#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dm1 s SER 2 N 0.00 1.40 0.19 1.61 0.01 -1.26 -5.18 113.70 110.47 2dm1 s SER 2 Ca 0.00 -1.57 0.02 0.00 1.31 0.00 0.00 55.95 55.71 2dm1 s SER 2 Cb 0.00 0.42 -0.05 0.00 0.21 0.00 0.00 66.02 66.60 2dm1 s SER 2 CO 0.00 -0.91 -0.00 -0.55 0.41 0.00 0.00 173.24 172.18 2dm1 s SER 3 N -3.35 1.43 0.00 2.44 0.15 -1.26 -5.11 113.70 108.01 2dm1 s SER 3 Ca 0.37 -1.18 0.00 0.00 0.70 0.00 0.00 55.95 55.84 2dm1 s SER 3 Cb 0.05 0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.44 2dm1 s SER 3 CO 0.18 -0.54 0.52 0.61 1.20 0.00 0.00 173.24 175.22 2dm1 n GLY 4 N -0.30 -2.54 3.48 9.45 0.00 -1.26 -4.95 105.19 109.06 2dm1 n GLY 4 Ca -0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.94 2.55 -0.33 1.61 1.04 -1.26 -5.12 113.70 110.24 2dm1 s SER 5 Ca 0.00 -1.44 -0.17 0.00 0.48 0.00 0.00 55.95 54.82 2dm1 s SER 5 Cb 0.00 0.05 -0.01 0.00 0.10 0.00 0.00 66.02 66.15 2dm1 s SER 5 CO 0.00 -0.68 0.46 -0.44 0.98 0.00 0.00 173.24 173.56 2dm1 s SER 6 N -3.53 6.28 0.27 7.02 0.01 -1.26 -4.84 113.70 117.66 2dm1 s SER 6 Ca 0.33 -0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.58 2dm1 s SER 6 Cb 0.07 -2.24 0.00 0.00 0.21 0.00 0.00 66.02 64.06 2dm1 s SER 6 CO 0.15 -0.40 0.00 0.61 0.41 0.00 0.00 173.24 174.01 2dm1 n GLY 7 N 4.80 1.51 0.85 3.44 0.00 -1.26 -4.83 105.19 109.69 2dm1 n GLY 7 Ca -0.06 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 0.49 3.15 -0.02 0.00 -1.26 -4.98 105.19 102.57 2dm1 n GLY 8 Ca 0.00 -0.47 -0.13 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.56 0.79 0.41 2.61 -4.23 -1.26 -2.82 115.64 108.58 2dm1 s THR 9 Ca 0.00 -1.60 0.05 0.00 -1.18 0.00 0.00 61.69 58.96 2dm1 s THR 9 Cb 0.00 -1.29 -0.06 0.00 1.34 0.00 0.00 72.50 72.48 2dm1 s THR 9 CO 0.00 -0.61 0.02 0.00 -0.54 0.00 0.00 174.62 173.50 2dm1 s ALA 10 N -2.54 3.15 -0.05 3.99 0.00 0.41 -2.34 121.76 124.37 2dm1 s ALA 10 Ca 0.04 -1.90 0.00 0.00 0.00 0.00 0.00 51.96 50.10 2dm1 s ALA 10 Cb -0.02 0.27 0.02 0.00 0.00 0.00 0.00 23.12 23.39 2dm1 s ALA 10 CO -0.01 -0.15 -0.03 0.08 0.00 0.00 0.00 175.76 175.64 2dm1 s VAL 11 N -2.88 0.50 -0.44 0.00 1.01 0.19 -1.67 120.40 117.12 2dm1 s VAL 11 Ca 0.30 -0.06 -0.27 0.00 0.00 0.00 0.00 61.98 61.95 2dm1 s VAL 11 Cb 0.08 -0.57 -0.07 0.00 0.00 0.00 0.00 36.38 35.82 2dm1 s VAL 11 CO 0.15 0.24 2.37 0.00 0.00 0.00 0.00 175.10 177.86 2dm1 n ALA 12 N 4.38 1.04 0.14 5.51 0.00 -0.50 -1.06 120.51 130.01 2dm1 n ALA 12 Ca -0.20 -0.69 0.01 0.00 0.00 0.00 0.00 53.44 52.57 2dm1 n ALA 12 Cb 0.51 -3.06 0.08 0.00 0.00 0.00 0.00 19.45 16.97 2dm1 n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dm1 h ARG 13 N 17.78 0.00 -4.57 0.00 2.47 -1.76 -1.42 114.38 126.87 2dm1 h ARG 13 Ca -0.28 0.00 -0.21 0.00 -1.26 0.00 0.00 59.98 58.23 2dm1 h ARG 13 Cb 1.27 0.00 -0.15 0.00 -1.65 0.00 0.00 29.97 29.44 2dm1 h ARG 13 CO 1.11 0.57 -0.68 0.71 0.56 0.00 0.00 179.97 182.24 2dm1 s TYR 14 N -3.10 0.87 -0.27 3.04 2.02 -1.21 -4.88 117.35 113.81 2dm1 s TYR 14 Ca 0.02 -0.99 -0.26 0.00 -0.37 0.00 0.00 57.07 55.47 2dm1 s TYR 14 Cb 0.09 -0.52 0.00 0.00 -0.40 0.00 0.00 41.96 41.14 2dm1 s TYR 14 CO 0.74 -0.24 0.88 0.54 -1.57 0.00 0.00 175.55 175.91 2dm1 s ASN 15 N -3.04 6.84 -0.05 2.29 2.20 -1.26 -4.09 114.94 117.84 2dm1 s ASN 15 Ca 0.14 1.00 0.04 0.00 -0.94 0.00 0.00 52.86 53.09 2dm1 s ASN 15 Cb 0.06 -2.46 0.00 0.00 -2.00 0.00 0.00 41.25 36.85 2dm1 s ASN 15 CO -0.04 -0.61 -0.16 0.12 -2.94 0.00 0.00 177.10 173.47 2dm1 s PHE 16 N 3.03 1.62 -0.31 1.54 2.19 0.40 -5.01 117.98 121.44 2dm1 s PHE 16 Ca 0.37 -0.49 -0.10 0.00 0.33 0.00 0.00 56.93 57.04 2dm1 s PHE 16 Cb -0.15 -1.11 -0.01 0.00 -1.31 0.00 0.00 43.02 40.44 2dm1 s PHE 16 CO 0.09 -0.18 0.17 0.00 1.83 0.00 0.00 175.22 177.13 2dm1 s ALA 17 N 0.16 3.35 -0.43 11.12 0.00 -1.26 -1.24 121.76 133.46 2dm1 s ALA 17 Ca -0.06 -1.35 -0.34 0.00 0.00 0.00 0.00 51.96 50.20 2dm1 s ALA 17 Cb -0.12 -2.45 -0.12 0.00 0.00 0.00 0.00 23.12 20.43 2dm1 s ALA 17 CO 0.02 -0.88 2.26 0.00 0.00 0.00 0.00 175.76 177.17 2dm1 n ALA 18 N 5.02 0.93 -0.22 0.00 0.00 -1.26 -4.81 120.51 120.17 2dm1 n ALA 18 Ca -0.14 -0.15 -0.00 0.00 0.00 0.00 0.00 53.44 53.15 2dm1 n ALA 18 Cb 0.50 -2.56 0.11 0.00 0.00 0.00 0.00 19.45 17.50 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 12.86 0.51 -5.74 0.00 3.08 -1.94 -3.44 114.38 119.72 2dm1 h ARG 19 Ca -0.24 -0.03 -0.61 0.00 0.07 0.00 0.00 59.98 59.18 2dm1 h ARG 19 Cb 1.32 -0.11 -0.13 0.00 0.08 0.00 0.00 29.97 31.12 2dm1 h ARG 19 CO 1.07 0.34 -0.64 -0.51 -1.07 0.00 0.00 179.97 179.16 2dm1 s ASP 20 N -5.47 3.65 0.08 7.04 1.11 -1.26 -5.06 116.67 116.76 2dm1 s ASP 20 Ca -0.13 -1.28 -0.30 0.00 0.18 0.00 0.00 52.55 51.02 2dm1 s ASP 20 Cb 0.17 -0.34 -0.16 0.00 1.07 0.00 0.00 42.92 43.66 2dm1 s ASP 20 CO 0.75 -0.35 1.65 -0.03 1.18 0.00 0.00 175.17 178.38 2dm1 h MET 21 N 1.94 -0.63 -0.97 8.23 1.85 -2.02 -2.64 114.93 120.68 2dm1 h MET 21 Ca -0.43 0.04 0.32 0.00 -0.61 0.00 0.00 59.70 59.02 2dm1 h MET 21 Cb 1.24 0.14 -0.17 0.00 0.43 0.00 0.00 31.60 33.25 2dm1 h MET 21 CO 0.75 -0.42 0.29 0.00 -0.40 0.00 0.00 176.91 177.13 2dm1 h ARG 22 N -0.65 0.08 -7.21 0.39 3.08 -1.96 -3.40 114.38 104.70 2dm1 h ARG 22 Ca -0.05 -0.00 -0.42 0.00 0.07 0.00 0.00 59.98 59.57 2dm1 h ARG 22 Cb 0.53 -0.02 0.20 0.00 0.08 0.00 0.00 29.97 30.76 2dm1 h ARG 22 CO 0.05 0.05 0.04 -1.21 -1.07 0.00 0.00 179.97 177.83 2dm1 s GLU 23 N -5.80 -1.20 -0.04 0.04 8.01 -1.00 -1.25 118.70 117.47 2dm1 s GLU 23 Ca -0.11 0.43 0.05 0.00 0.01 0.00 0.00 54.97 55.34 2dm1 s GLU 23 Cb 0.30 -1.56 -0.01 0.00 -4.31 0.00 0.00 34.13 28.56 2dm1 s GLU 23 CO 0.78 -3.80 -0.18 -1.17 0.01 0.00 0.00 175.26 170.89 2dm1 s LEU 24 N -7.16 1.95 0.20 1.80 2.96 -0.65 -4.26 118.68 113.52 2dm1 s LEU 24 Ca 0.68 -0.37 -0.30 0.00 -0.22 0.00 0.00 54.13 53.92 2dm1 s LEU 24 Cb -0.18 -1.03 -0.08 0.00 0.50 0.00 0.00 46.19 45.40 2dm1 s LEU 24 CO 0.60 0.18 1.15 -0.94 -1.32 0.00 0.00 176.35 176.02 2dm1 s SER 25 N -0.06 7.17 -0.12 3.68 1.04 -1.26 -4.34 113.70 119.81 2dm1 s SER 25 Ca -0.02 2.19 0.03 0.00 0.48 0.00 0.00 55.95 58.63 2dm1 s SER 25 Cb -0.11 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.40 2dm1 s SER 25 CO 0.02 -0.29 -0.22 -0.76 0.98 0.00 0.00 173.24 172.96 2dm1 s LEU 26 N -0.45 2.14 -0.06 2.42 1.43 -0.37 -4.95 118.68 118.84 2dm1 s LEU 26 Ca 0.50 -0.56 0.06 0.00 -1.03 0.00 0.00 54.13 53.10 2dm1 s LEU 26 Cb -0.31 -1.44 -0.01 0.00 0.03 0.00 0.00 46.19 44.46 2dm1 s LEU 26 CO 0.37 0.13 -0.25 -0.60 0.23 0.00 0.00 176.35 176.23 2dm1 s ARG 27 N 0.54 2.50 -0.47 1.70 3.52 -1.26 -0.45 118.95 125.04 2dm1 s ARG 27 Ca -0.14 -0.90 -0.43 0.00 -0.13 0.00 0.00 55.73 54.14 2dm1 s ARG 27 Cb -0.17 -2.13 -0.18 0.00 -1.56 0.00 0.00 34.95 30.91 2dm1 s ARG 27 CO 0.04 0.38 2.07 0.39 -0.81 0.00 0.00 175.30 177.38 2dm1 n GLU 28 N 2.94 0.23 0.00 5.12 1.02 -1.26 0.39 120.64 129.07 2dm1 n GLU 28 Ca -0.17 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 2dm1 n GLU 28 Cb 0.52 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 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 6.83 2.90 3.70 0.62 0.00 -0.53 -4.99 105.19 113.71 2dm1 n GLY 29 Ca 0.49 -0.96 -0.57 0.00 0.00 0.00 0.00 46.02 44.99 2dm1 n GLY 29 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dm1 n ASP 30 N 0.30 2.34 -4.50 1.61 9.92 0.16 -4.52 116.55 121.86 2dm1 n ASP 30 Ca 0.00 1.08 -0.43 0.00 -0.53 0.00 0.00 54.79 54.91 2dm1 n ASP 30 Cb 0.00 -1.15 -0.07 0.00 -0.64 0.00 0.00 41.12 39.25 2dm1 n ASP 30 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2dm1 s VAL 31 N 3.21 4.91 0.05 2.53 1.01 -1.26 -1.41 120.40 129.44 2dm1 s VAL 31 Ca 0.97 -0.08 -0.12 0.00 0.00 0.00 0.00 61.98 62.75 2dm1 s VAL 31 Cb -1.04 -4.16 -0.06 0.00 0.00 0.00 0.00 36.38 31.12 2dm1 s VAL 31 CO 0.63 -0.55 0.41 -0.69 0.00 0.00 0.00 175.10 174.89 2dm1 s VAL 32 N 2.59 5.06 -0.47 2.92 1.01 -0.67 -4.70 120.40 126.14 2dm1 s VAL 32 Ca 0.19 0.61 -0.13 0.00 0.00 0.00 0.00 61.98 62.65 2dm1 s VAL 32 Cb -0.15 -3.67 0.09 0.00 0.00 0.00 0.00 36.38 32.65 2dm1 s VAL 32 CO 0.17 0.40 0.37 -0.60 0.00 0.00 0.00 175.10 175.44 2dm1 s ARG 33 N -1.60 2.80 -0.46 2.72 3.52 -1.24 -0.44 118.95 124.25 2dm1 s ARG 33 Ca 0.30 -1.52 -0.27 0.00 -0.13 0.00 0.00 55.73 54.11 2dm1 s ARG 33 Cb -0.15 -4.04 -0.05 0.00 -1.56 0.00 0.00 34.95 29.15 2dm1 s ARG 33 CO 0.16 -1.09 2.19 0.42 -0.81 0.00 0.00 175.30 176.16 2dm1 s ILE 34 N 1.53 3.14 -0.12 4.11 1.01 -1.13 -3.75 121.20 126.00 2dm1 s ILE 34 Ca 0.04 0.10 -0.05 0.00 0.00 0.00 0.00 60.65 60.74 2dm1 s ILE 34 Cb -0.25 -3.30 -0.03 0.00 0.01 0.00 0.00 42.46 38.88 2dm1 s ILE 34 CO 0.04 -0.27 0.02 1.88 0.00 0.00 0.00 174.94 176.60 2dm1 h TYR 35 N 17.11 0.00 -3.53 3.97 0.05 -1.27 -3.46 116.97 129.84 2dm1 h TYR 35 Ca -0.28 0.00 -0.65 0.00 0.05 0.00 0.00 58.73 57.85 2dm1 h TYR 35 Cb 1.23 0.00 -0.33 0.00 1.01 0.00 0.00 36.73 38.64 2dm1 h TYR 35 CO 0.98 0.11 -0.87 -1.12 -1.05 0.00 0.00 178.16 176.21 2dm1 s SER 36 N -5.68 2.85 -0.21 3.88 0.01 -1.16 -5.02 113.70 108.37 2dm1 s SER 36 Ca -0.06 -0.50 -0.15 0.00 1.31 0.00 0.00 55.95 56.55 2dm1 s SER 36 Cb 0.00 -1.16 -0.19 0.00 0.21 0.00 0.00 66.02 64.89 2dm1 s SER 36 CO 0.12 0.16 0.08 0.54 0.41 0.00 0.00 173.24 174.54 2dm1 n ARG 37 N 3.41 0.62 -3.40 12.44 1.74 -1.26 -2.61 116.66 127.60 2dm1 n ARG 37 Ca -0.19 0.41 -0.37 0.00 -0.77 0.00 0.00 57.85 56.92 2dm1 n ARG 37 Cb 0.53 -1.66 -0.06 0.00 -1.02 0.00 0.00 32.46 30.24 2dm1 n ARG 37 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2dm1 s ILE 38 N -2.45 5.23 0.00 0.55 1.01 -1.26 -4.75 121.20 119.54 2dm1 s ILE 38 Ca -0.30 0.79 0.00 0.00 0.00 0.00 0.00 60.65 61.13 2dm1 s ILE 38 Cb 0.08 -3.74 0.00 0.00 0.01 0.00 0.00 42.46 38.81 2dm1 s ILE 38 CO 0.61 0.34 0.00 0.61 0.00 0.00 0.00 174.94 176.50 2dm1 n GLY 39 N 3.36 -2.32 0.00 6.18 0.00 -1.26 -5.11 105.19 106.04 2dm1 n GLY 39 Ca -0.09 0.76 0.00 0.00 0.00 0.00 0.00 46.02 46.69 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 -0.89 2.16 3.60 -0.02 0.00 -1.26 -5.04 105.19 103.74 2dm1 n GLY 40 Ca 0.00 -0.67 -0.47 0.00 0.00 0.00 0.00 46.02 44.87 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 1.71 -4.51 1.61 8.00 -1.26 -4.86 116.55 117.24 2dm1 n ASP 41 Ca 0.00 1.15 -0.39 0.00 0.71 0.00 0.00 54.79 56.25 2dm1 n ASP 41 Cb 0.00 -1.28 0.03 0.00 -0.02 0.00 0.00 41.12 39.85 2dm1 n ASP 41 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 2dm1 n GLN 42 N 1.72 0.73 0.00 -1.24 7.27 -1.26 -2.32 117.38 122.29 2dm1 n GLN 42 Ca 0.14 0.27 0.00 0.00 0.07 0.00 0.00 57.00 57.48 2dm1 n GLN 42 Cb 0.27 -1.79 0.00 0.00 2.41 0.00 0.00 30.24 31.13 2dm1 n GLN 42 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2dm1 n GLY 43 N 1.60 1.39 3.66 1.69 0.00 -1.26 -4.92 105.19 107.34 2dm1 n GLY 43 Ca 0.11 -0.01 -0.58 0.00 0.00 0.00 0.00 46.02 45.54 2dm1 n GLY 43 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2dm1 n TRP 44 N 0.00 1.91 -3.82 1.61 7.02 -0.98 -4.22 117.44 118.97 2dm1 n TRP 44 Ca 0.00 0.61 -0.22 0.00 -1.02 0.00 0.00 57.50 56.87 2dm1 n TRP 44 Cb 0.00 -2.43 -0.05 0.00 -2.42 0.00 0.00 31.31 26.42 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 4.06 2.72 -0.23 -5.99 0.51 -0.01 -4.75 118.94 115.25 2dm1 s TRP 45 Ca 1.02 -0.46 0.01 0.00 -2.12 0.00 0.00 56.10 54.55 2dm1 s TRP 45 Cb -1.14 -1.98 0.05 0.00 -0.81 0.00 0.00 33.47 29.60 2dm1 s TRP 45 CO 0.66 0.07 -0.08 0.21 -0.51 0.00 0.00 176.95 177.31 2dm1 s LYS 46 N -4.01 1.84 0.00 4.98 2.20 -1.07 -1.78 119.74 121.90 2dm1 s LYS 46 Ca 0.44 -1.00 0.00 0.00 -0.36 0.00 0.00 55.97 55.04 2dm1 s LYS 46 Cb -0.02 -2.59 0.00 0.00 -1.51 0.00 0.00 37.83 33.71 2dm1 s LYS 46 CO 0.26 -0.54 0.00 0.41 -0.36 0.00 0.00 175.35 175.11 2dm1 n GLY 47 N 4.64 5.31 3.65 5.54 0.00 -1.25 -0.80 105.19 122.27 2dm1 n GLY 47 Ca -0.13 -1.42 -0.00 0.00 0.00 0.00 0.00 46.02 44.47 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 3.26 0.20 -0.23 1.61 2.12 -1.25 -4.16 118.70 120.25 2dm1 s GLU 48 Ca 0.00 0.34 -0.21 0.00 0.36 0.00 0.00 54.97 55.47 2dm1 s GLU 48 Cb 0.00 0.04 0.06 0.00 0.26 0.00 0.00 34.13 34.49 2dm1 s GLU 48 CO 0.00 -0.04 0.61 -0.08 -0.54 0.00 0.00 175.26 175.21 2dm1 s THR 49 N 1.13 -0.00 -1.56 -1.70 -1.32 -0.87 -3.73 115.64 107.59 2dm1 s THR 49 Ca -0.08 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.38 2dm1 s THR 49 Cb -0.03 -0.86 0.00 0.00 -1.51 0.00 0.00 72.50 70.11 2dm1 s THR 49 CO -0.12 0.00 0.28 0.59 -2.21 0.00 0.00 174.62 173.16 2dm1 n ASN 50 N 2.88 -5.71 -1.78 8.08 3.02 -1.26 -1.87 115.26 118.61 2dm1 n ASN 50 Ca -0.14 -0.14 -0.14 0.00 -0.03 0.00 0.00 54.58 54.13 2dm1 n ASN 50 Cb 0.56 -4.65 0.01 0.00 -0.61 0.00 0.00 39.78 35.09 2dm1 n ASN 50 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dm1 n GLY 51 N -1.24 -0.12 2.93 7.41 0.00 -1.26 -5.01 105.19 107.89 2dm1 n GLY 51 Ca -0.17 -0.26 -0.25 0.00 0.00 0.00 0.00 46.02 45.34 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 -5.00 1.37 -0.01 1.61 0.52 -0.78 -5.14 118.95 111.52 2dm1 s ARG 52 Ca 0.11 -0.24 0.08 0.00 -0.52 0.00 0.00 55.73 55.16 2dm1 s ARG 52 Cb -0.05 -1.34 -0.02 0.00 0.52 0.00 0.00 34.95 34.06 2dm1 s ARG 52 CO 0.13 -0.14 -0.25 0.42 0.02 0.00 0.00 175.30 175.48 2dm1 s ILE 53 N 1.26 2.14 -0.97 1.52 1.01 -1.26 -2.05 121.20 122.85 2dm1 s ILE 53 Ca -0.04 -1.15 0.00 0.00 0.00 0.00 0.00 60.65 59.46 2dm1 s ILE 53 Cb -0.14 -1.76 0.00 0.00 0.01 0.00 0.00 42.46 40.57 2dm1 s ILE 53 CO -0.03 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.06 2dm1 n GLY 54 N 2.28 -0.72 3.21 6.18 0.00 -1.26 -4.86 105.19 110.02 2dm1 n GLY 54 Ca -0.16 -0.42 -0.34 0.00 0.00 0.00 0.00 46.02 45.10 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 -3.81 2.95 0.03 1.61 0.52 -0.38 -3.96 118.94 115.90 2dm1 s TRP 55 Ca 0.00 -1.38 0.06 0.00 0.02 0.00 0.00 56.10 54.81 2dm1 s TRP 55 Cb 0.00 -2.03 -0.02 0.00 -1.15 0.00 0.00 33.47 30.26 2dm1 s TRP 55 CO 0.00 -0.69 -0.18 -0.59 0.02 0.00 0.00 176.95 175.51 2dm1 s PHE 56 N 1.37 1.61 1.06 -1.98 -0.71 -0.73 -1.63 117.98 116.96 2dm1 s PHE 56 Ca 0.03 -0.35 -0.14 0.00 -1.04 0.00 0.00 56.93 55.43 2dm1 s PHE 56 Cb -0.15 -0.98 0.22 0.00 -1.21 0.00 0.00 43.02 40.91 2dm1 s PHE 56 CO -0.06 0.05 1.10 -1.25 -1.34 0.00 0.00 175.22 173.72 2dm1 s PRO 57 N -1.00 -0.07 -0.18 1.99 0.04 -1.26 -0.83 135.00 133.69 2dm1 s PRO 57 Ca 0.06 0.35 0.09 0.00 0.04 0.00 0.00 61.00 61.54 2dm1 s PRO 57 Cb -0.08 -1.69 -0.17 0.00 0.04 0.00 0.00 34.50 32.59 2dm1 s PRO 57 CO 0.01 -3.03 -0.04 -1.13 0.04 0.00 0.00 177.00 172.85 2dm1 n SER 58 N -4.35 1.57 0.29 6.66 3.41 -1.26 -4.30 113.62 115.63 2dm1 n SER 58 Ca 0.07 -0.05 0.19 0.00 -0.26 0.00 0.00 58.87 58.82 2dm1 n SER 58 Cb 0.58 0.40 1.01 0.00 -0.26 0.00 0.00 64.21 65.94 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 0.00 0.00 6.66 1.35 -1.95 0.18 112.91 119.15 2dm1 h THR 59 Ca -0.45 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 2dm1 h THR 59 Cb 1.88 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 69.13 2dm1 h THR 59 CO -0.01 0.00 -1.02 -1.22 -0.25 0.00 0.00 175.52 173.01 2dm1 n TYR 60 N -2.82 0.29 -4.46 4.73 4.01 -1.26 -4.93 117.16 112.72 2dm1 n TYR 60 Ca -0.02 0.08 -0.24 0.00 -0.16 0.00 0.00 57.90 57.56 2dm1 n TYR 60 Cb 0.08 -0.46 -0.10 0.00 -0.31 0.00 0.00 39.34 38.55 2dm1 n TYR 60 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 2dm1 s VAL 61 N -3.20 2.40 -0.19 -0.72 -7.23 0.62 -2.14 120.40 109.94 2dm1 s VAL 61 Ca 0.03 -2.38 0.01 0.00 -1.81 0.00 0.00 61.98 57.83 2dm1 s VAL 61 Cb 0.14 -2.29 0.03 0.00 0.56 0.00 0.00 36.38 34.82 2dm1 s VAL 61 CO 0.80 -0.41 -0.16 -0.70 -0.31 0.00 0.00 175.10 174.33 2dm1 s GLU 62 N -3.53 2.54 -0.92 4.82 2.56 -0.22 -4.84 118.70 119.11 2dm1 s GLU 62 Ca 0.29 -0.83 -0.25 0.00 0.00 0.00 0.00 54.97 54.19 2dm1 s GLU 62 Cb -0.04 -2.47 -0.07 0.00 2.00 0.00 0.00 34.13 33.55 2dm1 s GLU 62 CO 0.14 -0.30 2.02 -1.21 -0.56 0.00 0.00 175.26 175.35 2dm1 s GLU 63 N 1.33 2.37 0.11 4.30 2.02 -1.26 -0.64 118.70 126.93 2dm1 s GLU 63 Ca 0.02 -0.26 -0.31 0.00 0.02 0.00 0.00 54.97 54.44 2dm1 s GLU 63 Cb -0.14 -5.04 -0.08 0.00 0.10 0.00 0.00 34.13 28.97 2dm1 s GLU 63 CO -0.11 -3.65 1.47 -1.83 0.02 0.00 0.00 175.26 171.17 2dm1 s GLU 64 N 7.28 4.27 0.00 1.61 -1.05 -0.99 -4.94 118.70 124.88 2dm1 s GLU 64 Ca 0.74 2.17 0.00 0.00 -0.15 0.00 0.00 54.97 57.73 2dm1 s GLU 64 Cb -0.07 -3.30 0.00 0.00 -0.44 0.00 0.00 34.13 30.32 2dm1 s GLU 64 CO 0.02 -0.54 0.00 0.41 0.95 0.00 0.00 175.26 176.10 2dm1 n GLY 65 N 3.65 3.91 3.33 -3.83 0.00 -1.26 -4.53 105.19 106.45 2dm1 n GLY 65 Ca 0.13 -0.46 -0.38 0.00 0.00 0.00 0.00 46.02 45.31 2dm1 n GLY 65 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2dm1 n ILE 66 N 0.00 1.00 -4.90 -0.61 -0.00 -1.26 -4.99 119.36 108.60 2dm1 n ILE 66 Ca 0.00 -0.47 -0.27 0.00 -0.00 0.00 0.00 62.75 62.01 2dm1 n ILE 66 Cb 0.00 -0.36 -0.16 0.00 -0.00 0.00 0.00 39.64 39.12 2dm1 n ILE 66 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.55 174.97 2dm1 s GLN 67 N -1.85 2.07 0.68 6.28 2.00 -1.26 -5.14 119.66 122.44 2dm1 s GLN 67 Ca 0.60 -0.65 -0.10 0.00 -2.00 0.00 0.00 55.36 53.21 2dm1 s GLN 67 Cb -0.41 -1.72 0.01 0.00 0.80 0.00 0.00 33.01 31.70 2dm1 s GLN 67 CO 0.63 0.20 1.05 -1.12 -0.50 0.00 0.00 175.29 175.56 2dm1 s SER 68 N 0.21 5.48 0.00 6.67 0.01 -1.26 -5.06 113.70 119.74 2dm1 s SER 68 Ca -0.09 1.04 0.00 0.00 1.31 0.00 0.00 55.95 58.21 2dm1 s SER 68 Cb -0.14 -1.88 0.00 0.00 0.21 0.00 0.00 66.02 64.21 2dm1 s SER 68 CO 0.04 -1.28 0.00 0.61 0.41 0.00 0.00 173.24 173.02 2dm1 n GLY 69 N -2.91 1.45 3.60 3.44 0.00 -1.26 -5.11 105.19 104.39 2dm1 n GLY 69 Ca 0.06 -0.66 -0.43 0.00 0.00 0.00 0.00 46.02 45.00 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 0.86 3.38 -0.12 1.61 0.04 -1.26 -4.87 135.00 134.64 2dm1 s PRO 70 Ca 0.00 1.30 -0.15 0.00 0.04 0.00 0.00 61.00 62.19 2dm1 s PRO 70 Cb 0.00 -4.16 -0.26 0.00 0.04 0.00 0.00 34.50 30.12 2dm1 s PRO 70 CO 0.00 -1.80 0.49 0.66 0.04 0.00 0.00 177.00 176.38 2dm1 h SER 71 N 12.38 0.34 -4.18 6.66 4.64 -2.04 -3.46 113.55 127.89 2dm1 h SER 71 Ca -0.32 -0.83 -0.51 0.00 -0.47 0.00 0.00 61.79 59.66 2dm1 h SER 71 Cb 1.15 -0.11 0.10 0.00 -0.31 0.00 0.00 62.40 63.24 2dm1 h SER 71 CO 1.05 1.64 0.39 -0.94 -0.87 0.00 0.00 176.83 178.09 2dm1 s SER 72 N -7.01 5.12 0.00 4.97 1.04 -1.26 -5.35 113.70 111.22 2dm1 s SER 72 Ca -0.21 2.07 0.00 0.00 0.48 0.00 0.00 55.95 58.28 2dm1 s SER 72 Cb 0.05 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.61 2dm1 s SER 72 CO 0.74 -1.62 0.00 0.61 0.98 0.00 0.00 173.24 173.95