#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 7.09 -1.79 1.61 0.01 -1.26 -4.10 113.70 115.27 2dm1 s SER 2 Ca 0.00 1.32 -0.17 0.00 1.31 0.00 0.00 55.95 58.41 2dm1 s SER 2 Cb 0.00 -2.38 0.17 0.00 0.21 0.00 0.00 66.02 64.02 2dm1 s SER 2 CO 0.00 0.23 0.46 -1.20 0.41 0.00 0.00 173.24 173.14 2dm1 n SER 3 N 1.52 -1.22 -3.51 2.44 7.64 -1.26 -1.62 113.62 117.61 2dm1 n SER 3 Ca -0.08 -1.24 -0.15 0.00 1.01 0.00 0.00 58.87 58.41 2dm1 n SER 3 Cb 0.51 -1.69 0.00 0.00 -1.01 0.00 0.00 64.21 62.01 2dm1 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dm1 n GLY 4 N -1.47 -1.29 3.41 0.23 0.00 -1.26 -5.01 105.19 99.81 2dm1 n GLY 4 Ca 0.00 0.55 -0.08 0.00 0.00 0.00 0.00 46.02 46.50 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 -3.00 -0.64 0.04 1.61 0.01 -0.64 -5.02 113.70 106.06 2dm1 s SER 5 Ca 0.00 1.16 0.01 0.00 1.31 0.00 0.00 55.95 58.43 2dm1 s SER 5 Cb -0.00 1.26 -0.04 0.00 0.21 0.00 0.00 66.02 67.45 2dm1 s SER 5 CO 0.84 -0.22 0.11 -0.55 0.41 0.00 0.00 173.24 173.83 2dm1 s SER 6 N 1.94 5.76 0.00 2.44 0.15 -1.26 -3.99 113.70 118.74 2dm1 s SER 6 Ca -0.07 0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.69 2dm1 s SER 6 Cb -0.09 -1.64 0.00 0.00 -1.71 0.00 0.00 66.02 62.58 2dm1 s SER 6 CO -0.15 0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.11 2dm1 n GLY 7 N 0.72 0.95 0.00 9.45 0.00 -1.26 -5.12 105.19 109.93 2dm1 n GLY 7 Ca -0.10 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.86 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 2.96 -1.69 3.25 -0.02 0.00 -1.26 -5.02 105.19 103.42 2dm1 n GLY 8 Ca 0.00 0.62 -0.31 0.00 0.00 0.00 0.00 46.02 46.32 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 0.00 2.03 0.18 2.61 -4.23 -1.26 -0.96 115.64 114.00 2dm1 s THR 9 Ca 0.00 -1.04 0.10 0.00 -1.18 0.00 0.00 61.69 59.56 2dm1 s THR 9 Cb 0.00 -1.72 -0.04 0.00 1.34 0.00 0.00 72.50 72.08 2dm1 s THR 9 CO 0.00 0.56 -0.15 0.00 -0.54 0.00 0.00 174.62 174.49 2dm1 s ALA 10 N -0.07 2.78 -0.27 3.99 0.00 0.50 -3.60 121.76 125.09 2dm1 s ALA 10 Ca -0.06 -1.53 -0.01 0.00 0.00 0.00 0.00 51.96 50.36 2dm1 s ALA 10 Cb -0.14 -0.59 0.04 0.00 0.00 0.00 0.00 23.12 22.43 2dm1 s ALA 10 CO 0.04 0.46 -0.04 0.08 0.00 0.00 0.00 175.76 176.30 2dm1 s VAL 11 N -1.66 2.87 -0.20 0.00 1.01 -0.59 -1.56 120.40 120.26 2dm1 s VAL 11 Ca 0.23 -1.18 -0.28 0.00 0.00 0.00 0.00 61.98 60.75 2dm1 s VAL 11 Cb -0.09 -2.54 -0.06 0.00 0.00 0.00 0.00 36.38 33.70 2dm1 s VAL 11 CO 0.13 0.08 2.21 0.00 0.00 0.00 0.00 175.10 177.52 2dm1 n ALA 12 N 4.64 1.76 0.37 5.51 0.00 -1.18 -2.51 120.51 129.09 2dm1 n ALA 12 Ca -0.15 -0.22 0.12 0.00 0.00 0.00 0.00 53.44 53.19 2dm1 n ALA 12 Cb 0.45 -2.90 0.22 0.00 0.00 0.00 0.00 19.45 17.23 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 14.71 0.00 -4.18 0.00 2.47 -1.71 -1.86 114.38 123.82 2dm1 h ARG 13 Ca -0.41 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.18 2dm1 h ARG 13 Cb 1.24 0.00 -0.15 0.00 -1.65 0.00 0.00 29.97 29.42 2dm1 h ARG 13 CO 0.96 0.00 -0.58 0.71 0.56 0.00 0.00 179.97 181.62 2dm1 s TYR 14 N -3.19 0.55 0.21 3.04 2.02 -1.22 -4.92 117.35 113.84 2dm1 s TYR 14 Ca 0.07 -1.00 -0.16 0.00 -0.37 0.00 0.00 57.07 55.61 2dm1 s TYR 14 Cb 0.09 -0.32 -0.08 0.00 -0.40 0.00 0.00 41.96 41.25 2dm1 s TYR 14 CO 0.67 -0.49 0.65 0.54 -1.57 0.00 0.00 175.55 175.35 2dm1 s ASN 15 N -2.95 6.90 -0.07 2.29 4.22 -1.26 -4.21 114.94 119.85 2dm1 s ASN 15 Ca 0.13 1.25 -0.03 0.00 -2.14 0.00 0.00 52.86 52.07 2dm1 s ASN 15 Cb 0.07 -2.35 0.04 0.00 1.28 0.00 0.00 41.25 40.28 2dm1 s ASN 15 CO -0.05 0.01 0.14 0.12 -2.04 0.00 0.00 177.10 175.27 2dm1 s PHE 16 N -1.60 -0.13 -0.60 1.54 5.36 0.11 -4.97 117.98 117.69 2dm1 s PHE 16 Ca 0.43 0.50 -0.19 0.00 -0.96 0.00 0.00 56.93 56.71 2dm1 s PHE 16 Cb -0.15 -0.23 0.10 0.00 -0.34 0.00 0.00 43.02 42.40 2dm1 s PHE 16 CO 0.20 -0.22 0.74 0.00 -1.46 0.00 0.00 175.22 174.48 2dm1 s ALA 17 N 1.84 3.37 -0.88 11.12 0.00 -1.26 -1.39 121.76 134.55 2dm1 s ALA 17 Ca -0.01 -2.15 -0.23 0.00 0.00 0.00 0.00 51.96 49.57 2dm1 s ALA 17 Cb -0.12 -3.57 -0.22 0.00 0.00 0.00 0.00 23.12 19.21 2dm1 s ALA 17 CO -0.05 -2.40 2.27 0.00 0.00 0.00 0.00 175.76 175.59 2dm1 n ALA 18 N 6.52 0.43 -0.31 0.00 0.00 -1.26 -4.73 120.51 121.16 2dm1 n ALA 18 Ca -0.09 -0.36 0.06 0.00 0.00 0.00 0.00 53.44 53.05 2dm1 n ALA 18 Cb 0.43 -2.03 0.21 0.00 0.00 0.00 0.00 19.45 18.05 2dm1 n ALA 18 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2dm1 h ARG 19 N 10.40 0.77 -5.52 0.00 0.11 -1.93 -3.43 114.38 114.78 2dm1 h ARG 19 Ca -0.03 -0.05 -0.64 0.00 0.10 0.00 0.00 59.98 59.37 2dm1 h ARG 19 Cb 1.12 -0.17 -0.10 0.00 1.11 0.00 0.00 29.97 31.93 2dm1 h ARG 19 CO 1.28 0.51 -0.46 -0.51 0.10 0.00 0.00 179.97 180.89 2dm1 s ASP 20 N -5.57 4.29 -0.00 0.08 1.11 -1.26 -5.06 116.67 110.26 2dm1 s ASP 20 Ca -0.12 -1.45 -0.25 0.00 0.18 0.00 0.00 52.55 50.90 2dm1 s ASP 20 Cb 0.21 0.32 -0.19 0.00 1.07 0.00 0.00 42.92 44.33 2dm1 s ASP 20 CO 0.79 -0.87 1.30 0.24 1.18 0.00 0.00 175.17 177.81 2dm1 h MET 21 N 1.21 -0.08 -0.54 8.23 2.86 -2.02 -3.22 114.93 121.37 2dm1 h MET 21 Ca -0.42 0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.32 2dm1 h MET 21 Cb 1.30 0.02 -0.08 0.00 0.06 0.00 0.00 31.60 32.90 2dm1 h MET 21 CO 0.69 0.31 0.12 0.07 1.06 0.00 0.00 176.91 179.17 2dm1 h ARG 22 N -0.49 0.25 -6.69 1.72 0.11 -1.97 -3.43 114.38 103.89 2dm1 h ARG 22 Ca -0.01 -0.02 -0.53 0.00 0.10 0.00 0.00 59.98 59.52 2dm1 h ARG 22 Cb 0.43 -0.06 0.22 0.00 1.11 0.00 0.00 29.97 31.67 2dm1 h ARG 22 CO 0.01 0.17 -0.74 0.39 0.10 0.00 0.00 179.97 179.91 2dm1 n GLU 23 N -5.10 -0.27 -4.27 0.08 -0.58 -1.22 -2.02 120.64 107.26 2dm1 n GLU 23 Ca 0.07 -0.04 -0.33 0.00 -0.42 0.00 0.00 57.16 56.44 2dm1 n GLU 23 Cb 0.27 -1.75 -0.16 0.00 -0.57 0.00 0.00 31.44 29.23 2dm1 n GLU 23 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 2dm1 s LEU 24 N 0.02 2.17 0.21 -4.62 2.96 0.48 -4.46 118.68 115.45 2dm1 s LEU 24 Ca 0.55 -0.62 -0.30 0.00 -0.22 0.00 0.00 54.13 53.54 2dm1 s LEU 24 Cb -0.21 -1.48 -0.09 0.00 0.50 0.00 0.00 46.19 44.91 2dm1 s LEU 24 CO 0.69 0.02 1.24 -0.94 -1.32 0.00 0.00 176.35 176.05 2dm1 s SER 25 N 1.16 7.00 -0.11 3.68 1.04 -1.26 -4.59 113.70 120.62 2dm1 s SER 25 Ca 0.01 2.34 0.03 0.00 0.48 0.00 0.00 55.95 58.81 2dm1 s SER 25 Cb -0.14 -2.61 0.01 0.00 0.10 0.00 0.00 66.02 63.38 2dm1 s SER 25 CO -0.09 -0.43 -0.20 -0.76 0.98 0.00 0.00 173.24 172.74 2dm1 s LEU 26 N -0.42 1.97 -0.13 2.42 1.43 -0.49 -4.94 118.68 118.52 2dm1 s LEU 26 Ca 0.53 -0.52 -0.04 0.00 -1.03 0.00 0.00 54.13 53.07 2dm1 s LEU 26 Cb -0.35 -1.29 -0.03 0.00 0.03 0.00 0.00 46.19 44.55 2dm1 s LEU 26 CO 0.39 0.10 0.02 -0.60 0.23 0.00 0.00 176.35 176.49 2dm1 s ARG 27 N 0.62 3.50 -0.48 1.70 3.52 -1.26 0.03 118.95 126.58 2dm1 s ARG 27 Ca -0.13 -0.39 -0.43 0.00 -0.13 0.00 0.00 55.73 54.65 2dm1 s ARG 27 Cb -0.17 -2.98 -0.18 0.00 -1.56 0.00 0.00 34.95 30.06 2dm1 s ARG 27 CO 0.04 0.46 1.97 0.39 -0.81 0.00 0.00 175.30 177.35 2dm1 n GLU 28 N 2.90 0.00 -0.55 5.12 1.02 -1.26 0.30 120.64 128.17 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 0.53 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.51 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 6.62 1.17 3.48 0.62 0.00 -0.70 -5.03 105.19 111.36 2dm1 n GLY 29 Ca 0.49 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.35 6.12 -0.15 1.61 1.11 0.15 -4.88 116.67 118.28 2dm1 s ASP 30 Ca 0.00 -0.71 -0.29 0.00 0.18 0.00 0.00 52.55 51.73 2dm1 s ASP 30 Cb 0.00 -2.17 -0.03 0.00 1.07 0.00 0.00 42.92 41.79 2dm1 s ASP 30 CO 0.00 -0.43 1.48 -0.69 1.18 0.00 0.00 175.17 176.72 2dm1 s VAL 31 N 1.81 3.89 -0.11 -1.27 1.01 -1.26 -3.12 120.40 121.34 2dm1 s VAL 31 Ca 0.07 1.06 0.01 0.00 0.00 0.00 0.00 61.98 63.12 2dm1 s VAL 31 Cb -0.18 -3.76 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 2dm1 s VAL 31 CO 0.11 -0.18 -0.14 -0.69 0.00 0.00 0.00 175.10 174.20 2dm1 s VAL 32 N 4.18 3.03 -0.45 2.92 1.01 -0.60 -4.43 120.40 126.06 2dm1 s VAL 32 Ca 0.65 -0.68 -0.18 0.00 0.00 0.00 0.00 61.98 61.77 2dm1 s VAL 32 Cb -0.26 -2.25 0.03 0.00 0.00 0.00 0.00 36.38 33.90 2dm1 s VAL 32 CO 0.24 0.54 0.52 -0.13 0.00 0.00 0.00 175.10 176.26 2dm1 s ARG 33 N 0.14 3.13 -0.29 2.72 1.81 -1.13 -0.37 118.95 124.96 2dm1 s ARG 33 Ca -0.07 -0.76 -0.28 0.00 -1.72 0.00 0.00 55.73 52.90 2dm1 s ARG 33 Cb -0.15 -4.01 -0.03 0.00 -0.45 0.00 0.00 34.95 30.31 2dm1 s ARG 33 CO 0.05 -0.99 2.01 0.42 -0.68 0.00 0.00 175.30 176.12 2dm1 s ILE 34 N 2.35 3.25 -0.17 1.52 1.01 -0.14 -3.56 121.20 125.45 2dm1 s ILE 34 Ca 0.14 0.24 -0.14 0.00 0.00 0.00 0.00 60.65 60.90 2dm1 s ILE 34 Cb -0.18 -3.34 -0.08 0.00 0.01 0.00 0.00 42.46 38.87 2dm1 s ILE 34 CO 0.14 -0.23 -0.10 -1.22 0.00 0.00 0.00 174.94 173.53 2dm1 n TYR 35 N 11.21 0.80 -4.67 3.97 4.01 -0.62 -4.88 117.16 126.98 2dm1 n TYR 35 Ca 0.26 0.35 -0.30 0.00 -0.16 0.00 0.00 57.90 58.05 2dm1 n TYR 35 Cb 0.46 -0.85 -0.14 0.00 -0.31 0.00 0.00 39.34 38.51 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 -6.18 3.37 -0.17 7.72 0.01 -1.15 -4.89 113.70 112.41 2dm1 s SER 36 Ca -0.22 -0.61 -0.05 0.00 1.31 0.00 0.00 55.95 56.39 2dm1 s SER 36 Cb 0.04 -0.34 -0.09 0.00 0.21 0.00 0.00 66.02 65.84 2dm1 s SER 36 CO 0.36 0.23 -0.19 0.54 0.41 0.00 0.00 173.24 174.59 2dm1 n ARG 37 N 1.42 0.40 -2.74 12.44 1.74 -1.26 -2.35 116.66 126.30 2dm1 n ARG 37 Ca -0.17 0.14 -0.43 0.00 -0.77 0.00 0.00 57.85 56.62 2dm1 n ARG 37 Cb 0.52 -1.22 -0.03 0.00 -1.02 0.00 0.00 32.46 30.71 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 -2.33 4.74 0.00 0.55 -1.09 -1.26 -4.67 121.20 117.14 2dm1 s ILE 38 Ca -0.24 1.88 0.00 0.00 -2.23 0.00 0.00 60.65 60.06 2dm1 s ILE 38 Cb 0.08 -4.25 0.00 0.00 -1.58 0.00 0.00 42.46 36.71 2dm1 s ILE 38 CO 0.35 -0.13 0.00 0.61 -1.23 0.00 0.00 174.94 174.53 2dm1 n GLY 39 N 3.44 4.83 7.00 6.18 0.00 -1.26 -5.05 105.19 120.34 2dm1 n GLY 39 Ca 0.10 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.88 -0.99 3.54 -0.02 0.00 -1.26 -4.68 105.19 99.90 2dm1 n GLY 40 Ca 0.00 -1.19 -0.35 0.00 0.00 0.00 0.00 46.02 44.47 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 -0.78 -0.42 -4.70 1.61 9.92 -1.26 -4.86 116.55 116.05 2dm1 n ASP 41 Ca 0.00 0.59 -0.43 0.00 -0.53 0.00 0.00 54.79 54.42 2dm1 n ASP 41 Cb 0.00 -1.32 -0.02 0.00 -0.64 0.00 0.00 41.12 39.15 2dm1 n ASP 41 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2dm1 n GLN 42 N -1.52 2.26 0.00 -1.24 10.64 -1.26 -2.23 117.38 124.03 2dm1 n GLN 42 Ca 0.11 0.80 0.00 0.00 -1.83 0.00 0.00 57.00 56.08 2dm1 n GLN 42 Cb 0.50 -2.48 0.00 0.00 -0.86 0.00 0.00 30.24 27.40 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 1.74 1.26 3.42 2.61 0.00 -1.26 -4.96 105.19 107.99 2dm1 n GLY 43 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.00 -4.33 1.61 7.02 -0.95 -4.56 117.44 115.23 2dm1 n TRP 44 Ca 0.00 0.55 -0.17 0.00 -1.02 0.00 0.00 57.50 56.85 2dm1 n TRP 44 Cb 0.00 -1.92 -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 -1.62 1.57 -0.29 -5.99 0.51 -0.96 -4.71 118.94 107.45 2dm1 s TRP 45 Ca 0.63 -1.21 -0.01 0.00 -2.12 0.00 0.00 56.10 53.39 2dm1 s TRP 45 Cb -0.56 -0.91 0.05 0.00 -0.81 0.00 0.00 33.47 31.24 2dm1 s TRP 45 CO 0.59 -0.36 -0.03 0.21 -0.51 0.00 0.00 176.95 176.85 2dm1 s LYS 46 N -3.98 2.49 0.00 4.98 2.20 -0.99 -1.86 119.74 122.58 2dm1 s LYS 46 Ca 0.37 -1.22 0.00 0.00 -0.36 0.00 0.00 55.97 54.76 2dm1 s LYS 46 Cb 0.07 -3.11 0.00 0.00 -1.51 0.00 0.00 37.83 33.28 2dm1 s LYS 46 CO 0.14 -0.57 0.00 0.41 -0.36 0.00 0.00 175.35 174.98 2dm1 n GLY 47 N 4.61 6.86 3.43 5.54 0.00 -1.22 -1.59 105.19 122.82 2dm1 n GLY 47 Ca -0.14 -1.88 -0.14 0.00 0.00 0.00 0.00 46.02 43.86 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 0.73 0.72 -0.29 1.61 -6.30 -1.23 -3.61 118.70 110.32 2dm1 s GLU 48 Ca 0.00 0.53 -0.17 0.00 -2.50 0.00 0.00 54.97 52.84 2dm1 s GLU 48 Cb 0.00 0.34 0.14 0.00 0.00 0.00 0.00 34.13 34.61 2dm1 s GLU 48 CO 0.00 -0.14 0.95 -0.08 0.02 0.00 0.00 175.26 176.02 2dm1 s THR 49 N -0.21 0.00 -1.43 -1.70 -1.32 -0.92 -2.83 115.64 107.23 2dm1 s THR 49 Ca -0.04 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.43 2dm1 s THR 49 Cb -0.03 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.96 2dm1 s THR 49 CO 0.03 0.00 0.19 -3.20 -2.21 0.00 0.00 174.62 169.43 2dm1 n ASN 50 N 3.62 -5.24 -1.66 8.08 5.15 -1.26 -2.27 115.26 121.67 2dm1 n ASN 50 Ca -0.18 -0.10 -0.11 0.00 -0.60 0.00 0.00 54.58 53.59 2dm1 n ASN 50 Cb 0.58 -4.24 0.02 0.00 -0.53 0.00 0.00 39.78 35.61 2dm1 n ASN 50 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2dm1 n GLY 51 N -1.16 0.10 2.87 8.20 0.00 -1.26 -5.03 105.19 108.91 2dm1 n GLY 51 Ca -0.17 -0.32 -0.25 0.00 0.00 0.00 0.00 46.02 45.29 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 -5.16 1.20 -0.01 1.61 0.52 -0.96 -5.14 118.95 111.01 2dm1 s ARG 52 Ca 0.17 -0.15 0.07 0.00 -0.52 0.00 0.00 55.73 55.31 2dm1 s ARG 52 Cb -0.07 -1.32 -0.02 0.00 0.52 0.00 0.00 34.95 34.06 2dm1 s ARG 52 CO 0.20 -0.23 -0.24 0.42 0.02 0.00 0.00 175.30 175.47 2dm1 s ILE 53 N 1.62 2.26 -3.72 1.52 1.09 -1.26 -2.16 121.20 120.55 2dm1 s ILE 53 Ca 0.02 -1.10 0.00 0.00 -1.10 0.00 0.00 60.65 58.47 2dm1 s ILE 53 Cb -0.13 -1.82 0.00 0.00 -1.06 0.00 0.00 42.46 39.45 2dm1 s ILE 53 CO -0.06 0.53 0.00 0.61 -0.10 0.00 0.00 174.94 175.93 2dm1 n GLY 54 N 2.26 -1.12 3.71 6.18 0.00 -1.24 -4.77 105.19 110.21 2dm1 n GLY 54 Ca -0.16 -1.08 -0.39 0.00 0.00 0.00 0.00 46.02 44.39 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 -3.00 3.49 0.02 1.61 0.52 -0.85 -3.45 118.94 117.27 2dm1 s TRP 55 Ca 0.00 0.95 0.02 0.00 0.02 0.00 0.00 56.10 57.09 2dm1 s TRP 55 Cb 0.00 -2.65 -0.01 0.00 -1.15 0.00 0.00 33.47 29.66 2dm1 s TRP 55 CO 0.00 0.07 -0.08 -0.59 0.02 0.00 0.00 176.95 176.38 2dm1 s PHE 56 N 0.95 0.68 0.17 -1.98 -0.12 -0.78 -0.38 117.98 116.52 2dm1 s PHE 56 Ca 0.28 -0.26 -0.30 0.00 -0.05 0.00 0.00 56.93 56.59 2dm1 s PHE 56 Cb -0.16 -0.42 -0.08 0.00 -0.63 0.00 0.00 43.02 41.73 2dm1 s PHE 56 CO 0.12 -0.03 1.32 -1.25 -0.05 0.00 0.00 175.22 175.33 2dm1 s PRO 57 N -0.74 4.37 0.25 1.99 0.04 -1.26 -2.27 135.00 137.38 2dm1 s PRO 57 Ca -0.02 2.04 0.10 0.00 0.04 0.00 0.00 61.00 63.17 2dm1 s PRO 57 Cb -0.06 -3.22 0.27 0.00 0.04 0.00 0.00 34.50 31.54 2dm1 s PRO 57 CO 0.00 -0.30 1.56 0.66 0.04 0.00 0.00 177.00 178.96 2dm1 h SER 58 N 5.83 0.00 0.33 6.66 4.64 -1.90 -2.94 113.55 126.16 2dm1 h SER 58 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2dm1 h SER 58 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2dm1 h SER 58 CO 0.80 0.67 0.00 0.00 -0.87 0.00 0.00 176.83 177.43 2dm1 h THR 59 N 0.00 0.00 0.00 2.95 1.03 -1.93 -0.89 112.91 114.07 2dm1 h THR 59 Ca -0.01 -0.13 0.00 0.00 -0.01 0.00 0.00 66.41 66.26 2dm1 h THR 59 Cb 1.21 0.85 0.00 0.00 -1.07 0.00 0.00 68.15 69.14 2dm1 h THR 59 CO 0.09 0.00 -0.94 1.88 -0.01 0.00 0.00 175.52 176.53 2dm1 h TYR 60 N 0.00 0.00 -1.80 0.00 -1.99 -1.92 -3.47 116.97 107.79 2dm1 h TYR 60 Ca 0.00 0.00 -0.61 0.00 2.00 0.00 0.00 58.73 60.12 2dm1 h TYR 60 Cb 0.16 0.00 -0.12 0.00 2.00 0.00 0.00 36.73 38.77 2dm1 h TYR 60 CO 0.00 0.00 -0.62 0.14 -0.00 0.00 0.00 178.16 177.68 2dm1 s VAL 61 N -3.34 2.22 -0.03 -2.88 -7.23 -0.34 -1.82 120.40 106.98 2dm1 s VAL 61 Ca 0.00 -2.04 0.04 0.00 -1.81 0.00 0.00 61.98 58.18 2dm1 s VAL 61 Cb 0.10 -2.84 -0.01 0.00 0.56 0.00 0.00 36.38 34.19 2dm1 s VAL 61 CO 0.78 -0.11 -0.16 -0.70 -0.31 0.00 0.00 175.10 174.60 2dm1 s GLU 62 N -3.69 1.57 -0.89 4.82 2.56 -1.05 -4.88 118.70 117.15 2dm1 s GLU 62 Ca 0.35 -0.58 -0.20 0.00 0.00 0.00 0.00 54.97 54.54 2dm1 s GLU 62 Cb 0.05 -1.42 0.10 0.00 2.00 0.00 0.00 34.13 34.86 2dm1 s GLU 62 CO 0.18 0.27 1.16 -1.21 -0.56 0.00 0.00 175.26 175.09 2dm1 s GLU 63 N -0.08 3.49 1.04 4.30 2.02 -1.26 -1.55 118.70 126.67 2dm1 s GLU 63 Ca -0.01 -1.42 -0.22 0.00 0.02 0.00 0.00 54.97 53.34 2dm1 s GLU 63 Cb -0.10 -4.84 -0.03 0.00 0.10 0.00 0.00 34.13 29.26 2dm1 s GLU 63 CO 0.01 -1.87 -0.68 0.39 0.02 0.00 0.00 175.26 173.13 2dm1 n GLU 64 N 7.27 -0.90 -3.49 1.61 1.02 -1.24 -4.90 120.64 120.00 2dm1 n GLU 64 Ca 0.20 -0.26 -0.41 0.00 -0.02 0.00 0.00 57.16 56.66 2dm1 n GLU 64 Cb 0.49 -1.35 -0.10 0.00 -0.02 0.00 0.00 31.44 30.46 2dm1 n GLU 64 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2dm1 s GLY 65 N -1.45 1.98 0.33 0.62 0.00 -1.26 -4.95 107.32 102.59 2dm1 s GLY 65 Ca 0.44 -1.50 0.15 0.00 0.00 0.00 0.00 44.72 43.81 2dm1 s GLY 65 CO 0.62 0.85 1.45 1.39 0.00 0.00 0.00 173.10 177.41 2dm1 n ILE 66 N 5.14 -0.39 -1.51 0.90 5.41 -1.26 -4.52 119.36 123.13 2dm1 n ILE 66 Ca -0.12 1.90 -0.59 0.00 1.00 0.00 0.00 62.75 64.95 2dm1 n ILE 66 Cb 0.49 -3.01 -0.08 0.00 -0.71 0.00 0.00 39.64 36.32 2dm1 n ILE 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2dm1 n GLN 67 N -5.14 0.10 -3.80 0.38 10.64 -1.26 -4.92 117.38 113.38 2dm1 n GLN 67 Ca 0.32 0.03 -0.02 0.00 -1.83 0.00 0.00 57.00 55.50 2dm1 n GLN 67 Cb 1.07 -1.55 0.00 0.00 -0.86 0.00 0.00 30.24 28.91 2dm1 n GLN 67 CO 0.00 0.00 0.00 -1.12 -1.83 0.00 0.00 177.06 174.11 2dm1 s SER 68 N 0.12 -0.07 0.00 2.61 0.01 -1.26 -5.19 113.70 109.91 2dm1 s SER 68 Ca 0.91 -0.44 0.00 0.00 1.31 0.00 0.00 55.95 57.72 2dm1 s SER 68 Cb -1.25 0.41 0.00 0.00 0.21 0.00 0.00 66.02 65.39 2dm1 s SER 68 CO 0.57 -0.78 0.00 0.61 0.41 0.00 0.00 173.24 174.05 2dm1 n GLY 69 N -0.59 1.57 0.23 3.44 0.00 -1.26 -5.01 105.19 103.57 2dm1 n GLY 69 Ca -0.05 -0.98 -0.09 0.00 0.00 0.00 0.00 46.02 44.91 2dm1 n GLY 69 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dm1 h PRO 70 N 0.00 0.64 -6.99 1.61 0.13 -2.03 -3.46 132.00 121.89 2dm1 h PRO 70 Ca 0.00 -0.33 -0.59 0.00 -0.87 0.00 0.00 66.00 64.20 2dm1 h PRO 70 Cb 0.00 0.01 -0.29 0.00 0.13 0.00 0.00 31.00 30.85 2dm1 h PRO 70 CO 0.00 0.94 -0.88 0.45 -0.23 0.00 0.00 178.00 178.27 2dm1 n SER 71 N -4.03 -2.10 -4.55 1.44 2.88 -1.26 -4.73 113.62 101.28 2dm1 n SER 71 Ca -0.02 -1.15 -0.38 0.00 -1.33 0.00 0.00 58.87 56.00 2dm1 n SER 71 Cb 0.53 -2.12 -0.04 0.00 -0.75 0.00 0.00 64.21 61.84 2dm1 n SER 71 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dm1 n SER 72 N -2.60 2.27 0.00 -3.46 2.88 -1.26 -5.33 113.62 106.12 2dm1 n SER 72 Ca 0.04 -0.36 0.00 0.00 -1.33 0.00 0.00 58.87 57.22 2dm1 n SER 72 Cb 0.50 -1.53 0.00 0.00 -0.75 0.00 0.00 64.21 62.43 2dm1 n SER 72 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42