#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 3.87 0.05 1.61 0.15 -1.26 -5.10 113.70 113.03 2dm1 s SER 2 Ca 0.00 -2.86 0.07 0.00 0.70 0.00 0.00 55.95 53.87 2dm1 s SER 2 Cb 0.00 -1.25 -0.03 0.00 -1.71 0.00 0.00 66.02 63.03 2dm1 s SER 2 CO 0.00 -0.24 -0.19 -0.44 1.20 0.00 0.00 173.24 173.58 2dm1 s SER 3 N -0.00 3.76 0.00 5.45 0.01 -1.26 -4.94 113.70 116.73 2dm1 s SER 3 Ca 0.19 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 56.99 2dm1 s SER 3 Cb -0.22 -0.58 0.00 0.00 0.21 0.00 0.00 66.02 65.43 2dm1 s SER 3 CO -0.02 0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.49 2dm1 n GLY 4 N 1.47 0.22 3.73 3.44 0.00 -1.26 -5.03 105.19 107.75 2dm1 n GLY 4 Ca -0.16 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.06 6.55 0.21 1.61 0.01 -1.26 -4.90 113.70 115.87 2dm1 s SER 5 Ca 0.00 2.71 -0.09 0.00 1.31 0.00 0.00 55.95 59.88 2dm1 s SER 5 Cb 0.00 -2.61 0.31 0.00 0.21 0.00 0.00 66.02 63.93 2dm1 s SER 5 CO 0.00 -0.82 1.70 0.28 0.41 0.00 0.00 173.24 174.81 2dm1 h SER 6 N 5.94 -0.04 0.00 2.44 0.02 -2.02 -3.48 113.55 116.41 2dm1 h SER 6 Ca -0.44 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 2dm1 h SER 6 Cb 1.21 0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.93 2dm1 h SER 6 CO 0.86 -0.02 0.00 0.61 -1.14 0.00 0.00 176.83 177.14 2dm1 n GLY 7 N -1.33 0.96 0.00 -3.77 0.00 -1.26 -4.98 105.19 94.81 2dm1 n GLY 7 Ca 0.10 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.46 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 0.60 3.18 -0.02 0.00 -1.26 -5.10 105.19 102.60 2dm1 n GLY 8 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.82 0.94 0.32 2.61 -4.23 -1.26 -2.76 115.64 110.44 2dm1 s THR 9 Ca 0.00 -1.71 0.10 0.00 -1.18 0.00 0.00 61.69 58.90 2dm1 s THR 9 Cb 0.00 -1.44 -0.05 0.00 1.34 0.00 0.00 72.50 72.35 2dm1 s THR 9 CO 0.00 -0.61 -0.05 0.00 -0.54 0.00 0.00 174.62 173.42 2dm1 s ALA 10 N -2.64 3.06 -0.15 3.99 0.00 -0.73 -3.12 121.76 122.17 2dm1 s ALA 10 Ca 0.07 -1.92 0.01 0.00 0.00 0.00 0.00 51.96 50.13 2dm1 s ALA 10 Cb -0.02 -0.35 0.02 0.00 0.00 0.00 0.00 23.12 22.77 2dm1 s ALA 10 CO -0.00 0.15 -0.18 0.08 0.00 0.00 0.00 175.76 175.80 2dm1 s VAL 11 N -2.50 1.85 -0.42 0.00 1.01 0.40 -2.11 120.40 118.63 2dm1 s VAL 11 Ca 0.33 -0.83 -0.27 0.00 0.00 0.00 0.00 61.98 61.21 2dm1 s VAL 11 Cb -0.02 -1.68 -0.06 0.00 0.00 0.00 0.00 36.38 34.63 2dm1 s VAL 11 CO 0.18 0.51 2.27 0.00 0.00 0.00 0.00 175.10 178.06 2dm1 s ALA 12 N 1.15 2.05 -0.44 5.51 0.00 -1.14 -0.25 121.76 128.64 2dm1 s ALA 12 Ca -0.00 0.19 0.23 0.00 0.00 0.00 0.00 51.96 52.37 2dm1 s ALA 12 Cb -0.14 -4.25 0.34 0.00 0.00 0.00 0.00 23.12 19.07 2dm1 s ALA 12 CO -0.07 -3.85 1.58 0.00 0.00 0.00 0.00 175.76 173.41 2dm1 h ARG 13 N 17.56 0.00 -4.09 0.00 2.47 -1.82 -2.11 114.38 126.39 2dm1 h ARG 13 Ca -0.30 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.29 2dm1 h ARG 13 Cb 1.24 0.00 -0.17 0.00 -1.65 0.00 0.00 29.97 29.40 2dm1 h ARG 13 CO 1.10 0.00 -0.65 0.71 0.56 0.00 0.00 179.97 181.70 2dm1 s TYR 14 N -3.22 0.39 -0.20 3.04 2.02 -1.21 -4.92 117.35 113.26 2dm1 s TYR 14 Ca 0.07 -0.83 -0.28 0.00 -0.37 0.00 0.00 57.07 55.65 2dm1 s TYR 14 Cb 0.06 -0.29 0.00 0.00 -0.40 0.00 0.00 41.96 41.33 2dm1 s TYR 14 CO 0.68 -0.34 0.99 0.54 -1.57 0.00 0.00 175.55 175.84 2dm1 s ASN 15 N -2.45 7.08 0.07 2.29 4.22 -1.26 -4.24 114.94 120.65 2dm1 s ASN 15 Ca -0.00 1.35 0.08 0.00 -2.14 0.00 0.00 52.86 52.14 2dm1 s ASN 15 Cb 0.02 -2.52 -0.03 0.00 1.28 0.00 0.00 41.25 40.00 2dm1 s ASN 15 CO -0.07 -0.58 -0.21 0.12 -2.04 0.00 0.00 177.10 174.32 2dm1 s PHE 16 N 2.83 1.80 -0.19 1.54 5.36 0.71 -5.00 117.98 125.03 2dm1 s PHE 16 Ca 0.43 -0.39 -0.01 0.00 -0.96 0.00 0.00 56.93 56.00 2dm1 s PHE 16 Cb -0.16 -1.04 0.01 0.00 -0.34 0.00 0.00 43.02 41.49 2dm1 s PHE 16 CO 0.09 0.14 -0.14 0.00 -1.46 0.00 0.00 175.22 173.85 2dm1 s ALA 17 N -0.94 2.53 -0.60 11.12 0.00 -1.26 -1.60 121.76 131.01 2dm1 s ALA 17 Ca 0.07 -1.17 -0.26 0.00 0.00 0.00 0.00 51.96 50.60 2dm1 s ALA 17 Cb -0.09 -1.37 -0.10 0.00 0.00 0.00 0.00 23.12 21.55 2dm1 s ALA 17 CO 0.03 -0.32 2.44 0.00 0.00 0.00 0.00 175.76 177.91 2dm1 n ALA 18 N 4.59 0.67 -0.33 0.00 0.00 -1.26 -4.78 120.51 119.38 2dm1 n ALA 18 Ca -0.20 -0.95 0.25 0.00 0.00 0.00 0.00 53.44 52.54 2dm1 n ALA 18 Cb 0.51 -3.12 0.49 0.00 0.00 0.00 0.00 19.45 17.32 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 17.59 0.26 -5.08 0.00 3.08 -1.93 -3.41 114.38 124.89 2dm1 h ARG 19 Ca -0.18 -0.02 -0.35 0.00 0.07 0.00 0.00 59.98 59.51 2dm1 h ARG 19 Cb 1.23 -0.06 -0.14 0.00 0.08 0.00 0.00 29.97 31.07 2dm1 h ARG 19 CO 1.17 0.17 -0.69 -0.51 -1.07 0.00 0.00 179.97 179.04 2dm1 s ASP 20 N -4.85 1.81 0.18 7.04 1.01 -1.26 -5.05 116.67 115.55 2dm1 s ASP 20 Ca -0.10 -1.11 -0.15 0.00 0.71 0.00 0.00 52.55 51.90 2dm1 s ASP 20 Cb 0.31 -0.00 0.15 0.00 1.01 0.00 0.00 42.92 44.39 2dm1 s ASP 20 CO 0.79 -0.41 1.68 0.24 0.21 0.00 0.00 175.17 177.68 2dm1 h MET 21 N 2.63 0.09 -0.95 8.23 2.86 -2.03 -0.90 114.93 124.87 2dm1 h MET 21 Ca -0.37 -0.01 0.28 0.00 -2.06 0.00 0.00 59.70 57.54 2dm1 h MET 21 Cb 1.21 -0.02 -0.14 0.00 0.06 0.00 0.00 31.60 32.70 2dm1 h MET 21 CO 0.64 0.06 0.44 0.00 1.06 0.00 0.00 176.91 179.11 2dm1 h ARG 22 N 0.09 0.30 -7.42 1.72 2.47 -1.95 -3.41 114.38 106.19 2dm1 h ARG 22 Ca 0.23 -0.02 -0.44 0.00 -1.26 0.00 0.00 59.98 58.49 2dm1 h ARG 22 Cb 0.34 -0.07 0.16 0.00 -1.65 0.00 0.00 29.97 28.75 2dm1 h ARG 22 CO -0.39 0.20 0.21 -1.21 0.56 0.00 0.00 179.97 179.34 2dm1 s GLU 23 N -5.79 0.11 -0.06 0.04 8.01 -0.34 -1.44 118.70 119.25 2dm1 s GLU 23 Ca -0.11 0.25 0.05 0.00 0.01 0.00 0.00 54.97 55.17 2dm1 s GLU 23 Cb 0.28 -1.72 -0.00 0.00 -4.31 0.00 0.00 34.13 28.37 2dm1 s GLU 23 CO 0.78 -2.88 -0.20 -1.17 0.01 0.00 0.00 175.26 171.80 2dm1 s LEU 24 N -6.48 1.96 0.46 1.80 2.96 -0.18 -4.31 118.68 114.89 2dm1 s LEU 24 Ca 0.67 -0.42 -0.22 0.00 -0.22 0.00 0.00 54.13 53.94 2dm1 s LEU 24 Cb -0.15 -1.14 -0.08 0.00 0.50 0.00 0.00 46.19 45.32 2dm1 s LEU 24 CO 0.56 0.17 1.06 -0.55 -1.32 0.00 0.00 176.35 176.28 2dm1 s SER 25 N 0.07 6.39 -0.04 3.68 0.15 -1.26 -4.30 113.70 118.39 2dm1 s SER 25 Ca -0.07 2.03 0.01 0.00 0.70 0.00 0.00 55.95 58.62 2dm1 s SER 25 Cb -0.13 -2.57 0.02 0.00 -1.71 0.00 0.00 66.02 61.62 2dm1 s SER 25 CO 0.04 -0.75 -0.04 -0.76 1.20 0.00 0.00 173.24 172.93 2dm1 s LEU 26 N -3.20 1.36 -0.04 3.45 1.43 -0.63 -4.94 118.68 116.10 2dm1 s LEU 26 Ca 0.64 -0.10 0.06 0.00 -1.03 0.00 0.00 54.13 53.70 2dm1 s LEU 26 Cb -0.20 -0.38 -0.02 0.00 0.03 0.00 0.00 46.19 45.62 2dm1 s LEU 26 CO 0.25 -0.05 -0.23 -0.60 0.23 0.00 0.00 176.35 175.95 2dm1 s ARG 27 N 0.83 2.41 -0.60 1.70 3.52 -1.26 -0.21 118.95 125.34 2dm1 s ARG 27 Ca -0.10 -0.86 -0.39 0.00 -0.13 0.00 0.00 55.73 54.24 2dm1 s ARG 27 Cb -0.13 -2.18 -0.18 0.00 -1.56 0.00 0.00 34.95 30.89 2dm1 s ARG 27 CO -0.00 0.49 2.29 0.39 -0.81 0.00 0.00 175.30 177.66 2dm1 n GLU 28 N 2.64 0.18 0.00 5.12 1.02 -1.26 0.11 120.64 128.45 2dm1 n GLU 28 Ca -0.17 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.01 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 7.09 1.09 3.52 0.62 0.00 -0.79 -5.03 105.19 111.69 2dm1 n GLY 29 Ca 0.55 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.14 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 6.35 -0.13 1.61 1.11 0.30 -4.87 116.67 119.03 2dm1 s ASP 30 Ca 0.00 -0.32 -0.29 0.00 0.18 0.00 0.00 52.55 52.11 2dm1 s ASP 30 Cb 0.00 -2.36 -0.02 0.00 1.07 0.00 0.00 42.92 41.62 2dm1 s ASP 30 CO 0.00 -0.91 1.19 -0.69 1.18 0.00 0.00 175.17 175.94 2dm1 s VAL 31 N 3.13 4.37 0.00 -1.27 1.01 -1.26 -2.89 120.40 123.49 2dm1 s VAL 31 Ca 0.26 1.66 0.04 0.00 0.00 0.00 0.00 61.98 63.94 2dm1 s VAL 31 Cb -0.14 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 2dm1 s VAL 31 CO 0.20 -0.08 -0.10 -0.69 0.00 0.00 0.00 175.10 174.42 2dm1 s VAL 32 N 2.90 3.40 -0.45 2.92 1.01 -0.90 -4.49 120.40 124.79 2dm1 s VAL 32 Ca 0.53 -0.84 -0.11 0.00 0.00 0.00 0.00 61.98 61.56 2dm1 s VAL 32 Cb -0.22 -2.45 0.09 0.00 0.00 0.00 0.00 36.38 33.80 2dm1 s VAL 32 CO 0.16 0.41 0.32 -0.60 0.00 0.00 0.00 175.10 175.39 2dm1 s ARG 33 N -1.32 2.70 -0.45 2.72 3.52 -1.16 -1.77 118.95 123.19 2dm1 s ARG 33 Ca 0.16 -1.49 -0.26 0.00 -0.13 0.00 0.00 55.73 54.00 2dm1 s ARG 33 Cb -0.11 -3.91 -0.06 0.00 -1.56 0.00 0.00 34.95 29.30 2dm1 s ARG 33 CO 0.06 -1.03 2.36 0.42 -0.81 0.00 0.00 175.30 176.30 2dm1 s ILE 34 N 1.48 3.02 -0.16 4.11 1.01 -1.11 -3.39 121.20 126.15 2dm1 s ILE 34 Ca 0.04 0.01 -0.17 0.00 0.00 0.00 0.00 60.65 60.53 2dm1 s ILE 34 Cb -0.24 -3.05 -0.14 0.00 0.01 0.00 0.00 42.46 39.04 2dm1 s ILE 34 CO 0.03 -0.04 0.23 1.88 0.00 0.00 0.00 174.94 177.04 2dm1 h TYR 35 N 18.67 0.00 -3.31 3.97 0.05 -1.37 -3.47 116.97 131.51 2dm1 h TYR 35 Ca -0.27 0.00 -0.67 0.00 0.05 0.00 0.00 58.73 57.84 2dm1 h TYR 35 Cb 1.26 0.00 -0.31 0.00 1.01 0.00 0.00 36.73 38.69 2dm1 h TYR 35 CO 0.96 0.81 -0.83 -1.12 -1.05 0.00 0.00 178.16 176.94 2dm1 s SER 36 N -6.25 3.49 -0.25 3.88 0.01 -1.01 -5.01 113.70 108.55 2dm1 s SER 36 Ca -0.19 -0.47 -0.16 0.00 1.31 0.00 0.00 55.95 56.44 2dm1 s SER 36 Cb 0.02 -1.51 -0.14 0.00 0.21 0.00 0.00 66.02 64.61 2dm1 s SER 36 CO 0.44 0.14 -0.20 0.54 0.41 0.00 0.00 173.24 174.57 2dm1 n ARG 37 N 3.67 0.58 -2.43 12.44 1.74 -1.26 -2.32 116.66 129.08 2dm1 n ARG 37 Ca -0.19 0.35 -0.43 0.00 -0.77 0.00 0.00 57.85 56.81 2dm1 n ARG 37 Cb 0.53 -1.56 -0.02 0.00 -1.02 0.00 0.00 32.46 30.38 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 -2.48 4.00 -1.11 0.55 1.01 -1.26 -4.71 121.20 117.21 2dm1 s ILE 38 Ca -0.35 1.03 0.00 0.00 0.00 0.00 0.00 60.65 61.33 2dm1 s ILE 38 Cb 0.12 -4.32 0.00 0.00 0.01 0.00 0.00 42.46 38.27 2dm1 s ILE 38 CO 0.51 -0.82 0.00 0.61 0.00 0.00 0.00 174.94 175.24 2dm1 n GLY 39 N 4.97 -0.57 6.36 6.18 0.00 -1.26 -5.09 105.19 115.78 2dm1 n GLY 39 Ca 0.15 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 0.51 2.32 -0.02 0.00 -1.26 -2.30 105.19 104.44 2dm1 n GLY 40 Ca 0.00 -0.76 -0.39 0.00 0.00 0.00 0.00 46.02 44.87 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 -3.64 8.65 -3.71 1.61 2.03 -1.26 -4.56 116.55 115.67 2dm1 n ASP 41 Ca 0.00 -2.63 -0.21 0.00 0.52 0.00 0.00 54.79 52.47 2dm1 n ASP 41 Cb 0.00 -1.54 0.03 0.00 -0.72 0.00 0.00 41.12 38.89 2dm1 n ASP 41 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 2dm1 n GLN 42 N 3.37 -4.77 0.00 -0.67 7.27 -0.97 -4.47 117.38 117.14 2dm1 n GLN 42 Ca 0.77 0.61 0.00 0.00 0.07 0.00 0.00 57.00 58.45 2dm1 n GLN 42 Cb 0.24 -5.14 0.00 0.00 2.41 0.00 0.00 30.24 27.75 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 -1.59 -0.33 3.29 1.69 0.00 -1.24 -5.07 105.19 101.94 2dm1 n GLY 43 Ca -0.30 0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.53 -4.45 1.61 7.02 -1.26 -4.84 117.44 113.00 2dm1 n TRP 44 Ca 0.00 0.21 -0.22 0.00 -1.02 0.00 0.00 57.50 56.47 2dm1 n TRP 44 Cb 0.00 -1.71 -0.10 0.00 -2.42 0.00 0.00 31.31 27.08 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 -2.09 1.82 -0.19 -5.99 0.51 -1.09 -4.13 118.94 107.78 2dm1 s TRP 45 Ca 0.54 -1.11 0.00 0.00 -2.12 0.00 0.00 56.10 53.41 2dm1 s TRP 45 Cb -0.28 -1.17 0.05 0.00 -0.81 0.00 0.00 33.47 31.26 2dm1 s TRP 45 CO 0.69 -0.16 -0.07 0.21 -0.51 0.00 0.00 176.95 177.11 2dm1 s LYS 46 N -3.86 1.63 0.00 4.98 2.20 -0.98 -1.58 119.74 122.13 2dm1 s LYS 46 Ca 0.32 -0.68 0.00 0.00 -0.36 0.00 0.00 55.97 55.25 2dm1 s LYS 46 Cb 0.06 -2.22 0.00 0.00 -1.51 0.00 0.00 37.83 34.16 2dm1 s LYS 46 CO 0.15 -0.46 0.00 0.41 -0.36 0.00 0.00 175.35 175.09 2dm1 n GLY 47 N 4.79 5.59 3.59 5.54 0.00 -1.22 -0.95 105.19 122.54 2dm1 n GLY 47 Ca -0.13 -1.71 -0.09 0.00 0.00 0.00 0.00 46.02 44.09 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 1.78 0.70 -0.19 1.61 2.12 -1.22 -3.77 118.70 119.73 2dm1 s GLU 48 Ca 0.00 1.12 -0.27 0.00 0.36 0.00 0.00 54.97 56.18 2dm1 s GLU 48 Cb 0.00 0.18 0.07 0.00 0.26 0.00 0.00 34.13 34.64 2dm1 s GLU 48 CO 0.00 -0.14 0.70 -0.08 -0.54 0.00 0.00 175.26 175.20 2dm1 s THR 49 N 1.34 0.00 -1.34 -1.70 -1.32 -0.43 -2.99 115.64 109.20 2dm1 s THR 49 Ca -0.08 -0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.39 2dm1 s THR 49 Cb -0.05 -0.99 0.00 0.00 -1.51 0.00 0.00 72.50 69.95 2dm1 s THR 49 CO -0.15 -0.00 0.06 0.59 -2.21 0.00 0.00 174.62 172.91 2dm1 n ASN 50 N 2.02 -4.70 -1.37 8.08 3.02 -1.26 -0.75 115.26 120.29 2dm1 n ASN 50 Ca -0.16 0.07 -0.10 0.00 -0.03 0.00 0.00 54.58 54.35 2dm1 n ASN 50 Cb 0.56 -3.94 0.01 0.00 -0.61 0.00 0.00 39.78 35.79 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 -0.94 0.03 2.98 7.41 0.00 -1.26 -5.03 105.19 108.38 2dm1 n GLY 51 Ca -0.17 -0.40 -0.19 0.00 0.00 0.00 0.00 46.02 45.26 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 -4.81 0.77 -0.05 1.61 1.81 0.07 -5.14 118.95 113.21 2dm1 s ARG 52 Ca 0.08 -0.25 0.04 0.00 -1.72 0.00 0.00 55.73 53.88 2dm1 s ARG 52 Cb -0.03 -0.74 0.00 0.00 -0.45 0.00 0.00 34.95 33.73 2dm1 s ARG 52 CO 0.10 0.10 -0.15 0.42 -0.68 0.00 0.00 175.30 175.08 2dm1 s ILE 53 N 0.17 1.26 -0.67 1.52 1.09 -1.26 -1.32 121.20 121.99 2dm1 s ILE 53 Ca -0.02 -0.61 0.00 0.00 -1.10 0.00 0.00 60.65 58.92 2dm1 s ILE 53 Cb -0.07 -1.10 0.00 0.00 -1.06 0.00 0.00 42.46 40.23 2dm1 s ILE 53 CO 0.00 0.37 0.00 0.61 -0.10 0.00 0.00 174.94 175.82 2dm1 n GLY 54 N 3.31 -1.27 3.62 6.18 0.00 -1.25 -4.84 105.19 110.95 2dm1 n GLY 54 Ca -0.19 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.89 3.22 0.10 1.61 0.52 -0.52 -3.37 118.94 117.62 2dm1 s TRP 55 Ca 0.00 0.85 0.09 0.00 0.02 0.00 0.00 56.10 57.07 2dm1 s TRP 55 Cb 0.00 -3.16 -0.04 0.00 -1.15 0.00 0.00 33.47 29.13 2dm1 s TRP 55 CO 0.00 -0.52 -0.24 -0.59 0.02 0.00 0.00 176.95 175.62 2dm1 s PHE 56 N 2.89 2.05 0.48 -1.98 -0.71 -0.61 -1.01 117.98 119.08 2dm1 s PHE 56 Ca 0.32 -0.40 -0.22 0.00 -1.04 0.00 0.00 56.93 55.59 2dm1 s PHE 56 Cb -0.14 -1.13 -0.07 0.00 -1.21 0.00 0.00 43.02 40.46 2dm1 s PHE 56 CO 0.11 0.24 1.16 -1.25 -1.34 0.00 0.00 175.22 174.14 2dm1 s PRO 57 N -1.83 3.66 0.01 1.99 0.04 -1.26 -2.68 135.00 134.93 2dm1 s PRO 57 Ca 0.10 1.74 0.23 0.00 0.04 0.00 0.00 61.00 63.11 2dm1 s PRO 57 Cb -0.10 -2.31 0.14 0.00 0.04 0.00 0.00 34.50 32.27 2dm1 s PRO 57 CO 0.04 -0.62 1.15 -1.13 0.04 0.00 0.00 177.00 176.48 2dm1 n SER 58 N -0.68 0.71 0.07 6.66 3.41 -1.26 -4.14 113.62 118.38 2dm1 n SER 58 Ca 0.08 -0.53 -0.23 0.00 -0.26 0.00 0.00 58.87 57.94 2dm1 n SER 58 Cb 0.49 0.64 -0.15 0.00 -0.26 0.00 0.00 64.21 64.93 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 1.03 0.00 6.66 1.35 -1.98 -3.29 112.91 116.68 2dm1 h THR 59 Ca 0.00 -2.51 0.00 0.00 -0.55 0.00 0.00 66.41 63.35 2dm1 h THR 59 Cb 0.54 2.81 0.00 0.00 -1.73 0.00 0.00 68.15 69.78 2dm1 h THR 59 CO 0.00 0.81 0.00 -1.22 -0.25 0.00 0.00 175.52 174.86 2dm1 n TYR 60 N -3.72 0.00 -4.51 4.73 4.02 -1.26 -4.75 117.16 111.67 2dm1 n TYR 60 Ca -0.23 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.40 2dm1 n TYR 60 Cb 1.02 -0.18 -0.10 0.00 -0.02 0.00 0.00 39.34 40.07 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 -2.35 2.27 -0.24 -0.72 -7.23 -1.24 -2.60 120.40 108.29 2dm1 s VAL 61 Ca 0.23 -2.13 -0.02 0.00 -1.81 0.00 0.00 61.98 58.25 2dm1 s VAL 61 Cb 0.13 -2.73 0.02 0.00 0.56 0.00 0.00 36.38 34.36 2dm1 s VAL 61 CO 0.27 -0.17 -0.07 -0.70 -0.31 0.00 0.00 175.10 174.12 2dm1 s GLU 62 N -3.65 2.91 -0.83 4.82 -6.30 0.66 -4.84 118.70 111.48 2dm1 s GLU 62 Ca 0.33 -0.93 -0.26 0.00 -2.50 0.00 0.00 54.97 51.62 2dm1 s GLU 62 Cb 0.03 -2.96 0.03 0.00 0.00 0.00 0.00 34.13 31.24 2dm1 s GLU 62 CO 0.17 -0.36 1.35 -1.21 0.02 0.00 0.00 175.26 175.23 2dm1 s GLU 63 N 1.34 3.30 0.92 4.30 2.02 -1.26 -0.45 118.70 128.87 2dm1 s GLU 63 Ca 0.01 -0.50 -0.14 0.00 0.02 0.00 0.00 54.97 54.37 2dm1 s GLU 63 Cb -0.16 -4.56 -0.00 0.00 0.10 0.00 0.00 34.13 29.51 2dm1 s GLU 63 CO -0.05 -2.19 0.26 0.39 0.02 0.00 0.00 175.26 173.68 2dm1 n GLU 64 N 9.22 -0.17 0.00 1.61 1.02 -1.18 -4.84 120.64 126.30 2dm1 n GLU 64 Ca 0.13 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 2dm1 n GLU 64 Cb 0.50 -1.73 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 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 1.79 -0.37 3.65 0.62 0.00 -1.26 -4.89 105.19 104.74 2dm1 n GLY 65 Ca 0.06 0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 2dm1 n GLY 65 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2dm1 s ILE 66 N -2.00 2.35 -0.07 -0.61 -4.36 -1.26 -5.07 121.20 110.18 2dm1 s ILE 66 Ca 0.00 0.11 -0.07 0.00 -0.26 0.00 0.00 60.65 60.43 2dm1 s ILE 66 Cb 0.00 -2.45 0.02 0.00 1.25 0.00 0.00 42.46 41.27 2dm1 s ILE 66 CO 0.00 -0.15 0.20 0.00 0.24 0.00 0.00 174.94 175.23 2dm1 s GLN 67 N -4.80 0.26 0.62 0.37 -2.07 -1.26 -5.16 119.66 107.62 2dm1 s GLN 67 Ca 0.65 0.22 -0.15 0.00 -1.82 0.00 0.00 55.36 54.26 2dm1 s GLN 67 Cb -0.20 0.12 -0.02 0.00 -1.09 0.00 0.00 33.01 31.82 2dm1 s GLN 67 CO 0.59 -0.04 1.07 -1.54 -1.32 0.00 0.00 175.29 174.05 2dm1 s SER 68 N -0.03 5.59 0.00 12.60 1.04 -1.26 -4.59 113.70 127.05 2dm1 s SER 68 Ca -0.01 1.85 0.00 0.00 0.48 0.00 0.00 55.95 58.27 2dm1 s SER 68 Cb -0.02 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.57 2dm1 s SER 68 CO 0.00 -1.30 0.00 0.61 0.98 0.00 0.00 173.24 173.54 2dm1 n GLY 69 N -0.92 0.28 0.22 7.32 0.00 -1.26 -4.94 105.19 105.89 2dm1 n GLY 69 Ca 0.09 -0.41 -0.13 0.00 0.00 0.00 0.00 46.02 45.57 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 0.74 -5.24 1.61 0.13 -1.98 -3.31 132.00 123.94 2dm1 h PRO 70 Ca 0.00 -0.39 -0.65 0.00 -0.87 0.00 0.00 66.00 64.09 2dm1 h PRO 70 Cb 0.65 0.01 -0.25 0.00 0.13 0.00 0.00 31.00 31.54 2dm1 h PRO 70 CO 0.00 1.01 -0.72 0.45 -0.23 0.00 0.00 178.00 178.51 2dm1 s SER 71 N -6.59 4.34 -1.51 1.44 0.15 -1.26 -4.65 113.70 105.62 2dm1 s SER 71 Ca -0.12 -0.27 -0.17 0.00 0.70 0.00 0.00 55.95 56.08 2dm1 s SER 71 Cb 0.09 -1.70 0.17 0.00 -1.71 0.00 0.00 66.02 62.87 2dm1 s SER 71 CO 0.84 0.13 0.43 -1.54 1.20 0.00 0.00 173.24 174.29 2dm1 n SER 72 N 3.81 -1.20 0.00 5.45 3.41 -1.26 -5.25 113.62 118.58 2dm1 n SER 72 Ca -0.18 -1.02 0.01 0.00 -0.26 0.00 0.00 58.87 57.42 2dm1 n SER 72 Cb 0.52 -1.30 0.05 0.00 -0.26 0.00 0.00 64.21 63.22 2dm1 n SER 72 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49