm1 s SER 6 Ca -0.09 -0.76 0.00 0.00 1.31 0.00 0.00 55.95 56.41 2dm1 s SER 6 Cb -0.15 -2.16 0.00 0.00 0.21 0.00 0.00 66.02 63.92 2dm1 s SER 6 CO 0.06 -0.39 0.00 0.61 0.41 0.00 0.00 173.24 173.92 2dm1 n GLY 7 N 5.14 0.66 2.70 3.44 0.00 -1.26 -5.06 105.19 110.80 2dm1 n GLY 7 Ca -0.11 0.63 -0.07 0.00 0.00 0.00 0.00 46.02 46.47 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 0.00 0.96 3.06 -0.02 0.00 -1.26 -5.13 105.19 102.80 2dm1 n GLY 8 Ca 0.00 -0.09 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 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 0.18 0.88 0.24 2.61 -4.23 -1.26 -2.60 115.64 111.45 2dm1 s THR 9 Ca 0.19 -0.53 0.10 0.00 -1.18 0.00 0.00 61.69 60.28 2dm1 s THR 9 Cb 0.34 -0.75 -0.05 0.00 1.34 0.00 0.00 72.50 73.39 2dm1 s THR 9 CO -0.08 0.21 -0.18 0.00 -0.54 0.00 0.00 174.62 174.03 2dm1 s ALA 10 N -0.33 2.44 -0.08 3.99 0.00 -0.25 -3.68 121.76 123.85 2dm1 s ALA 10 Ca 0.04 -1.77 0.04 0.00 0.00 0.00 0.00 51.96 50.27 2dm1 s ALA 10 Cb -0.05 -0.20 -0.00 0.00 0.00 0.00 0.00 23.12 22.87 2dm1 s ALA 10 CO -0.00 0.21 -0.22 0.54 0.00 0.00 0.00 175.76 176.29 2dm1 s VAL 11 N -2.60 1.90 -0.36 0.00 0.11 -0.77 -0.64 120.40 118.04 2dm1 s VAL 11 Ca 0.26 -0.94 -0.29 0.00 -2.93 0.00 0.00 61.98 58.08 2dm1 s VAL 11 Cb -0.04 -1.64 -0.01 0.00 -1.53 0.00 0.00 36.38 33.16 2dm1 s VAL 11 CO 0.11 0.53 1.63 0.00 -3.33 0.00 0.00 175.10 174.04 2dm1 s ALA 12 N 0.26 2.97 -1.28 1.54 0.00 -0.70 -1.19 121.76 123.37 2dm1 s ALA 12 Ca -0.14 0.10 0.29 0.00 0.00 0.00 0.00 51.96 52.20 2dm1 s ALA 12 Cb -0.16 -3.98 1.19 0.00 0.00 0.00 0.00 23.12 20.17 2dm1 s ALA 12 CO 0.07 -2.49 1.86 0.54 0.00 0.00 0.00 175.76 175.74 2dm1 n ARG 13 N 8.25 0.29 -3.69 0.00 5.12 0.03 -2.19 116.66 124.46 2dm1 n ARG 13 Ca 0.20 -0.07 -0.15 0.00 -1.93 0.00 0.00 57.85 55.91 2dm1 n ARG 13 Cb 0.47 -1.50 -0.08 0.00 -1.16 0.00 0.00 32.46 30.19 2dm1 n ARG 13 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 2dm1 s TYR 14 N -2.76 -0.34 0.17 -1.55 1.51 -1.20 -4.94 117.35 108.24 2dm1 s TYR 14 Ca 0.21 0.60 -0.30 0.00 -1.01 0.00 0.00 57.07 56.57 2dm1 s TYR 14 Cb 0.19 0.19 -0.08 0.00 -0.11 0.00 0.00 41.96 42.15 2dm1 s TYR 14 CO 0.52 -0.43 1.18 0.54 -1.11 0.00 0.00 175.55 176.26 2dm1 s ASN 15 N -1.11 7.11 0.16 2.29 2.20 -1.26 -4.48 114.94 119.86 2dm1 s ASN 15 Ca -0.11 2.19 0.10 0.00 -0.94 0.00 0.00 52.86 54.09 2dm1 s ASN 15 Cb -0.04 -2.60 -0.04 0.00 -2.00 0.00 0.00 41.25 36.57 2dm1 s ASN 15 CO 0.05 -0.36 -0.21 0.12 -2.94 0.00 0.00 177.10 173.76 2dm1 s PHE 16 N 0.05 2.02 -0.32 1.54 5.36 0.61 -4.95 117.98 122.29 2dm1 s PHE 16 Ca 0.53 -0.42 0.02 0.00 -0.96 0.00 0.00 56.93 56.11 2dm1 s PHE 16 Cb -0.32 -1.03 0.08 0.00 -0.34 0.00 0.00 43.02 41.42 2dm1 s PHE 16 CO 0.35 0.37 0.02 0.00 -1.46 0.00 0.00 175.22 174.50 2dm1 s ALA 17 N -1.69 2.82 -0.43 11.12 0.00 -1.26 -2.79 121.76 129.53 2dm1 s ALA 17 Ca 0.16 -2.24 -0.29 0.00 0.00 0.00 0.00 51.96 49.59 2dm1 s ALA 17 Cb -0.08 -1.91 -0.09 0.00 0.00 0.00 0.00 23.12 21.05 2dm1 s ALA 17 CO 0.07 -1.52 2.34 0.00 0.00 0.00 0.00 175.76 176.66 2dm1 n ALA 18 N 4.38 1.09 -0.34 0.00 0.00 -1.26 -4.79 120.51 119.58 2dm1 n ALA 18 Ca -0.04 -0.49 0.26 0.00 0.00 0.00 0.00 53.44 53.18 2dm1 n ALA 18 Cb 0.42 -2.89 0.51 0.00 0.00 0.00 0.00 19.45 17.49 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 16.02 0.25 -3.60 0.00 2.47 -1.96 -3.43 114.38 124.13 2dm1 h ARG 19 Ca -0.28 -0.01 -0.05 0.00 -1.26 0.00 0.00 59.98 58.38 2dm1 h ARG 19 Cb 1.28 -0.06 -0.08 0.00 -1.65 0.00 0.00 29.97 29.46 2dm1 h ARG 19 CO 1.09 0.16 -0.08 0.34 0.56 0.00 0.00 179.97 182.05 2dm1 s ASP 20 N -4.82 -0.06 0.22 7.04 2.15 -1.26 -5.04 116.67 114.91 2dm1 s ASP 20 Ca -0.10 -0.93 -0.18 0.00 0.43 0.00 0.00 52.55 51.78 2dm1 s ASP 20 Cb 0.31 0.61 0.22 0.00 -0.30 0.00 0.00 42.92 43.76 2dm1 s ASP 20 CO 0.79 -1.18 1.51 0.80 -0.17 0.00 0.00 175.17 176.92 2dm1 n MET 21 N -0.40 -0.24 -0.39 4.34 0.00 -1.26 -0.66 117.12 118.50 2dm1 n MET 21 Ca -0.02 1.50 -0.08 0.00 0.00 0.00 0.00 57.70 59.10 2dm1 n MET 21 Cb 0.62 -2.23 -0.07 0.00 0.00 0.00 0.00 33.22 31.54 2dm1 n MET 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2dm1 n ARG 22 N -5.43 -0.38 -0.73 2.12 1.74 -1.26 -4.48 116.66 108.25 2dm1 n ARG 22 Ca 0.10 1.44 -0.29 0.00 -0.77 0.00 0.00 57.85 58.33 2dm1 n ARG 22 Cb 0.39 -2.13 0.22 0.00 -1.02 0.00 0.00 32.46 29.91 2dm1 n ARG 22 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2dm1 s GLU 23 N -5.57 -0.20 -0.14 5.56 8.01 0.16 -0.28 118.70 126.24 2dm1 s GLU 23 Ca -0.12 0.91 -0.00 0.00 0.01 0.00 0.00 54.97 55.77 2dm1 s GLU 23 Cb 0.12 -1.63 0.03 0.00 -4.31 0.00 0.00 34.13 28.34 2dm1 s GLU 23 CO 0.61 -3.26 -0.10 -1.17 0.01 0.00 0.00 175.26 171.35 2dm1 s LEU 24 N -6.91 1.56 0.45 1.80 2.96 0.62 -4.22 118.68 114.94 2dm1 s LEU 24 Ca 0.67 -0.49 -0.23 0.00 -0.22 0.00 0.00 54.13 53.85 2dm1 s LEU 24 Cb -0.23 -1.03 -0.08 0.00 0.50 0.00 0.00 46.19 45.36 2dm1 s LEU 24 CO 0.62 -0.11 1.16 -0.94 -1.32 0.00 0.00 176.35 175.76 2dm1 s SER 25 N 1.58 6.25 0.02 3.68 1.04 -1.26 -4.57 113.70 120.44 2dm1 s SER 25 Ca 0.04 2.30 0.06 0.00 0.48 0.00 0.00 55.95 58.83 2dm1 s SER 25 Cb -0.13 -2.60 -0.02 0.00 0.10 0.00 0.00 66.02 63.36 2dm1 s SER 25 CO -0.09 -0.86 -0.17 -0.76 0.98 0.00 0.00 173.24 172.34 2dm1 s LEU 26 N -2.92 2.13 -0.07 2.42 1.43 -1.12 -4.95 118.68 115.60 2dm1 s LEU 26 Ca 0.62 -0.43 0.05 0.00 -1.03 0.00 0.00 54.13 53.35 2dm1 s LEU 26 Cb -0.29 -0.81 -0.01 0.00 0.03 0.00 0.00 46.19 45.11 2dm1 s LEU 26 CO 0.35 0.13 -0.24 -0.60 0.23 0.00 0.00 176.35 176.22 2dm1 s ARG 27 N -0.91 2.68 -0.80 1.70 3.52 -1.26 -0.28 118.95 123.60 2dm1 s ARG 27 Ca 0.05 -0.88 -0.36 0.00 -0.13 0.00 0.00 55.73 54.41 2dm1 s ARG 27 Cb -0.08 -2.22 -0.21 0.00 -1.56 0.00 0.00 34.95 30.89 2dm1 s ARG 27 CO 0.01 0.34 2.46 0.39 -0.81 0.00 0.00 175.30 177.69 2dm1 n GLU 28 N 3.06 0.00 0.00 5.12 1.02 -1.26 0.14 120.64 128.72 2dm1 n GLU 28 Ca -0.18 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 2dm1 n GLU 28 Cb 0.52 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 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 6.81 1.11 3.63 0.62 0.00 -0.93 -5.05 105.19 111.37 2dm1 n GLY 29 Ca 0.61 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.94 6.69 -0.21 1.61 1.11 0.38 -4.86 116.67 119.44 2dm1 s ASP 30 Ca 0.00 0.80 -0.23 0.00 0.18 0.00 0.00 52.55 53.29 2dm1 s ASP 30 Cb 0.00 -2.39 -0.01 0.00 1.07 0.00 0.00 42.92 41.58 2dm1 s ASP 30 CO 0.00 -0.50 0.76 -0.69 1.18 0.00 0.00 175.17 175.92 2dm1 s VAL 31 N 2.77 4.91 -0.04 -1.27 1.01 -1.26 -1.71 120.40 124.80 2dm1 s VAL 31 Ca 0.31 1.45 0.00 0.00 0.00 0.00 0.00 61.98 63.74 2dm1 s VAL 31 Cb -0.15 -4.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 2dm1 s VAL 31 CO 0.09 0.01 -0.01 -0.69 0.00 0.00 0.00 175.10 174.50 2dm1 s VAL 32 N 2.40 4.14 -0.49 2.92 1.01 0.19 -4.55 120.40 126.01 2dm1 s VAL 32 Ca 0.33 -0.45 -0.14 0.00 0.00 0.00 0.00 61.98 61.72 2dm1 s VAL 32 Cb -0.16 -2.78 0.10 0.00 0.00 0.00 0.00 36.38 33.54 2dm1 s VAL 32 CO 0.10 0.50 0.42 -0.13 0.00 0.00 0.00 175.10 175.98 2dm1 s ARG 33 N -1.19 2.90 -0.36 2.72 0.52 -1.18 -1.09 118.95 121.27 2dm1 s ARG 33 Ca 0.16 -1.53 -0.27 0.00 -0.52 0.00 0.00 55.73 53.56 2dm1 s ARG 33 Cb -0.11 -4.14 -0.05 0.00 0.52 0.00 0.00 34.95 31.17 2dm1 s ARG 33 CO 0.06 -1.15 2.15 0.42 0.02 0.00 0.00 175.30 176.80 2dm1 s ILE 34 N 1.58 3.14 -0.20 1.52 1.01 -1.07 -3.66 121.20 123.52 2dm1 s ILE 34 Ca 0.04 0.13 -0.17 0.00 0.00 0.00 0.00 60.65 60.64 2dm1 s ILE 34 Cb -0.26 -3.25 -0.13 0.00 0.01 0.00 0.00 42.46 38.83 2dm1 s ILE 34 CO 0.04 -0.19 -0.03 -1.22 0.00 0.00 0.00 174.94 173.54 2dm1 n TYR 35 N 12.77 0.74 -4.60 3.97 4.01 -0.45 -4.92 117.16 128.67 2dm1 n TYR 35 Ca 0.29 0.32 -0.30 0.00 -0.16 0.00 0.00 57.90 58.05 2dm1 n TYR 35 Cb 0.49 -0.96 -0.13 0.00 -0.31 0.00 0.00 39.34 38.44 2dm1 n TYR 35 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 2dm1 s SER 36 N -6.63 3.73 -0.17 7.72 0.01 -1.14 -5.02 113.70 112.19 2dm1 s SER 36 Ca -0.27 -0.48 -0.04 0.00 1.31 0.00 0.00 55.95 56.47 2dm1 s SER 36 Cb 0.06 -0.55 -0.09 0.00 0.21 0.00 0.00 66.02 65.66 2dm1 s SER 36 CO 0.47 0.24 -0.18 0.54 0.41 0.00 0.00 173.24 174.71 2dm1 n ARG 37 N 1.40 0.39 -2.28 12.44 1.74 -1.26 -2.98 116.66 126.11 2dm1 n ARG 37 Ca -0.16 0.13 -0.36 0.00 -0.77 0.00 0.00 57.85 56.68 2dm1 n ARG 37 Cb 0.52 -1.23 -0.01 0.00 -1.02 0.00 0.00 32.46 30.73 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 -2.32 3.18 0.00 0.55 -4.36 -1.26 -4.79 121.20 112.19 2dm1 s ILE 38 Ca -0.23 0.82 0.00 0.00 -0.26 0.00 0.00 60.65 60.98 2dm1 s ILE 38 Cb 0.08 -3.39 0.00 0.00 1.25 0.00 0.00 42.46 40.40 2dm1 s ILE 38 CO 0.34 -0.07 0.00 0.61 0.24 0.00 0.00 174.94 176.06 2dm1 n GLY 39 N 0.31 0.32 0.00 6.27 0.00 -1.26 -4.96 105.19 105.87 2dm1 n GLY 39 Ca 0.09 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.64 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 0.88 0.24 2.31 -0.02 0.00 -1.26 -4.66 105.19 102.68 2dm1 n GLY 40 Ca 0.00 -1.57 -0.26 0.00 0.00 0.00 0.00 46.02 44.19 2dm1 n GLY 40 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2dm1 n ASP 41 N 0.00 4.83 -2.12 1.61 -0.08 -1.26 -4.89 116.55 114.63 2dm1 n ASP 41 Ca 0.00 -3.73 -0.18 0.00 -1.51 0.00 0.00 54.79 49.36 2dm1 n ASP 41 Cb 0.00 -0.42 -0.03 0.00 2.34 0.00 0.00 41.12 43.01 2dm1 n ASP 41 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 2dm1 n GLN 42 N -0.57 -1.70 0.00 -0.67 -0.06 -1.26 -4.62 117.38 108.51 2dm1 n GLN 42 Ca 0.41 0.96 0.00 0.00 -2.00 0.00 0.00 57.00 56.37 2dm1 n GLN 42 Cb 0.77 -5.51 0.00 0.00 -4.06 0.00 0.00 30.24 21.45 2dm1 n GLN 42 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2dm1 n GLY 43 N -0.76 0.00 3.08 1.69 0.00 -1.26 -5.15 105.19 102.80 2dm1 n GLY 43 Ca -0.21 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.70 2dm1 n GLY 43 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2dm1 s TRP 44 N 0.00 0.64 0.14 1.61 0.52 -1.26 -2.87 118.94 117.72 2dm1 s TRP 44 Ca 0.00 -0.68 0.02 0.00 0.02 0.00 0.00 56.10 55.46 2dm1 s TRP 44 Cb 0.00 -0.40 -0.04 0.00 -1.15 0.00 0.00 33.47 31.88 2dm1 s TRP 44 CO 0.00 -0.15 -0.03 -1.58 0.02 0.00 0.00 176.95 175.20 2dm1 s TRP 45 N -2.27 1.11 -0.29 -1.98 0.51 -0.69 -4.71 118.94 110.61 2dm1 s TRP 45 Ca -0.03 -0.95 -0.05 0.00 -2.12 0.00 0.00 56.10 52.95 2dm1 s TRP 45 Cb -0.04 -0.63 0.03 0.00 -0.81 0.00 0.00 33.47 32.02 2dm1 s TRP 45 CO -0.02 -0.15 0.04 0.21 -0.51 0.00 0.00 176.95 176.51 2dm1 s LYS 46 N -3.87 2.82 0.00 4.98 2.20 -1.16 -2.13 119.74 122.59 2dm1 s LYS 46 Ca 0.19 -1.02 0.00 0.00 -0.36 0.00 0.00 55.97 54.78 2dm1 s LYS 46 Cb 0.05 -3.27 0.00 0.00 -1.51 0.00 0.00 37.83 33.11 2dm1 s LYS 46 CO 0.01 -0.51 0.00 0.41 -0.36 0.00 0.00 175.35 174.90 2dm1 n GLY 47 N 4.77 5.89 3.51 5.54 0.00 -1.24 -1.35 105.19 122.32 2dm1 n GLY 47 Ca -0.14 -1.56 -0.14 0.00 0.00 0.00 0.00 46.02 44.17 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 1.30 0.76 -0.14 1.61 2.12 -1.24 -3.73 118.70 119.38 2dm1 s GLU 48 Ca 0.00 0.76 -0.30 0.00 0.36 0.00 0.00 54.97 55.79 2dm1 s GLU 48 Cb 0.00 0.37 0.11 0.00 0.26 0.00 0.00 34.13 34.87 2dm1 s GLU 48 CO 0.00 -0.12 0.91 -0.08 -0.54 0.00 0.00 175.26 175.43 2dm1 s THR 49 N 0.10 0.00 -0.76 -1.70 -1.32 -0.57 -3.10 115.64 108.28 2dm1 s THR 49 Ca -0.02 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.46 2dm1 s THR 49 Cb -0.04 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.95 2dm1 s THR 49 CO 0.02 0.00 0.00 -0.46 -2.21 0.00 0.00 174.62 171.97 2dm1 n ASN 50 N 0.95 -2.87 -0.73 8.08 0.23 -1.26 0.86 115.26 120.53 2dm1 n ASN 50 Ca -0.13 0.27 -0.06 0.00 -0.53 0.00 0.00 54.58 54.13 2dm1 n ASN 50 Cb 0.57 -2.55 -0.00 0.00 -2.08 0.00 0.00 39.78 35.73 2dm1 n ASN 50 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2dm1 n GLY 51 N -0.61 0.13 3.00 4.83 0.00 -1.26 -5.04 105.19 106.25 2dm1 n GLY 51 Ca -0.10 -0.62 -0.26 0.00 0.00 0.00 0.00 46.02 45.04 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 -4.35 1.74 -0.04 1.61 0.52 0.25 -5.13 118.95 113.54 2dm1 s ARG 52 Ca 0.01 -0.40 0.05 0.00 -0.52 0.00 0.00 55.73 54.87 2dm1 s ARG 52 Cb -0.00 -1.52 -0.01 0.00 0.52 0.00 0.00 34.95 33.94 2dm1 s ARG 52 CO 0.01 -0.06 -0.21 0.42 0.02 0.00 0.00 175.30 175.49 2dm1 s ILE 53 N 0.96 1.68 -1.69 1.52 1.01 -1.26 -1.52 121.20 121.90 2dm1 s ILE 53 Ca -0.09 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.69 2dm1 s ILE 53 Cb -0.15 -1.42 0.00 0.00 0.01 0.00 0.00 42.46 40.90 2dm1 s ILE 53 CO 0.00 0.48 0.00 0.61 0.00 0.00 0.00 174.94 176.03 2dm1 n GLY 54 N 2.95 -0.56 3.57 6.18 0.00 -1.24 -4.84 105.19 111.24 2dm1 n GLY 54 Ca -0.17 -0.72 -0.38 0.00 0.00 0.00 0.00 46.02 44.75 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 -3.15 3.21 0.03 1.61 0.52 0.61 -3.63 118.94 118.14 2dm1 s TRP 55 Ca 0.00 0.03 0.06 0.00 0.02 0.00 0.00 56.10 56.21 2dm1 s TRP 55 Cb 0.00 -2.37 -0.02 0.00 -1.15 0.00 0.00 33.47 29.92 2dm1 s TRP 55 CO 0.00 -0.20 -0.17 -0.59 0.02 0.00 0.00 176.95 176.01 2dm1 s PHE 56 N 1.74 1.51 0.40 -1.98 -0.71 -0.91 -0.28 117.98 117.75 2dm1 s PHE 56 Ca 0.07 -0.35 -0.25 0.00 -1.04 0.00 0.00 56.93 55.36 2dm1 s PHE 56 Cb -0.16 -0.91 -0.08 0.00 -1.21 0.00 0.00 43.02 40.66 2dm1 s PHE 56 CO 0.10 0.05 1.19 -1.25 -1.34 0.00 0.00 175.22 173.97 2dm1 s PRO 57 N -1.02 4.06 0.29 1.99 0.04 -1.26 -1.71 135.00 137.38 2dm1 s PRO 57 Ca 0.05 1.89 0.20 0.00 0.04 0.00 0.00 61.00 63.18 2dm1 s PRO 57 Cb -0.08 -2.71 0.12 0.00 0.04 0.00 0.00 34.50 31.87 2dm1 s PRO 57 CO 0.01 -0.33 1.33 0.66 0.04 0.00 0.00 177.00 178.71 2dm1 h SER 58 N 2.68 0.00 0.66 6.66 4.64 -1.86 -3.27 113.55 123.06 2dm1 h SER 58 Ca -0.49 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.80 2dm1 h SER 58 Cb 1.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2dm1 h SER 58 CO 0.63 0.22 -0.16 0.00 -0.87 0.00 0.00 176.83 176.65 2dm1 h THR 59 N 0.00 0.50 0.00 2.95 1.03 -1.93 -2.26 112.91 113.20 2dm1 h THR 59 Ca -0.02 -0.79 0.00 0.00 -0.01 0.00 0.00 66.41 65.58 2dm1 h THR 59 Cb 1.19 1.54 0.00 0.00 -1.07 0.00 0.00 68.15 69.81 2dm1 h THR 59 CO 0.02 0.16 -0.30 1.88 -0.01 0.00 0.00 175.52 177.27 2dm1 h TYR 60 N 0.00 0.00 -1.92 0.00 -1.99 -1.95 -3.46 116.97 107.65 2dm1 h TYR 60 Ca -0.00 0.00 -0.60 0.00 2.00 0.00 0.00 58.73 60.13 2dm1 h TYR 60 Cb 0.53 0.00 -0.12 0.00 2.00 0.00 0.00 36.73 39.14 2dm1 h TYR 60 CO 0.00 0.00 -0.64 0.14 -0.00 0.00 0.00 178.16 177.66 2dm1 s VAL 61 N -3.23 2.45 -0.04 -2.88 -7.23 -0.85 -0.79 120.40 107.82 2dm1 s VAL 61 Ca 0.06 -2.08 0.03 0.00 -1.81 0.00 0.00 61.98 58.18 2dm1 s VAL 61 Cb 0.08 -2.73 0.00 0.00 0.56 0.00 0.00 36.38 34.29 2dm1 s VAL 61 CO 0.69 -0.20 -0.13 -0.70 -0.31 0.00 0.00 175.10 174.45 2dm1 s GLU 62 N -3.67 1.48 -0.58 4.82 2.56 -0.33 -4.87 118.70 118.10 2dm1 s GLU 62 Ca 0.34 -0.46 -0.26 0.00 0.00 0.00 0.00 54.97 54.59 2dm1 s GLU 62 Cb 0.01 -1.29 0.04 0.00 2.00 0.00 0.00 34.13 34.89 2dm1 s GLU 62 CO 0.18 0.15 1.08 -1.21 -0.56 0.00 0.00 175.26 174.90 2dm1 s GLU 63 N 0.23 3.40 0.02 4.30 8.01 -1.26 -1.85 118.70 131.55 2dm1 s GLU 63 Ca -0.06 -0.05 0.03 0.00 0.01 0.00 0.00 54.97 54.90 2dm1 s GLU 63 Cb -0.11 -4.05 -0.04 0.00 -4.31 0.00 0.00 34.13 25.62 2dm1 s GLU 63 CO 0.02 -1.64 -0.02 -1.83 0.01 0.00 0.00 175.26 171.80 2dm1 s GLU 64 N 4.56 2.66 -1.05 1.61 -1.05 -1.24 -5.04 118.70 119.14 2dm1 s GLU 64 Ca 0.36 -0.70 -0.01 0.00 -0.15 0.00 0.00 54.97 54.47 2dm1 s GLU 64 Cb -0.10 -2.59 0.30 0.00 -0.44 0.00 0.00 34.13 31.30 2dm1 s GLU 64 CO 0.21 0.60 1.88 0.41 0.95 0.00 0.00 175.26 179.31 2dm1 n GLY 65 N 1.22 6.06 3.81 -3.83 0.00 -1.26 -4.71 105.19 106.47 2dm1 n GLY 65 Ca -0.14 -2.53 -0.38 0.00 0.00 0.00 0.00 46.02 42.97 2dm1 n GLY 65 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dm1 s ILE 66 N -4.09 5.12 0.37 -0.61 -1.09 -1.26 -5.09 121.20 114.55 2dm1 s ILE 66 Ca 0.41 0.78 0.03 0.00 -2.23 0.00 0.00 60.65 59.63 2dm1 s ILE 66 Cb 0.20 -3.70 -0.02 0.00 -1.58 0.00 0.00 42.46 37.36 2dm1 s ILE 66 CO -0.13 0.52 0.55 0.00 -1.23 0.00 0.00 174.94 174.65 2dm1 s GLN 67 N -0.61 3.23 -0.16 2.79 1.03 -1.26 -5.06 119.66 119.62 2dm1 s GLN 67 Ca 0.23 -0.62 -0.16 0.00 0.04 0.00 0.00 55.36 54.84 2dm1 s GLN 67 Cb -0.16 -2.69 -0.05 0.00 0.03 0.00 0.00 33.01 30.14 2dm1 s GLN 67 CO 0.11 0.00 -0.32 0.45 -2.54 0.00 0.00 175.29 172.99 2dm1 n SER 68 N -1.82 1.84 0.00 12.60 2.88 -1.26 -5.12 113.62 122.74 2dm1 n SER 68 Ca -0.02 0.31 0.00 0.00 -1.33 0.00 0.00 58.87 57.83 2dm1 n SER 68 Cb 0.57 -0.71 0.00 0.00 -0.75 0.00 0.00 64.21 63.33 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 1.60 -0.51 3.56 0.46 0.00 -1.26 -5.07 105.19 103.97 2dm1 n GLY 69 Ca -0.13 0.20 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 2dm1 n GLY 69 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dm1 s PRO 70 N 0.00 2.58 0.22 1.61 0.04 -1.26 -4.96 135.00 133.23 2dm1 s PRO 70 Ca 0.00 0.11 0.09 0.00 0.04 0.00 0.00 61.00 61.24 2dm1 s PRO 70 Cb 0.00 -4.76 -0.04 0.00 0.04 0.00 0.00 34.50 29.73 2dm1 s PRO 70 CO 0.00 -3.09 -0.02 -1.54 0.04 0.00 0.00 177.00 172.38 2dm1 s SER 71 N 8.08 4.56 0.09 6.66 1.04 -1.26 -5.06 113.70 127.81 2dm1 s SER 71 Ca 0.69 -0.54 -0.35 0.00 0.48 0.00 0.00 55.95 56.22 2dm1 s SER 71 Cb -0.09 -0.88 -0.18 0.00 0.10 0.00 0.00 66.02 64.97 2dm1 s SER 71 CO 0.09 0.05 1.01 -0.24 0.98 0.00 0.00 173.24 175.13 2dm1 n SER 72 N -0.42 0.25 0.00 7.02 2.88 -1.26 -5.13 113.62 116.96 2dm1 n SER 72 Ca -0.09 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.60 2dm1 n SER 72 Cb 0.57 -1.03 0.00 0.00 -0.75 0.00 0.00 64.21 63.00 2dm1 n SER 72 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42