#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 -4.96 -2.35 1.61 7.64 -1.26 -4.92 113.62 109.38 2dm1 n SER 2 Ca 0.00 -0.49 -0.33 0.00 1.01 0.00 0.00 58.87 59.06 2dm1 n SER 2 Cb 0.00 -4.49 0.06 0.00 -1.01 0.00 0.00 64.21 58.77 2dm1 n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2dm1 n SER 3 N -2.55 6.88 0.00 6.43 3.41 -1.26 -4.76 113.62 121.77 2dm1 n SER 3 Ca -0.05 -3.78 0.00 0.00 -0.26 0.00 0.00 58.87 54.77 2dm1 n SER 3 Cb 0.58 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 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 -0.79 0.39 2.76 5.00 0.00 -1.26 -4.94 105.19 106.35 2dm1 n GLY 4 Ca 0.56 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.28 2dm1 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dm1 s SER 5 N -1.00 3.83 0.07 1.61 0.01 -1.26 -5.11 113.70 111.86 2dm1 s SER 5 Ca 0.00 -2.53 -0.21 0.00 1.31 0.00 0.00 55.95 54.52 2dm1 s SER 5 Cb 0.00 -1.12 -0.07 0.00 0.21 0.00 0.00 66.02 65.05 2dm1 s SER 5 CO 0.00 -0.29 0.62 -0.55 0.41 0.00 0.00 173.24 173.43 2dm1 s SER 6 N 0.45 7.11 -1.37 2.44 0.15 -1.26 -4.08 113.70 117.13 2dm1 s SER 6 Ca 0.16 1.32 -0.08 0.00 0.70 0.00 0.00 55.95 58.05 2dm1 s SER 6 Cb -0.24 -2.39 0.03 0.00 -1.71 0.00 0.00 66.02 61.71 2dm1 s SER 6 CO -0.03 0.22 1.08 0.61 1.20 0.00 0.00 173.24 176.33 2dm1 n GLY 7 N 1.86 -0.49 2.55 9.45 0.00 -1.26 -4.93 105.19 112.36 2dm1 n GLY 7 Ca -0.09 0.21 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.79 1.93 3.05 -0.02 0.00 -1.26 -5.03 105.19 102.08 2dm1 n GLY 8 Ca -0.05 -1.01 -0.12 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.86 0.42 0.31 2.61 -4.23 -1.26 -2.58 115.64 109.05 2dm1 s THR 9 Ca 0.29 -1.10 0.06 0.00 -1.18 0.00 0.00 61.69 59.77 2dm1 s THR 9 Cb 0.40 -0.59 -0.06 0.00 1.34 0.00 0.00 72.50 73.58 2dm1 s THR 9 CO -0.03 -0.45 -0.03 0.00 -0.54 0.00 0.00 174.62 173.57 2dm1 s ALA 10 N -1.58 2.47 -0.09 3.99 0.00 -0.97 -1.02 121.76 124.57 2dm1 s ALA 10 Ca -0.10 -1.99 0.03 0.00 0.00 0.00 0.00 51.96 49.89 2dm1 s ALA 10 Cb -0.09 0.28 0.01 0.00 0.00 0.00 0.00 23.12 23.33 2dm1 s ALA 10 CO -0.00 -0.12 -0.17 0.54 0.00 0.00 0.00 175.76 176.00 2dm1 s VAL 11 N -3.02 1.53 -0.31 0.00 0.11 -0.70 -1.49 120.40 116.53 2dm1 s VAL 11 Ca 0.32 -0.70 -0.28 0.00 -2.93 0.00 0.00 61.98 58.39 2dm1 s VAL 11 Cb 0.06 -1.36 -0.06 0.00 -1.53 0.00 0.00 36.38 33.48 2dm1 s VAL 11 CO 0.14 0.44 2.28 0.00 -3.33 0.00 0.00 175.10 174.63 2dm1 n ALA 12 N 3.81 1.48 1.36 1.54 0.00 -0.74 -1.15 120.51 126.81 2dm1 n ALA 12 Ca -0.21 -0.43 0.14 0.00 0.00 0.00 0.00 53.44 52.94 2dm1 n ALA 12 Cb 0.52 -2.98 0.63 0.00 0.00 0.00 0.00 19.45 17.62 2dm1 n ALA 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2dm1 n ARG 13 N 8.81 0.53 -3.67 0.00 5.12 -0.59 -1.70 116.66 125.15 2dm1 n ARG 13 Ca 0.33 -0.14 -0.12 0.00 -1.93 0.00 0.00 57.85 55.99 2dm1 n ARG 13 Cb 0.46 -1.50 -0.06 0.00 -1.16 0.00 0.00 32.46 30.20 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 -2.57 -0.22 -0.24 -1.55 2.02 -1.16 -4.97 117.35 108.66 2dm1 s TYR 14 Ca 0.27 0.10 -0.29 0.00 -0.37 0.00 0.00 57.07 56.78 2dm1 s TYR 14 Cb 0.20 0.21 -0.01 0.00 -0.40 0.00 0.00 41.96 41.96 2dm1 s TYR 14 CO 0.49 -0.59 1.30 0.54 -1.57 0.00 0.00 175.55 175.71 2dm1 s ASN 15 N -2.20 6.78 -0.01 2.29 4.22 -1.26 -4.28 114.94 120.47 2dm1 s ASN 15 Ca -0.03 1.44 0.06 0.00 -2.14 0.00 0.00 52.86 52.19 2dm1 s ASN 15 Cb -0.00 -2.54 -0.01 0.00 1.28 0.00 0.00 41.25 39.98 2dm1 s ASN 15 CO -0.05 -0.94 -0.18 0.12 -2.04 0.00 0.00 177.10 174.01 2dm1 s PHE 16 N 4.02 1.64 -0.01 1.54 5.36 0.04 -5.00 117.98 125.56 2dm1 s PHE 16 Ca 0.56 -0.31 0.06 0.00 -0.96 0.00 0.00 56.93 56.28 2dm1 s PHE 16 Cb -0.19 -1.05 -0.03 0.00 -0.34 0.00 0.00 43.02 41.41 2dm1 s PHE 16 CO 0.19 -0.02 -0.17 0.00 -1.46 0.00 0.00 175.22 173.76 2dm1 s ALA 17 N -0.44 2.57 -0.77 11.12 0.00 -1.26 0.14 121.76 133.11 2dm1 s ALA 17 Ca 0.07 -1.08 -0.26 0.00 0.00 0.00 0.00 51.96 50.69 2dm1 s ALA 17 Cb -0.07 -0.82 0.01 0.00 0.00 0.00 0.00 23.12 22.24 2dm1 s ALA 17 CO -0.01 0.56 1.53 0.00 0.00 0.00 0.00 175.76 177.84 2dm1 s ALA 18 N -0.79 2.48 0.30 0.00 0.00 -1.26 -4.85 121.76 117.64 2dm1 s ALA 18 Ca 0.13 -1.35 0.06 0.00 0.00 0.00 0.00 51.96 50.80 2dm1 s ALA 18 Cb -0.10 -4.35 0.79 0.00 0.00 0.00 0.00 23.12 19.46 2dm1 s ALA 18 CO 0.02 -3.66 1.72 0.00 0.00 0.00 0.00 175.76 173.84 2dm1 h ARG 19 N 11.42 0.49 0.00 0.00 2.47 -1.95 -3.43 114.38 123.39 2dm1 h ARG 19 Ca -0.15 -0.03 -0.33 0.00 -1.26 0.00 0.00 59.98 58.21 2dm1 h ARG 19 Cb 1.07 -0.11 -0.05 0.00 -1.65 0.00 0.00 29.97 29.23 2dm1 h ARG 19 CO 1.28 0.33 -0.21 -3.47 0.56 0.00 0.00 179.97 178.45 2dm1 n ASP 20 N -4.95 2.46 0.11 7.04 2.03 -1.26 -5.05 116.55 116.92 2dm1 n ASP 20 Ca 0.24 -2.10 -0.17 0.00 0.52 0.00 0.00 54.79 53.28 2dm1 n ASP 20 Cb 0.68 0.12 -0.14 0.00 -0.72 0.00 0.00 41.12 41.06 2dm1 n ASP 20 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2dm1 h MET 21 N 0.00 0.29 0.00 -0.67 -0.00 -2.02 -3.18 114.93 109.36 2dm1 h MET 21 Ca -0.21 -0.50 0.00 0.00 -0.00 0.00 0.00 59.70 59.00 2dm1 h MET 21 Cb 0.66 0.18 0.00 0.00 -0.00 0.00 0.00 31.60 32.45 2dm1 h MET 21 CO 0.34 1.24 0.00 2.89 -0.00 0.00 0.00 176.91 181.38 2dm1 n ARG 22 N -3.55 0.13 -3.10 -0.10 1.85 -1.26 -4.74 116.66 105.89 2dm1 n ARG 22 Ca -0.09 0.19 -0.23 0.00 -1.00 0.00 0.00 57.85 56.72 2dm1 n ARG 22 Cb 1.03 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.94 2dm1 n ARG 22 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 2dm1 s GLU 23 N -2.75 3.18 -0.19 2.89 2.02 -1.20 -0.25 118.70 122.41 2dm1 s GLU 23 Ca 0.11 -0.47 0.01 0.00 0.02 0.00 0.00 54.97 54.65 2dm1 s GLU 23 Cb 0.10 -2.59 0.02 0.00 0.10 0.00 0.00 34.13 31.75 2dm1 s GLU 23 CO 0.24 -0.15 -0.19 -1.17 0.02 0.00 0.00 175.26 174.01 2dm1 s LEU 24 N -4.48 2.22 0.24 1.80 2.96 0.38 -4.51 118.68 117.30 2dm1 s LEU 24 Ca 0.46 -0.68 -0.30 0.00 -0.22 0.00 0.00 54.13 53.39 2dm1 s LEU 24 Cb -0.10 -1.49 -0.09 0.00 0.50 0.00 0.00 46.19 45.01 2dm1 s LEU 24 CO 0.37 -0.01 1.21 -0.44 -1.32 0.00 0.00 176.35 176.16 2dm1 s SER 25 N 1.28 7.05 -0.02 3.68 0.01 -1.26 -4.46 113.70 119.98 2dm1 s SER 25 Ca 0.04 2.36 0.07 0.00 1.31 0.00 0.00 55.95 59.74 2dm1 s SER 25 Cb -0.13 -2.62 -0.02 0.00 0.21 0.00 0.00 66.02 63.46 2dm1 s SER 25 CO -0.12 -0.36 -0.24 -0.76 0.41 0.00 0.00 173.24 172.16 2dm1 s LEU 26 N -0.86 2.05 -0.04 2.44 1.43 0.12 -4.92 118.68 118.89 2dm1 s LEU 26 Ca 0.50 -0.44 0.06 0.00 -1.03 0.00 0.00 54.13 53.23 2dm1 s LEU 26 Cb -0.34 -1.24 -0.02 0.00 0.03 0.00 0.00 46.19 44.62 2dm1 s LEU 26 CO 0.41 0.29 -0.22 -0.60 0.23 0.00 0.00 176.35 176.46 2dm1 s ARG 27 N -0.54 2.38 -0.73 1.70 3.52 -1.26 -0.78 118.95 123.25 2dm1 s ARG 27 Ca 0.08 -0.86 -0.34 0.00 -0.13 0.00 0.00 55.73 54.48 2dm1 s ARG 27 Cb -0.09 -2.18 -0.19 0.00 -1.56 0.00 0.00 34.95 30.92 2dm1 s ARG 27 CO -0.01 0.51 2.29 0.39 -0.81 0.00 0.00 175.30 177.68 2dm1 n GLU 28 N 2.60 0.00 0.00 5.12 1.02 -1.26 0.14 120.64 128.25 2dm1 n GLU 28 Ca -0.17 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.97 2dm1 n GLU 28 Cb 0.52 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.53 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 6.49 1.05 3.58 0.62 0.00 -0.69 -5.02 105.19 111.23 2dm1 n GLY 29 Ca 0.57 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.18 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 6.44 -0.10 1.61 1.11 0.37 -4.83 116.67 119.27 2dm1 s ASP 30 Ca 0.00 0.23 -0.29 0.00 0.18 0.00 0.00 52.55 52.67 2dm1 s ASP 30 Cb 0.00 -2.32 -0.01 0.00 1.07 0.00 0.00 42.92 41.66 2dm1 s ASP 30 CO 0.00 -0.54 0.98 -0.69 1.18 0.00 0.00 175.17 176.10 2dm1 s VAL 31 N 2.63 4.81 0.05 -1.27 1.01 -1.26 -1.80 120.40 124.58 2dm1 s VAL 31 Ca 0.24 1.99 0.06 0.00 0.00 0.00 0.00 61.98 64.27 2dm1 s VAL 31 Cb -0.15 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 31.91 2dm1 s VAL 31 CO 0.14 0.03 -0.13 -0.69 0.00 0.00 0.00 175.10 174.44 2dm1 s VAL 32 N 1.89 3.15 -0.45 2.92 1.01 -0.55 -4.67 120.40 123.69 2dm1 s VAL 32 Ca 0.47 -1.12 -0.12 0.00 0.00 0.00 0.00 61.98 61.21 2dm1 s VAL 32 Cb -0.18 -2.38 0.08 0.00 0.00 0.00 0.00 36.38 33.90 2dm1 s VAL 32 CO 0.18 0.28 0.34 -0.13 0.00 0.00 0.00 175.10 175.78 2dm1 s ARG 33 N -1.66 2.79 -0.51 2.72 0.52 -1.24 -2.29 118.95 119.27 2dm1 s ARG 33 Ca 0.17 -1.45 -0.26 0.00 -0.52 0.00 0.00 55.73 53.67 2dm1 s ARG 33 Cb -0.11 -3.98 -0.05 0.00 0.52 0.00 0.00 34.95 31.33 2dm1 s ARG 33 CO 0.08 -1.03 2.17 0.42 0.02 0.00 0.00 175.30 176.97 2dm1 s ILE 34 N 1.53 3.15 -0.09 1.52 1.01 -1.06 -3.98 121.20 123.28 2dm1 s ILE 34 Ca 0.04 0.10 -0.23 0.00 0.00 0.00 0.00 60.65 60.55 2dm1 s ILE 34 Cb -0.24 -3.38 -0.29 0.00 0.01 0.00 0.00 42.46 38.56 2dm1 s ILE 34 CO 0.04 -0.36 0.77 1.88 0.00 0.00 0.00 174.94 177.28 2dm1 h TYR 35 N 17.40 0.35 -3.38 3.97 0.05 -0.92 -3.44 116.97 131.00 2dm1 h TYR 35 Ca -0.26 -0.25 -0.56 0.00 0.05 0.00 0.00 58.73 57.70 2dm1 h TYR 35 Cb 1.22 -0.01 -0.39 0.00 1.01 0.00 0.00 36.73 38.56 2dm1 h TYR 35 CO 0.99 1.27 -0.77 0.45 -1.05 0.00 0.00 178.16 179.05 2dm1 s SER 36 N -6.77 3.47 0.40 3.88 0.15 -1.22 -4.99 113.70 108.62 2dm1 s SER 36 Ca -0.17 -1.12 0.17 0.00 0.70 0.00 0.00 55.95 55.53 2dm1 s SER 36 Cb 0.01 -0.86 0.84 0.00 -1.71 0.00 0.00 66.02 64.30 2dm1 s SER 36 CO 0.77 -0.31 1.85 -0.09 1.20 0.00 0.00 173.24 176.66 2dm1 h ARG 37 N 8.11 0.00 -5.24 5.44 2.43 -1.91 -3.22 114.38 119.99 2dm1 h ARG 37 Ca -0.16 0.00 -0.64 0.00 -0.81 0.00 0.00 59.98 58.37 2dm1 h ARG 37 Cb 1.08 0.00 -0.22 0.00 -0.42 0.00 0.00 29.97 30.41 2dm1 h ARG 37 CO 0.39 0.33 -0.66 0.42 -1.51 0.00 0.00 179.97 178.94 2dm1 s ILE 38 N -4.06 3.95 0.00 1.20 1.01 -1.26 -4.81 121.20 117.22 2dm1 s ILE 38 Ca -0.02 -0.33 0.00 0.00 0.00 0.00 0.00 60.65 60.30 2dm1 s ILE 38 Cb 0.13 -2.75 0.00 0.00 0.01 0.00 0.00 42.46 39.85 2dm1 s ILE 38 CO 0.69 0.47 0.00 0.61 0.00 0.00 0.00 174.94 176.71 2dm1 n GLY 39 N 3.76 3.57 0.00 6.18 0.00 -1.26 -5.02 105.19 112.42 2dm1 n GLY 39 Ca -0.17 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 1.12 2.95 -0.02 0.00 -1.26 -4.96 105.19 103.02 2dm1 n GLY 40 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2dm1 n GLY 40 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dm1 n ASP 41 N 0.00 -3.25 -2.02 1.61 8.00 -1.26 -4.75 116.55 114.88 2dm1 n ASP 41 Ca 0.00 0.61 -0.15 0.00 0.71 0.00 0.00 54.79 55.96 2dm1 n ASP 41 Cb 0.00 -0.77 -0.06 0.00 -0.02 0.00 0.00 41.12 40.27 2dm1 n ASP 41 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dm1 n GLN 42 N 1.35 1.88 0.00 -1.24 10.64 -1.26 -3.64 117.38 125.10 2dm1 n GLN 42 Ca 0.08 -1.32 0.00 0.00 -1.83 0.00 0.00 57.00 53.92 2dm1 n GLN 42 Cb 0.42 -1.76 0.00 0.00 -0.86 0.00 0.00 30.24 28.04 2dm1 n GLN 42 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2dm1 n GLY 43 N 1.35 0.00 3.29 2.61 0.00 -1.26 -5.17 105.19 106.01 2dm1 n GLY 43 Ca 0.33 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.19 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 1.49 0.07 1.61 0.52 -1.24 -3.17 118.94 118.22 2dm1 s TRP 44 Ca 0.00 -0.65 -0.02 0.00 0.02 0.00 0.00 56.10 55.45 2dm1 s TRP 44 Cb 0.00 -0.72 -0.03 0.00 -1.15 0.00 0.00 33.47 31.56 2dm1 s TRP 44 CO 0.00 0.22 0.02 -1.58 0.02 0.00 0.00 176.95 175.63 2dm1 s TRP 45 N -3.00 0.49 -0.29 -1.98 0.51 -0.98 -4.60 118.94 109.08 2dm1 s TRP 45 Ca 0.18 -1.00 -0.07 0.00 -2.12 0.00 0.00 56.10 53.09 2dm1 s TRP 45 Cb 0.00 -0.34 -0.00 0.00 -0.81 0.00 0.00 33.47 32.32 2dm1 s TRP 45 CO 0.04 -0.43 0.09 0.21 -0.51 0.00 0.00 176.95 176.35 2dm1 s LYS 46 N -3.92 3.26 0.00 4.98 2.20 -1.21 -1.93 119.74 123.11 2dm1 s LYS 46 Ca 0.08 -0.75 0.00 0.00 -0.36 0.00 0.00 55.97 54.95 2dm1 s LYS 46 Cb 0.07 -3.38 0.00 0.00 -1.51 0.00 0.00 37.83 33.01 2dm1 s LYS 46 CO -0.09 -0.38 0.00 0.41 -0.36 0.00 0.00 175.35 174.93 2dm1 n GLY 47 N 4.90 5.86 3.60 5.54 0.00 -1.21 -0.22 105.19 123.66 2dm1 n GLY 47 Ca -0.15 -1.62 -0.13 0.00 0.00 0.00 0.00 46.02 44.13 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 0.80 0.74 -0.21 1.61 2.12 -1.26 -3.45 118.70 119.05 2dm1 s GLU 48 Ca 0.00 0.58 -0.28 0.00 0.36 0.00 0.00 54.97 55.63 2dm1 s GLU 48 Cb 0.00 0.35 0.12 0.00 0.26 0.00 0.00 34.13 34.87 2dm1 s GLU 48 CO 0.00 -0.15 1.01 -0.08 -0.54 0.00 0.00 175.26 175.50 2dm1 s THR 49 N -0.24 0.00 -1.32 -1.70 -1.32 -0.74 -3.70 115.64 106.61 2dm1 s THR 49 Ca -0.02 0.00 -0.04 0.00 -1.21 0.00 0.00 61.69 60.43 2dm1 s THR 49 Cb -0.03 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 69.98 2dm1 s THR 49 CO 0.01 0.00 0.27 0.59 -2.21 0.00 0.00 174.62 173.27 2dm1 n ASN 50 N 1.40 -4.60 -1.82 8.08 4.13 -1.26 -0.89 115.26 120.29 2dm1 n ASN 50 Ca -0.11 -0.10 -0.12 0.00 1.68 0.00 0.00 54.58 55.93 2dm1 n ASN 50 Cb 0.57 -3.82 0.03 0.00 -1.54 0.00 0.00 39.78 35.01 2dm1 n ASN 50 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2dm1 n GLY 51 N -1.09 0.08 2.80 7.41 0.00 -1.26 -5.03 105.19 108.11 2dm1 n GLY 51 Ca -0.12 -0.27 -0.24 0.00 0.00 0.00 0.00 46.02 45.39 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 -5.29 0.86 0.02 1.61 1.81 -0.07 -5.14 118.95 112.75 2dm1 s ARG 52 Ca 0.20 -0.04 0.06 0.00 -1.72 0.00 0.00 55.73 54.23 2dm1 s ARG 52 Cb -0.09 -1.25 -0.03 0.00 -0.45 0.00 0.00 34.95 33.13 2dm1 s ARG 52 CO 0.25 -0.33 -0.17 0.42 -0.68 0.00 0.00 175.30 174.80 2dm1 s ILE 53 N 1.89 2.89 -4.38 1.52 1.01 -1.26 -1.78 121.20 121.09 2dm1 s ILE 53 Ca 0.04 -1.08 0.00 0.00 0.00 0.00 0.00 60.65 59.61 2dm1 s ILE 53 Cb -0.13 -2.21 0.00 0.00 0.01 0.00 0.00 42.46 40.14 2dm1 s ILE 53 CO -0.06 0.38 0.00 0.61 0.00 0.00 0.00 174.94 175.87 2dm1 n GLY 54 N 1.67 -0.52 3.72 6.18 0.00 -1.22 -4.78 105.19 110.24 2dm1 n GLY 54 Ca -0.16 -0.87 -0.35 0.00 0.00 0.00 0.00 46.02 44.64 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 -3.54 3.39 0.03 1.61 0.52 0.66 -3.33 118.94 118.29 2dm1 s TRP 55 Ca 0.00 0.29 0.04 0.00 0.02 0.00 0.00 56.10 56.46 2dm1 s TRP 55 Cb 0.00 -2.13 -0.02 0.00 -1.15 0.00 0.00 33.47 30.17 2dm1 s TRP 55 CO 0.00 0.29 -0.13 -0.59 0.02 0.00 0.00 176.95 176.54 2dm1 s PHE 56 N 0.29 1.16 -0.09 -1.98 -0.71 -0.81 -0.47 117.98 115.37 2dm1 s PHE 56 Ca 0.07 -0.33 -0.30 0.00 -1.04 0.00 0.00 56.93 55.34 2dm1 s PHE 56 Cb -0.11 -0.70 -0.04 0.00 -1.21 0.00 0.00 43.02 40.96 2dm1 s PHE 56 CO -0.01 0.02 1.52 -1.25 -1.34 0.00 0.00 175.22 174.16 2dm1 s PRO 57 N -0.98 4.20 0.00 1.99 0.04 -1.26 -2.32 135.00 136.66 2dm1 s PRO 57 Ca 0.02 2.01 0.22 0.00 0.04 0.00 0.00 61.00 63.29 2dm1 s PRO 57 Cb -0.07 -3.91 1.18 0.00 0.04 0.00 0.00 34.50 31.74 2dm1 s PRO 57 CO 0.01 -0.80 1.71 -1.13 0.04 0.00 0.00 177.00 176.83 2dm1 n SER 58 N 6.96 0.00 0.01 6.66 3.41 -1.19 -2.82 113.62 126.64 2dm1 n SER 58 Ca 0.16 -0.24 -0.15 0.00 -0.26 0.00 0.00 58.87 58.39 2dm1 n SER 58 Cb 0.43 -0.20 -0.14 0.00 -0.26 0.00 0.00 64.21 64.05 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 0.89 0.00 6.66 1.35 -1.90 -3.31 112.91 116.60 2dm1 h THR 59 Ca 0.00 -2.65 0.00 0.00 -0.55 0.00 0.00 66.41 63.21 2dm1 h THR 59 Cb 0.14 2.55 0.00 0.00 -1.73 0.00 0.00 68.15 69.12 2dm1 h THR 59 CO 0.00 0.72 0.00 -1.22 -0.25 0.00 0.00 175.52 174.77 2dm1 n TYR 60 N -3.30 0.00 -4.73 4.73 4.02 -1.13 -4.81 117.16 111.94 2dm1 n TYR 60 Ca -0.21 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.36 2dm1 n TYR 60 Cb 1.04 -0.05 -0.08 0.00 -0.02 0.00 0.00 39.34 40.24 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 -2.09 1.23 -0.18 -0.72 -7.23 -1.25 -1.55 120.40 108.61 2dm1 s VAL 61 Ca 0.41 -1.99 -0.05 0.00 -1.81 0.00 0.00 61.98 58.55 2dm1 s VAL 61 Cb 0.20 -2.21 0.06 0.00 0.56 0.00 0.00 36.38 34.99 2dm1 s VAL 61 CO 0.35 0.00 0.08 -0.70 -0.31 0.00 0.00 175.10 174.52 2dm1 s GLU 62 N -3.88 0.19 -0.22 4.82 2.12 -0.30 -4.75 118.70 116.68 2dm1 s GLU 62 Ca 0.08 -0.16 -0.31 0.00 0.36 0.00 0.00 54.97 54.93 2dm1 s GLU 62 Cb 0.02 -1.88 -0.08 0.00 0.26 0.00 0.00 34.13 32.44 2dm1 s GLU 62 CO 0.04 -0.67 2.14 0.39 -0.54 0.00 0.00 175.26 176.63 2dm1 n GLU 63 N 5.23 1.78 -2.07 4.30 1.02 -1.26 -1.71 120.64 127.92 2dm1 n GLU 63 Ca -0.07 0.53 -0.29 0.00 -0.02 0.00 0.00 57.16 57.31 2dm1 n GLU 63 Cb 0.48 -2.89 0.04 0.00 -0.02 0.00 0.00 31.44 29.06 2dm1 n GLU 63 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2dm1 s GLU 64 N 5.83 2.94 0.00 3.49 2.02 -0.19 -4.96 118.70 127.83 2dm1 s GLU 64 Ca 1.02 0.32 0.00 0.00 0.02 0.00 0.00 54.97 56.32 2dm1 s GLU 64 Cb -0.56 -2.12 0.00 0.00 0.10 0.00 0.00 34.13 31.55 2dm1 s GLU 64 CO 0.43 -0.87 0.00 0.41 0.02 0.00 0.00 175.26 175.24 2dm1 n GLY 65 N -2.83 3.57 2.60 -1.39 0.00 -1.26 -4.59 105.19 101.29 2dm1 n GLY 65 Ca 0.06 -0.31 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 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 0.00 0.00 -4.38 -0.61 3.06 -1.26 -4.98 119.36 111.19 2dm1 n ILE 66 Ca 0.00 -0.41 -0.26 0.00 -2.50 0.00 0.00 62.75 59.57 2dm1 n ILE 66 Cb 0.00 0.00 -0.09 0.00 0.54 0.00 0.00 39.64 40.09 2dm1 n ILE 66 CO 0.00 0.00 0.00 -1.10 -2.50 0.00 0.00 176.55 172.95 2dm1 s GLN 67 N -1.19 2.08 0.28 9.51 -0.21 -1.26 -5.11 119.66 123.77 2dm1 s GLN 67 Ca 0.41 -1.97 -0.29 0.00 0.02 0.00 0.00 55.36 53.53 2dm1 s GLN 67 Cb -0.30 -1.81 -0.10 0.00 1.00 0.00 0.00 33.01 31.80 2dm1 s GLN 67 CO 0.61 -0.07 1.31 -1.12 -2.12 0.00 0.00 175.29 173.89 2dm1 s SER 68 N -3.80 6.84 0.00 5.90 0.01 -1.26 -4.98 113.70 116.41 2dm1 s SER 68 Ca 0.38 2.56 0.00 0.00 1.31 0.00 0.00 55.95 60.20 2dm1 s SER 68 Cb 0.07 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.66 2dm1 s SER 68 CO 0.20 -0.52 0.00 0.61 0.41 0.00 0.00 173.24 173.94 2dm1 n GLY 69 N 1.48 3.11 0.00 3.44 0.00 -1.26 -5.00 105.19 106.97 2dm1 n GLY 69 Ca 0.03 -0.75 0.06 0.00 0.00 0.00 0.00 46.02 45.35 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 0.49 -2.12 1.61 -0.04 -1.26 -4.80 135.00 128.87 2dm1 n PRO 70 Ca 0.00 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 2dm1 n PRO 70 Cb 0.00 -1.36 -0.02 0.00 -0.04 0.00 0.00 33.50 32.07 2dm1 n PRO 70 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dm1 s SER 71 N -1.87 6.78 -0.16 3.54 0.01 -1.26 -4.97 113.70 115.79 2dm1 s SER 71 Ca 0.17 2.60 -0.12 0.00 1.31 0.00 0.00 55.95 59.91 2dm1 s SER 71 Cb 0.08 -2.63 -0.06 0.00 0.21 0.00 0.00 66.02 63.61 2dm1 s SER 71 CO 0.13 -0.57 -0.10 -1.20 0.41 0.00 0.00 173.24 171.92 2dm1 n SER 72 N 1.68 1.82 0.00 2.44 7.64 -1.26 -5.15 113.62 120.78 2dm1 n SER 72 Ca 0.03 0.59 0.00 0.00 1.01 0.00 0.00 58.87 60.51 2dm1 n SER 72 Cb 0.42 -0.89 0.00 0.00 -1.01 0.00 0.00 64.21 62.72 2dm1 n SER 72 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64