#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 -1.05 -4.43 1.61 3.41 -1.26 -4.97 113.62 106.93 2dm1 n SER 2 Ca 0.00 0.96 -0.21 0.00 -0.26 0.00 0.00 58.87 59.36 2dm1 n SER 2 Cb 0.00 -0.81 -0.11 0.00 -0.26 0.00 0.00 64.21 63.04 2dm1 n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dm1 s SER 3 N -0.84 2.17 0.00 4.04 0.01 -1.26 -5.16 113.70 112.67 2dm1 s SER 3 Ca 0.54 -1.38 0.00 0.00 1.31 0.00 0.00 55.95 56.42 2dm1 s SER 3 Cb -0.79 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 65.40 2dm1 s SER 3 CO 0.48 -0.63 0.00 0.61 0.41 0.00 0.00 173.24 174.11 2dm1 n GLY 4 N -0.65 4.29 3.56 3.44 0.00 -1.26 -5.07 105.19 109.50 2dm1 n GLY 4 Ca -0.02 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 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 1.00 6.27 0.36 1.61 0.15 -1.26 -5.00 113.70 116.83 2dm1 s SER 5 Ca 0.00 -0.26 0.07 0.00 0.70 0.00 0.00 55.95 56.46 2dm1 s SER 5 Cb 0.00 -2.55 -0.02 0.00 -1.71 0.00 0.00 66.02 61.74 2dm1 s SER 5 CO 0.00 -1.67 0.35 -0.44 1.20 0.00 0.00 173.24 172.68 2dm1 s SER 6 N 3.42 5.35 0.00 5.45 0.01 -1.26 -5.12 113.70 121.54 2dm1 s SER 6 Ca 0.37 -0.50 0.00 0.00 1.31 0.00 0.00 55.95 57.13 2dm1 s SER 6 Cb -0.08 -0.90 0.00 0.00 0.21 0.00 0.00 66.02 65.24 2dm1 s SER 6 CO 0.19 -0.45 0.00 0.61 0.41 0.00 0.00 173.24 174.00 2dm1 n GLY 7 N -1.47 2.78 0.00 3.44 0.00 -1.26 -5.12 105.19 103.56 2dm1 n GLY 7 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 3.49 -0.21 3.38 -0.02 0.00 -1.26 -5.09 105.19 105.48 2dm1 n GLY 8 Ca 0.00 0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 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 2.33 0.09 2.61 -4.23 -1.26 -2.09 115.64 113.08 2dm1 s THR 9 Ca 0.00 -1.44 0.04 0.00 -1.18 0.00 0.00 61.69 59.11 2dm1 s THR 9 Cb 0.00 -1.96 -0.03 0.00 1.34 0.00 0.00 72.50 71.85 2dm1 s THR 9 CO 0.00 0.28 -0.11 0.00 -0.54 0.00 0.00 174.62 174.25 2dm1 s ALA 10 N -0.90 1.11 -0.06 3.99 0.00 -0.30 -2.53 121.76 123.05 2dm1 s ALA 10 Ca 0.13 -1.12 0.05 0.00 0.00 0.00 0.00 51.96 51.02 2dm1 s ALA 10 Cb -0.10 -0.00 -0.01 0.00 0.00 0.00 0.00 23.12 23.01 2dm1 s ALA 10 CO 0.04 0.02 -0.23 0.54 0.00 0.00 0.00 175.76 176.12 2dm1 s VAL 11 N -2.09 1.94 -0.25 0.00 0.11 -1.05 0.47 120.40 119.53 2dm1 s VAL 11 Ca 0.03 -0.99 -0.29 0.00 -2.93 0.00 0.00 61.98 57.80 2dm1 s VAL 11 Cb -0.05 -1.65 -0.03 0.00 -1.53 0.00 0.00 36.38 33.12 2dm1 s VAL 11 CO 0.01 0.54 1.79 0.00 -3.33 0.00 0.00 175.10 174.11 2dm1 s ALA 12 N 0.00 3.05 -1.03 1.54 0.00 -0.48 -0.58 121.76 124.26 2dm1 s ALA 12 Ca -0.07 0.48 0.27 0.00 0.00 0.00 0.00 51.96 52.63 2dm1 s ALA 12 Cb -0.14 -3.95 0.88 0.00 0.00 0.00 0.00 23.12 19.91 2dm1 s ALA 12 CO 0.05 -2.32 1.67 0.54 0.00 0.00 0.00 175.76 175.70 2dm1 n ARG 13 N 8.13 0.03 -3.83 0.00 5.12 0.22 -2.46 116.66 123.85 2dm1 n ARG 13 Ca 0.22 -0.01 -0.12 0.00 -1.93 0.00 0.00 57.85 56.01 2dm1 n ARG 13 Cb 0.46 -1.50 -0.11 0.00 -1.16 0.00 0.00 32.46 30.15 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 -2.98 -0.09 0.60 -1.55 2.02 -1.13 -4.87 117.35 109.35 2dm1 s TYR 14 Ca 0.13 0.19 -0.18 0.00 -0.37 0.00 0.00 57.07 56.85 2dm1 s TYR 14 Cb 0.18 0.02 -0.03 0.00 -0.40 0.00 0.00 41.96 41.73 2dm1 s TYR 14 CO 0.61 -0.20 1.14 0.54 -1.57 0.00 0.00 175.55 176.07 2dm1 s ASN 15 N -0.66 5.35 -0.22 2.29 2.20 -1.26 -4.50 114.94 118.14 2dm1 s ASN 15 Ca -0.08 2.17 -0.09 0.00 -0.94 0.00 0.00 52.86 53.93 2dm1 s ASN 15 Cb -0.04 -2.58 0.09 0.00 -2.00 0.00 0.00 41.25 36.72 2dm1 s ASN 15 CO 0.01 -1.47 0.49 0.12 -2.94 0.00 0.00 177.10 173.30 2dm1 s PHE 16 N -1.92 -0.86 -0.72 1.54 5.36 -0.12 -4.89 117.98 116.36 2dm1 s PHE 16 Ca 0.72 1.66 -0.19 0.00 -0.96 0.00 0.00 56.93 58.16 2dm1 s PHE 16 Cb -0.24 0.41 0.12 0.00 -0.34 0.00 0.00 43.02 42.97 2dm1 s PHE 16 CO 0.33 -0.48 0.87 0.00 -1.46 0.00 0.00 175.22 174.48 2dm1 s ALA 17 N 2.21 3.43 -0.48 11.12 0.00 -1.26 -1.51 121.76 135.27 2dm1 s ALA 17 Ca -0.06 -2.43 -0.45 0.00 0.00 0.00 0.00 51.96 49.02 2dm1 s ALA 17 Cb -0.10 -3.72 -0.19 0.00 0.00 0.00 0.00 23.12 19.11 2dm1 s ALA 17 CO -0.15 -2.58 1.81 0.00 0.00 0.00 0.00 175.76 174.84 2dm1 n ALA 18 N 6.35 -0.69 -0.31 0.00 0.00 -1.26 -4.80 120.51 119.80 2dm1 n ALA 18 Ca 0.03 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.85 2dm1 n ALA 18 Cb 0.45 -2.01 0.18 0.00 0.00 0.00 0.00 19.45 18.08 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 6.67 1.14 -4.72 0.00 2.47 -1.94 -3.45 114.38 114.55 2dm1 h ARG 19 Ca -0.32 -0.07 -0.36 0.00 -1.26 0.00 0.00 59.98 57.97 2dm1 h ARG 19 Cb 1.38 -0.26 -0.14 0.00 -1.65 0.00 0.00 29.97 29.31 2dm1 h ARG 19 CO 1.02 0.75 -0.52 -0.51 0.56 0.00 0.00 179.97 181.27 2dm1 s ASP 20 N -6.17 1.00 0.18 7.04 1.01 -1.26 -5.05 116.67 113.43 2dm1 s ASP 20 Ca -0.12 -1.58 -0.13 0.00 0.71 0.00 0.00 52.55 51.43 2dm1 s ASP 20 Cb 0.18 0.49 0.15 0.00 1.01 0.00 0.00 42.92 44.75 2dm1 s ASP 20 CO 0.80 -0.99 1.78 0.24 0.21 0.00 0.00 175.17 177.21 2dm1 h MET 21 N 2.33 0.45 -0.90 8.23 2.86 -2.00 -1.97 114.93 123.92 2dm1 h MET 21 Ca -0.29 -0.03 0.21 0.00 -2.06 0.00 0.00 59.70 57.53 2dm1 h MET 21 Cb 1.24 -0.10 -0.12 0.00 0.06 0.00 0.00 31.60 32.68 2dm1 h MET 21 CO 0.43 0.30 0.42 0.00 1.06 0.00 0.00 176.91 179.12 2dm1 h ARG 22 N 0.46 0.44 0.00 1.72 3.08 -1.96 -3.41 114.38 114.70 2dm1 h ARG 22 Ca 0.23 -0.03 -0.31 0.00 0.07 0.00 0.00 59.98 59.94 2dm1 h ARG 22 Cb 0.17 -0.10 0.15 0.00 0.08 0.00 0.00 29.97 30.27 2dm1 h ARG 22 CO -0.18 0.29 0.12 0.39 -1.07 0.00 0.00 179.97 179.52 2dm1 n GLU 23 N -5.00 -2.46 -3.70 0.04 4.71 -0.74 -0.44 120.64 113.05 2dm1 n GLU 23 Ca 0.22 -1.39 -0.15 0.00 -0.01 0.00 0.00 57.16 55.82 2dm1 n GLU 23 Cb 0.63 -1.25 -0.15 0.00 -1.01 0.00 0.00 31.44 29.67 2dm1 n GLU 23 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 2dm1 s LEU 24 N 0.00 0.20 0.16 -4.62 2.96 -0.90 -4.27 118.68 112.20 2dm1 s LEU 24 Ca 0.56 0.33 -0.30 0.00 -0.22 0.00 0.00 54.13 54.50 2dm1 s LEU 24 Cb -0.05 0.33 -0.07 0.00 0.50 0.00 0.00 46.19 46.89 2dm1 s LEU 24 CO 0.42 -0.21 1.19 -0.44 -1.32 0.00 0.00 176.35 176.00 2dm1 s SER 25 N 1.90 7.09 -0.01 3.68 0.01 -1.26 -4.51 113.70 120.60 2dm1 s SER 25 Ca -0.01 2.18 0.03 0.00 1.31 0.00 0.00 55.95 59.45 2dm1 s SER 25 Cb -0.12 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.48 2dm1 s SER 25 CO -0.06 -0.39 -0.06 -0.76 0.41 0.00 0.00 173.24 172.38 2dm1 s LEU 26 N 0.07 3.19 0.00 2.44 2.01 -0.57 -4.92 118.68 120.89 2dm1 s LEU 26 Ca 0.54 -0.12 0.07 0.00 0.01 0.00 0.00 54.13 54.64 2dm1 s LEU 26 Cb -0.32 -1.80 -0.02 0.00 0.01 0.00 0.00 46.19 44.06 2dm1 s LEU 26 CO 0.35 0.30 -0.22 -0.60 1.01 0.00 0.00 176.35 177.18 2dm1 s ARG 27 N -1.32 1.71 -0.83 1.70 3.52 -1.26 -0.94 118.95 121.53 2dm1 s ARG 27 Ca 0.16 -0.85 -0.20 0.00 -0.13 0.00 0.00 55.73 54.71 2dm1 s ARG 27 Cb -0.11 -1.71 -0.19 0.00 -1.56 0.00 0.00 34.95 31.38 2dm1 s ARG 27 CO 0.07 0.46 2.19 0.39 -0.81 0.00 0.00 175.30 177.60 2dm1 n GLU 28 N 2.33 0.30 0.00 5.12 1.02 -1.26 0.12 120.64 128.28 2dm1 n GLU 28 Ca -0.16 -0.76 0.00 0.00 -0.02 0.00 0.00 57.16 56.22 2dm1 n GLU 28 Cb 0.53 -2.94 0.00 0.00 -0.02 0.00 0.00 31.44 29.00 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 6.21 1.26 3.65 0.62 0.00 -1.03 -5.06 105.19 110.85 2dm1 n GLY 29 Ca 0.47 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 1.95 -4.17 1.61 9.92 0.12 -4.76 116.55 121.22 2dm1 n ASP 30 Ca 0.00 1.11 -0.35 0.00 -0.53 0.00 0.00 54.79 55.02 2dm1 n ASP 30 Cb 0.00 -1.42 -0.14 0.00 -0.64 0.00 0.00 41.12 38.93 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 -1.19 2.94 0.15 2.53 1.01 -1.26 -1.38 120.40 123.20 2dm1 s VAL 31 Ca 0.60 -1.33 -0.06 0.00 0.00 0.00 0.00 61.98 61.19 2dm1 s VAL 31 Cb -0.56 -2.66 -0.06 0.00 0.00 0.00 0.00 36.38 33.10 2dm1 s VAL 31 CO 0.59 -0.05 0.41 -0.69 0.00 0.00 0.00 175.10 175.36 2dm1 s VAL 32 N 1.26 5.11 -0.36 2.92 1.01 0.18 -4.52 120.40 125.99 2dm1 s VAL 32 Ca -0.05 0.19 -0.06 0.00 0.00 0.00 0.00 61.98 62.06 2dm1 s VAL 32 Cb -0.19 -3.62 0.06 0.00 0.00 0.00 0.00 36.38 32.63 2dm1 s VAL 32 CO -0.02 0.05 0.14 -0.13 0.00 0.00 0.00 175.10 175.15 2dm1 s ARG 33 N -2.57 2.49 -0.45 2.72 0.52 -1.17 -1.15 118.95 119.32 2dm1 s ARG 33 Ca 0.41 -1.37 -0.27 0.00 -0.52 0.00 0.00 55.73 53.99 2dm1 s ARG 33 Cb -0.12 -3.52 -0.07 0.00 0.52 0.00 0.00 34.95 31.76 2dm1 s ARG 33 CO 0.23 -0.80 2.39 -0.89 0.02 0.00 0.00 175.30 176.25 2dm1 n ILE 34 N 4.77 -0.01 -0.06 1.52 5.41 -0.89 -3.73 119.36 126.38 2dm1 n ILE 34 Ca -0.10 -0.73 -0.05 0.00 1.00 0.00 0.00 62.75 62.87 2dm1 n ILE 34 Cb 0.43 -2.72 -0.05 0.00 -0.71 0.00 0.00 39.64 36.60 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 18.67 0.00 -3.31 1.39 0.05 -0.77 -3.46 116.97 129.54 2dm1 h TYR 35 Ca -0.27 0.00 -0.62 0.00 0.05 0.00 0.00 58.73 57.90 2dm1 h TYR 35 Cb 1.27 0.00 -0.34 0.00 1.01 0.00 0.00 36.73 38.67 2dm1 h TYR 35 CO 0.96 0.35 -0.85 0.45 -1.05 0.00 0.00 178.16 178.02 2dm1 s SER 36 N -5.80 2.62 -0.05 3.88 0.15 -1.17 -5.01 113.70 108.32 2dm1 s SER 36 Ca -0.07 -0.47 0.04 0.00 0.70 0.00 0.00 55.95 56.15 2dm1 s SER 36 Cb -0.01 -1.20 -0.25 0.00 -1.71 0.00 0.00 66.02 62.86 2dm1 s SER 36 CO 0.24 0.08 0.63 0.03 1.20 0.00 0.00 173.24 175.43 2dm1 h ARG 37 N 7.08 0.12 -3.08 5.44 3.08 -1.91 -3.22 114.38 121.89 2dm1 h ARG 37 Ca -0.27 -0.21 -0.74 0.00 0.07 0.00 0.00 59.98 58.83 2dm1 h ARG 37 Cb 1.20 0.08 -0.12 0.00 0.08 0.00 0.00 29.97 31.21 2dm1 h ARG 37 CO 0.49 0.84 2.42 -0.89 -1.07 0.00 0.00 179.97 181.76 2dm1 n ILE 38 N -3.26 4.70 -3.47 2.04 2.08 -1.26 -4.82 119.36 115.37 2dm1 n ILE 38 Ca -0.21 -4.13 0.01 0.00 0.56 0.00 0.00 62.75 58.98 2dm1 n ILE 38 Cb 1.04 -2.27 -0.04 0.00 -0.75 0.00 0.00 39.64 37.63 2dm1 n ILE 38 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 2dm1 s GLY 39 N 0.86 -0.41 0.00 7.39 0.00 -1.26 -5.15 107.32 108.76 2dm1 s GLY 39 Ca 0.49 2.76 0.00 0.00 0.00 0.00 0.00 44.72 47.97 2dm1 s GLY 39 CO -0.05 3.20 0.00 0.61 0.00 0.00 0.00 173.10 176.86 2dm1 n GLY 40 N 5.17 0.68 3.00 0.20 0.00 -1.26 -3.96 105.19 109.02 2dm1 n GLY 40 Ca -0.10 -2.08 -0.42 0.00 0.00 0.00 0.00 46.02 43.43 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 1.36 3.87 -3.80 1.61 8.00 -1.26 -4.53 116.55 121.80 2dm1 n ASP 41 Ca 0.00 -2.83 -0.27 0.00 0.71 0.00 0.00 54.79 52.41 2dm1 n ASP 41 Cb 0.00 -1.61 -0.07 0.00 -0.02 0.00 0.00 41.12 39.43 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 6.80 -0.88 0.00 -1.24 -0.06 -1.26 -3.82 117.38 116.92 2dm1 n GLN 42 Ca 0.51 0.08 0.00 0.00 -2.00 0.00 0.00 57.00 55.59 2dm1 n GLN 42 Cb 0.41 -3.00 0.00 0.00 -4.06 0.00 0.00 30.24 23.59 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 -1.63 0.26 3.67 1.69 0.00 -1.26 -5.15 105.19 102.77 2dm1 n GLY 43 Ca -0.10 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 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 0.83 -4.27 1.61 7.02 -1.25 -4.61 117.44 116.78 2dm1 n TRP 44 Ca 0.00 0.40 -0.14 0.00 -1.02 0.00 0.00 57.50 56.73 2dm1 n TRP 44 Cb 0.00 -2.00 -0.10 0.00 -2.42 0.00 0.00 31.31 26.79 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 -2.60 1.36 -0.16 -5.99 0.51 -1.21 -4.31 118.94 106.54 2dm1 s TRP 45 Ca 0.67 -1.22 0.01 0.00 -2.12 0.00 0.00 56.10 53.44 2dm1 s TRP 45 Cb -0.23 -0.76 0.02 0.00 -0.81 0.00 0.00 33.47 31.69 2dm1 s TRP 45 CO 0.58 -0.42 -0.17 0.21 -0.51 0.00 0.00 176.95 176.64 2dm1 s LYS 46 N -4.06 2.64 0.00 4.98 2.20 -1.21 -2.75 119.74 121.54 2dm1 s LYS 46 Ca 0.36 -0.70 0.00 0.00 -0.36 0.00 0.00 55.97 55.27 2dm1 s LYS 46 Cb 0.07 -2.31 0.00 0.00 -1.51 0.00 0.00 37.83 34.09 2dm1 s LYS 46 CO 0.11 -0.19 0.00 0.41 -0.36 0.00 0.00 175.35 175.33 2dm1 n GLY 47 N 4.59 5.29 3.64 5.54 0.00 -1.25 -0.03 105.19 122.97 2dm1 n GLY 47 Ca -0.19 -1.02 -0.10 0.00 0.00 0.00 0.00 46.02 44.70 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 2.65 0.66 -0.28 1.61 -6.30 -1.24 -3.89 118.70 111.90 2dm1 s GLU 48 Ca 0.00 0.85 -0.20 0.00 -2.50 0.00 0.00 54.97 53.12 2dm1 s GLU 48 Cb 0.00 0.29 0.09 0.00 0.00 0.00 0.00 34.13 34.50 2dm1 s GLU 48 CO 0.00 -0.09 0.76 -0.08 0.02 0.00 0.00 175.26 175.88 2dm1 s THR 49 N 0.56 0.00 -1.54 -1.70 -1.32 -0.85 -3.07 115.64 107.72 2dm1 s THR 49 Ca -0.01 0.00 -0.04 0.00 -1.21 0.00 0.00 61.69 60.43 2dm1 s THR 49 Cb -0.05 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.95 2dm1 s THR 49 CO -0.06 0.00 0.52 0.59 -2.21 0.00 0.00 174.62 173.47 2dm1 n ASN 50 N 3.46 -5.99 -2.32 8.08 3.02 -1.26 -1.97 115.26 118.27 2dm1 n ASN 50 Ca -0.17 -0.25 -0.16 0.00 -0.03 0.00 0.00 54.58 53.97 2dm1 n ASN 50 Cb 0.57 -4.83 0.03 0.00 -0.61 0.00 0.00 39.78 34.94 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 -1.45 -0.16 2.79 7.41 0.00 -1.26 -5.01 105.19 107.51 2dm1 n GLY 51 Ca -0.13 -0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.57 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 -5.49 0.56 -0.01 1.61 0.52 -0.83 -5.14 118.95 110.15 2dm1 s ARG 52 Ca 0.26 0.09 0.05 0.00 -0.52 0.00 0.00 55.73 55.61 2dm1 s ARG 52 Cb -0.12 -0.85 -0.03 0.00 0.52 0.00 0.00 34.95 34.48 2dm1 s ARG 52 CO 0.33 -0.24 -0.16 0.42 0.02 0.00 0.00 175.30 175.66 2dm1 s ILE 53 N 1.68 2.95 -4.33 1.52 1.09 -1.26 -2.00 121.20 120.84 2dm1 s ILE 53 Ca 0.00 -0.91 0.00 0.00 -1.10 0.00 0.00 60.65 58.65 2dm1 s ILE 53 Cb -0.13 -2.18 0.00 0.00 -1.06 0.00 0.00 42.46 39.09 2dm1 s ILE 53 CO -0.04 0.49 0.00 0.61 -0.10 0.00 0.00 174.94 175.90 2dm1 n GLY 54 N 2.01 -2.16 3.64 6.18 0.00 -1.25 -4.86 105.19 108.74 2dm1 n GLY 54 Ca -0.17 -1.24 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 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 -2.41 3.31 0.07 1.61 0.52 0.42 -3.77 118.94 118.69 2dm1 s TRP 55 Ca 0.00 1.12 0.10 0.00 0.02 0.00 0.00 56.10 57.34 2dm1 s TRP 55 Cb 0.00 -3.04 -0.03 0.00 -1.15 0.00 0.00 33.47 29.25 2dm1 s TRP 55 CO 0.00 -0.39 -0.26 -0.59 0.02 0.00 0.00 176.95 175.73 2dm1 s PHE 56 N 2.80 2.34 -0.11 -1.98 -0.12 -1.11 -2.12 117.98 117.68 2dm1 s PHE 56 Ca 0.35 -0.39 -0.29 0.00 -0.05 0.00 0.00 56.93 56.54 2dm1 s PHE 56 Cb -0.15 -1.36 -0.04 0.00 -0.63 0.00 0.00 43.02 40.84 2dm1 s PHE 56 CO 0.07 0.19 1.53 -1.25 -0.05 0.00 0.00 175.22 175.71 2dm1 s PRO 57 N -1.45 4.14 0.00 1.99 0.04 -1.26 -3.31 135.00 135.15 2dm1 s PRO 57 Ca 0.12 1.96 0.10 0.00 0.04 0.00 0.00 61.00 63.22 2dm1 s PRO 57 Cb -0.10 -3.93 0.44 0.00 0.04 0.00 0.00 34.50 30.95 2dm1 s PRO 57 CO 0.03 -0.87 1.25 -1.13 0.04 0.00 0.00 177.00 176.33 2dm1 n SER 58 N 7.16 0.00 0.02 6.66 3.41 -1.26 -1.42 113.62 128.19 2dm1 n SER 58 Ca 0.16 0.34 0.13 0.00 -0.26 0.00 0.00 58.87 59.25 2dm1 n SER 58 Cb 0.44 -0.40 0.41 0.00 -0.26 0.00 0.00 64.21 64.40 2dm1 n SER 58 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2dm1 n THR 59 N -1.40 0.12 0.90 6.66 -2.24 -1.26 -3.36 114.28 113.69 2dm1 n THR 59 Ca 0.03 -0.07 0.10 0.00 -2.27 0.00 0.00 64.05 61.84 2dm1 n THR 59 Cb 0.10 -0.21 -0.01 0.00 -2.10 0.00 0.00 70.33 68.10 2dm1 n THR 59 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2dm1 n TYR 60 N -1.67 0.00 -4.45 4.78 4.02 -0.51 -4.97 117.16 114.37 2dm1 n TYR 60 Ca 0.06 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.72 2dm1 n TYR 60 Cb 0.36 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.58 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 -2.32 2.22 -0.18 -0.72 -7.23 -1.21 0.69 120.40 111.65 2dm1 s VAL 61 Ca 0.16 -2.32 0.01 0.00 -1.81 0.00 0.00 61.98 58.02 2dm1 s VAL 61 Cb 0.16 -2.30 0.02 0.00 0.56 0.00 0.00 36.38 34.82 2dm1 s VAL 61 CO 0.54 -0.41 -0.17 -0.70 -0.31 0.00 0.00 175.10 174.04 2dm1 s GLU 62 N -3.57 2.70 -1.03 4.82 -6.30 0.25 -4.83 118.70 110.74 2dm1 s GLU 62 Ca 0.29 -0.79 -0.26 0.00 -2.50 0.00 0.00 54.97 51.70 2dm1 s GLU 62 Cb -0.02 -2.45 -0.20 0.00 0.00 0.00 0.00 34.13 31.45 2dm1 s GLU 62 CO 0.13 -0.25 2.16 -1.21 0.02 0.00 0.00 175.26 176.11 2dm1 s GLU 63 N 1.34 1.30 0.51 4.30 2.02 -1.26 -2.53 118.70 124.38 2dm1 s GLU 63 Ca 0.04 -0.29 -0.20 0.00 0.02 0.00 0.00 54.97 54.54 2dm1 s GLU 63 Cb -0.14 -4.96 -0.11 0.00 0.10 0.00 0.00 34.13 29.03 2dm1 s GLU 63 CO -0.12 -5.26 0.45 0.39 0.02 0.00 0.00 175.26 170.74 2dm1 n GLU 64 N 8.30 0.47 0.00 1.61 1.02 -1.05 -4.68 120.64 126.31 2dm1 n GLU 64 Ca 0.42 0.18 0.00 0.00 -0.02 0.00 0.00 57.16 57.74 2dm1 n GLU 64 Cb 0.46 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 30.34 2dm1 n GLU 64 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dm1 n GLY 65 N 1.88 0.42 0.22 0.62 0.00 -1.26 -4.73 105.19 102.33 2dm1 n GLY 65 Ca 0.11 -0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.27 2dm1 n GLY 65 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2dm1 h ILE 66 N 0.00 0.00 -3.18 -0.61 3.07 -2.02 -3.41 117.51 111.36 2dm1 h ILE 66 Ca 0.00 -0.02 -0.55 0.00 1.55 0.00 0.00 64.86 65.85 2dm1 h ILE 66 Cb 0.00 0.67 -0.02 0.00 -0.27 0.00 0.00 36.82 37.20 2dm1 h ILE 66 CO 0.00 0.00 0.61 -1.10 -1.05 0.00 0.00 178.15 176.61 2dm1 s GLN 67 N -3.73 4.41 0.49 0.16 -1.52 -1.26 -5.04 119.66 113.17 2dm1 s GLN 67 Ca -0.03 1.61 0.07 0.00 -1.95 0.00 0.00 55.36 55.06 2dm1 s GLN 67 Cb 0.08 -3.50 0.04 0.00 -0.22 0.00 0.00 33.01 29.41 2dm1 s GLN 67 CO 0.27 -0.33 0.67 -1.12 -0.25 0.00 0.00 175.29 174.53 2dm1 s SER 68 N 1.27 5.41 0.00 5.90 0.01 -1.26 -5.10 113.70 119.93 2dm1 s SER 68 Ca 0.55 -0.44 0.00 0.00 1.31 0.00 0.00 55.95 57.37 2dm1 s SER 68 Cb -0.24 -0.47 0.00 0.00 0.21 0.00 0.00 66.02 65.52 2dm1 s SER 68 CO 0.23 -1.00 0.00 0.61 0.41 0.00 0.00 173.24 173.49 2dm1 n GLY 69 N -2.06 4.80 3.77 3.44 0.00 -1.26 -5.12 105.19 108.76 2dm1 n GLY 69 Ca 0.10 -1.11 -0.40 0.00 0.00 0.00 0.00 46.02 44.61 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 -4.32 4.40 -0.77 1.61 0.04 -1.26 -4.86 135.00 129.83 2dm1 s PRO 70 Ca 0.00 2.03 -0.25 0.00 0.04 0.00 0.00 61.00 62.82 2dm1 s PRO 70 Cb 0.00 -3.05 -0.17 0.00 0.04 0.00 0.00 34.50 31.32 2dm1 s PRO 70 CO 0.00 -0.08 2.45 0.43 0.04 0.00 0.00 177.00 179.84 2dm1 n SER 71 N 0.81 1.05 -4.78 6.66 7.64 -1.26 -4.89 113.62 118.85 2dm1 n SER 71 Ca 0.00 -0.54 -0.30 0.00 1.01 0.00 0.00 58.87 59.05 2dm1 n SER 71 Cb 0.43 -1.25 0.10 0.00 -1.01 0.00 0.00 64.21 62.48 2dm1 n SER 71 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dm1 s SER 72 N 9.15 4.40 0.00 6.43 0.15 -1.26 -5.36 113.70 127.20 2dm1 s SER 72 Ca 1.13 1.48 0.28 0.00 0.70 0.00 0.00 55.95 59.53 2dm1 s SER 72 Cb -0.57 -2.22 0.99 0.00 -1.71 0.00 0.00 66.02 62.51 2dm1 s SER 72 CO 0.34 -2.05 1.71 0.61 1.20 0.00 0.00 173.24 175.04