#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 2.21 -0.43 1.61 0.01 -1.26 -5.07 113.70 110.78 2dm1 s SER 2 Ca 0.00 -0.68 -0.30 0.00 1.31 0.00 0.00 55.95 56.28 2dm1 s SER 2 Cb 0.00 -0.10 -0.10 0.00 0.21 0.00 0.00 66.02 66.03 2dm1 s SER 2 CO 0.00 -0.01 2.32 -1.20 0.41 0.00 0.00 173.24 174.77 2dm1 n SER 3 N 1.08 2.28 -4.58 2.44 7.64 -1.26 -4.90 113.62 116.32 2dm1 n SER 3 Ca -0.20 0.05 -0.41 0.00 1.01 0.00 0.00 58.87 59.33 2dm1 n SER 3 Cb 0.54 -1.40 -0.07 0.00 -1.01 0.00 0.00 64.21 62.27 2dm1 n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dm1 s GLY 4 N 9.24 1.78 -0.12 0.23 0.00 -1.26 -5.03 107.32 112.16 2dm1 s GLY 4 Ca 1.07 -0.81 -0.04 0.00 0.00 0.00 0.00 44.72 44.94 2dm1 s GLY 4 CO 0.39 1.42 0.12 -0.56 0.00 0.00 0.00 173.10 174.47 2dm1 s SER 5 N 1.73 1.52 1.07 1.64 0.01 -1.26 -5.15 113.70 113.26 2dm1 s SER 5 Ca 0.23 -0.16 -0.20 0.00 1.31 0.00 0.00 55.95 57.14 2dm1 s SER 5 Cb -0.15 0.01 0.06 0.00 0.21 0.00 0.00 66.02 66.15 2dm1 s SER 5 CO 0.13 -0.30 -0.26 -1.20 0.41 0.00 0.00 173.24 172.02 2dm1 n SER 6 N 5.30 -2.61 0.00 2.44 7.64 -1.26 -5.02 113.62 120.12 2dm1 n SER 6 Ca -0.05 -0.15 0.00 0.00 1.01 0.00 0.00 58.87 59.67 2dm1 n SER 6 Cb 0.50 -0.82 0.00 0.00 -1.01 0.00 0.00 64.21 62.87 2dm1 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dm1 n GLY 7 N 2.42 3.41 2.92 0.23 0.00 -1.26 -5.11 105.19 107.80 2dm1 n GLY 7 Ca 0.01 -0.86 -0.06 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.11 -2.30 3.54 -0.02 0.00 -1.26 -4.92 105.19 99.12 2dm1 n GLY 8 Ca 0.00 0.66 -0.17 0.00 0.00 0.00 0.00 46.02 46.51 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 -1.75 0.00 -0.02 2.61 -4.23 -1.26 -3.37 115.64 107.62 2dm1 s THR 9 Ca 0.10 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 60.65 2dm1 s THR 9 Cb -0.02 -1.00 -0.01 0.00 1.34 0.00 0.00 72.50 72.81 2dm1 s THR 9 CO 0.65 0.00 -0.14 0.00 -0.54 0.00 0.00 174.62 174.59 2dm1 s ALA 10 N -1.01 1.19 -0.16 3.99 0.00 0.47 -0.85 121.76 125.38 2dm1 s ALA 10 Ca -0.09 -0.57 -0.08 0.00 0.00 0.00 0.00 51.96 51.22 2dm1 s ALA 10 Cb -0.01 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 2dm1 s ALA 10 CO 0.09 0.25 0.12 0.08 0.00 0.00 0.00 175.76 176.30 2dm1 s VAL 11 N -0.13 5.30 -0.54 0.00 1.01 0.77 0.25 120.40 127.05 2dm1 s VAL 11 Ca 0.01 0.14 -0.27 0.00 0.00 0.00 0.00 61.98 61.87 2dm1 s VAL 11 Cb -0.08 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 2dm1 s VAL 11 CO 0.00 0.52 2.05 0.00 0.00 0.00 0.00 175.10 177.67 2dm1 s ALA 12 N -0.22 2.05 -0.72 5.51 0.00 0.11 -0.05 121.76 128.45 2dm1 s ALA 12 Ca 0.10 -0.32 0.26 0.00 0.00 0.00 0.00 51.96 52.01 2dm1 s ALA 12 Cb -0.12 -4.29 0.85 0.00 0.00 0.00 0.00 23.12 19.57 2dm1 s ALA 12 CO 0.01 -3.97 1.78 0.54 0.00 0.00 0.00 175.76 174.12 2dm1 n ARG 13 N 9.06 0.24 -3.97 0.00 5.12 -1.24 -1.63 116.66 124.24 2dm1 n ARG 13 Ca 0.26 0.23 -0.09 0.00 -1.93 0.00 0.00 57.85 56.32 2dm1 n ARG 13 Cb 0.52 -1.79 -0.10 0.00 -1.16 0.00 0.00 32.46 29.93 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 -3.12 0.27 -0.43 -1.55 1.51 -1.26 -4.90 117.35 107.88 2dm1 s TYR 14 Ca 0.10 -0.60 -0.27 0.00 -1.01 0.00 0.00 57.07 55.30 2dm1 s TYR 14 Cb 0.12 -0.20 0.02 0.00 -0.11 0.00 0.00 41.96 41.80 2dm1 s TYR 14 CO 0.57 -0.31 0.99 0.54 -1.11 0.00 0.00 175.55 176.23 2dm1 s ASN 15 N -2.03 6.61 -0.05 2.29 2.20 -1.26 -4.15 114.94 118.56 2dm1 s ASN 15 Ca -0.07 0.40 0.06 0.00 -0.94 0.00 0.00 52.86 52.31 2dm1 s ASN 15 Cb -0.03 -2.49 -0.02 0.00 -2.00 0.00 0.00 41.25 36.72 2dm1 s ASN 15 CO -0.04 -1.04 -0.24 0.12 -2.94 0.00 0.00 177.10 172.96 2dm1 s PHE 16 N 3.85 2.43 -0.27 1.54 2.19 0.14 -4.99 117.98 122.86 2dm1 s PHE 16 Ca 0.41 -0.58 -0.09 0.00 0.33 0.00 0.00 56.93 56.99 2dm1 s PHE 16 Cb -0.10 -1.58 -0.04 0.00 -1.31 0.00 0.00 43.02 40.00 2dm1 s PHE 16 CO 0.25 -0.13 0.14 0.00 1.83 0.00 0.00 175.22 177.31 2dm1 s ALA 17 N -0.34 3.35 -0.62 11.12 0.00 -1.26 -0.76 121.76 133.24 2dm1 s ALA 17 Ca 0.02 -1.15 -0.26 0.00 0.00 0.00 0.00 51.96 50.57 2dm1 s ALA 17 Cb -0.12 -2.31 -0.11 0.00 0.00 0.00 0.00 23.12 20.58 2dm1 s ALA 17 CO 0.02 -0.57 2.44 0.00 0.00 0.00 0.00 175.76 177.65 2dm1 n ALA 18 N 5.00 0.65 -0.27 0.00 0.00 -1.26 -4.81 120.51 119.82 2dm1 n ALA 18 Ca -0.15 -0.97 0.00 0.00 0.00 0.00 0.00 53.44 52.32 2dm1 n ALA 18 Cb 0.51 -3.11 0.07 0.00 0.00 0.00 0.00 19.45 16.92 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 17.18 -0.04 -5.52 0.00 2.47 -1.94 -3.42 114.38 123.11 2dm1 h ARG 19 Ca -0.16 0.00 -0.64 0.00 -1.26 0.00 0.00 59.98 57.92 2dm1 h ARG 19 Cb 1.21 0.01 -0.11 0.00 -1.65 0.00 0.00 29.97 29.43 2dm1 h ARG 19 CO 1.17 -0.03 -0.52 -0.51 0.56 0.00 0.00 179.97 180.64 2dm1 s ASP 20 N -5.24 4.15 0.16 7.04 1.11 -1.26 -5.05 116.67 117.59 2dm1 s ASP 20 Ca -0.14 -1.44 -0.15 0.00 0.18 0.00 0.00 52.55 51.00 2dm1 s ASP 20 Cb 0.21 0.08 0.04 0.00 1.07 0.00 0.00 42.92 44.32 2dm1 s ASP 20 CO 0.73 -0.71 1.81 0.00 1.18 0.00 0.00 175.17 178.18 2dm1 h MET 21 N 1.42 0.63 -0.64 8.23 -0.00 -2.02 -2.75 114.93 119.80 2dm1 h MET 21 Ca -0.43 -0.05 0.13 0.00 -0.00 0.00 0.00 59.70 59.36 2dm1 h MET 21 Cb 1.28 -0.14 -0.10 0.00 -0.00 0.00 0.00 31.60 32.64 2dm1 h MET 21 CO 0.74 0.44 0.05 0.00 -0.00 0.00 0.00 176.91 178.14 2dm1 h ARG 22 N 0.64 0.16 -7.22 -0.10 3.08 -1.95 -3.42 114.38 105.56 2dm1 h ARG 22 Ca 0.17 -0.01 -0.47 0.00 0.07 0.00 0.00 59.98 59.74 2dm1 h ARG 22 Cb -0.04 -0.04 0.19 0.00 0.08 0.00 0.00 29.97 30.17 2dm1 h ARG 22 CO -0.03 0.10 0.12 -1.21 -1.07 0.00 0.00 179.97 177.88 2dm1 s GLU 23 N -6.12 0.03 -0.11 0.04 8.01 -1.04 -0.88 118.70 118.63 2dm1 s GLU 23 Ca -0.13 1.01 0.04 0.00 0.01 0.00 0.00 54.97 55.90 2dm1 s GLU 23 Cb 0.19 -1.65 0.00 0.00 -4.31 0.00 0.00 34.13 28.36 2dm1 s GLU 23 CO 0.74 -3.13 -0.23 -1.17 0.01 0.00 0.00 175.26 171.48 2dm1 s LEU 24 N -6.85 2.07 0.00 1.80 2.96 -0.42 -4.38 118.68 113.87 2dm1 s LEU 24 Ca 0.67 -0.56 -0.30 0.00 -0.22 0.00 0.00 54.13 53.72 2dm1 s LEU 24 Cb -0.23 -1.39 -0.06 0.00 0.50 0.00 0.00 46.19 45.01 2dm1 s LEU 24 CO 0.61 0.13 1.53 -0.44 -1.32 0.00 0.00 176.35 176.86 2dm1 s SER 25 N 0.49 6.74 -0.13 3.68 0.01 -1.26 -4.35 113.70 118.87 2dm1 s SER 25 Ca -0.16 2.24 -0.01 0.00 1.31 0.00 0.00 55.95 59.34 2dm1 s SER 25 Cb -0.17 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.48 2dm1 s SER 25 CO 0.06 -0.82 -0.09 -0.76 0.41 0.00 0.00 173.24 172.04 2dm1 s LEU 26 N 2.86 2.93 -0.01 2.44 1.43 0.06 -4.94 118.68 123.45 2dm1 s LEU 26 Ca 0.69 -0.23 0.07 0.00 -1.03 0.00 0.00 54.13 53.63 2dm1 s LEU 26 Cb -0.34 -1.67 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 2dm1 s LEU 26 CO 0.28 0.19 -0.23 -0.60 0.23 0.00 0.00 176.35 176.23 2dm1 s ARG 27 N 0.19 1.84 -0.74 1.70 6.06 -1.26 0.27 118.95 127.01 2dm1 s ARG 27 Ca -0.05 -0.84 -0.31 0.00 -2.50 0.00 0.00 55.73 52.02 2dm1 s ARG 27 Cb -0.15 -1.80 -0.17 0.00 0.06 0.00 0.00 34.95 32.90 2dm1 s ARG 27 CO 0.04 0.49 2.51 0.39 -2.50 0.00 0.00 175.30 176.24 2dm1 n GLU 28 N 2.47 0.40 0.00 5.12 1.02 -1.26 0.27 120.64 128.65 2dm1 n GLU 28 Ca -0.16 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 2dm1 n GLU 28 Cb 0.52 -2.11 0.00 0.00 -0.02 0.00 0.00 31.44 29.83 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 6.48 2.42 3.67 0.62 0.00 -0.65 -5.02 105.19 112.71 2dm1 n GLY 29 Ca 0.55 -0.71 -0.49 0.00 0.00 0.00 0.00 46.02 45.37 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 2.89 -4.47 1.61 8.00 0.14 -4.58 116.55 120.14 2dm1 n ASP 30 Ca 0.00 1.05 -0.43 0.00 0.71 0.00 0.00 54.79 56.12 2dm1 n ASP 30 Cb 0.00 -1.33 -0.10 0.00 -0.02 0.00 0.00 41.12 39.68 2dm1 n ASP 30 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2dm1 s VAL 31 N 2.32 5.20 -0.02 2.53 1.01 -1.26 -0.71 120.40 129.47 2dm1 s VAL 31 Ca 0.87 -0.52 -0.19 0.00 0.00 0.00 0.00 61.98 62.15 2dm1 s VAL 31 Cb -0.78 -3.95 -0.05 0.00 0.00 0.00 0.00 36.38 31.59 2dm1 s VAL 31 CO 0.48 -0.33 0.53 -0.69 0.00 0.00 0.00 175.10 175.09 2dm1 s VAL 32 N 1.84 4.97 -0.54 2.92 1.01 0.14 -4.47 120.40 126.27 2dm1 s VAL 32 Ca 0.08 1.10 -0.18 0.00 0.00 0.00 0.00 61.98 62.98 2dm1 s VAL 32 Cb -0.18 -3.86 0.09 0.00 0.00 0.00 0.00 36.38 32.43 2dm1 s VAL 32 CO 0.11 0.45 0.58 -0.60 0.00 0.00 0.00 175.10 175.64 2dm1 s ARG 33 N -0.30 3.04 -0.07 2.72 3.52 -0.99 -0.40 118.95 126.47 2dm1 s ARG 33 Ca 0.28 -1.31 -0.30 0.00 -0.13 0.00 0.00 55.73 54.28 2dm1 s ARG 33 Cb -0.17 -4.21 -0.08 0.00 -1.56 0.00 0.00 34.95 28.93 2dm1 s ARG 33 CO 0.15 -1.32 2.05 -0.89 -0.81 0.00 0.00 175.30 174.48 2dm1 n ILE 34 N 5.43 0.60 -0.11 4.11 5.41 -1.22 -3.51 119.36 130.08 2dm1 n ILE 34 Ca -0.10 -0.24 -0.18 0.00 1.00 0.00 0.00 62.75 63.23 2dm1 n ILE 34 Cb 0.43 -2.32 -0.06 0.00 -0.71 0.00 0.00 39.64 36.98 2dm1 n ILE 34 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 2dm1 n TYR 35 N 8.76 0.06 -5.05 1.39 4.01 0.69 -4.83 117.16 122.19 2dm1 n TYR 35 Ca 0.24 0.03 -0.28 0.00 -0.16 0.00 0.00 57.90 57.72 2dm1 n TYR 35 Cb 0.40 -0.73 -0.16 0.00 -0.31 0.00 0.00 39.34 38.54 2dm1 n TYR 35 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2dm1 s SER 36 N -6.57 2.58 -0.07 7.72 0.15 -1.13 -5.01 113.70 111.37 2dm1 s SER 36 Ca -0.32 -0.42 -0.01 0.00 0.70 0.00 0.00 55.95 55.90 2dm1 s SER 36 Cb 0.08 -0.56 -0.26 0.00 -1.71 0.00 0.00 66.02 63.58 2dm1 s SER 36 CO 0.45 0.22 0.55 0.03 1.20 0.00 0.00 173.24 175.69 2dm1 h ARG 37 N 5.95 0.20 -5.37 5.44 3.08 -1.90 -2.56 114.38 119.22 2dm1 h ARG 37 Ca -0.35 -0.33 -0.62 0.00 0.07 0.00 0.00 59.98 58.75 2dm1 h ARG 37 Cb 1.16 0.12 -0.13 0.00 0.08 0.00 0.00 29.97 31.21 2dm1 h ARG 37 CO 0.47 1.00 0.01 0.42 -1.07 0.00 0.00 179.97 180.80 2dm1 s ILE 38 N -2.58 5.05 0.00 2.04 1.01 -1.26 -4.66 121.20 120.81 2dm1 s ILE 38 Ca -0.15 0.90 0.00 0.00 0.00 0.00 0.00 60.65 61.40 2dm1 s ILE 38 Cb 0.07 -3.85 0.00 0.00 0.01 0.00 0.00 42.46 38.69 2dm1 s ILE 38 CO 0.80 0.07 0.00 0.61 0.00 0.00 0.00 174.94 176.42 2dm1 n GLY 39 N 4.38 4.68 1.75 6.18 0.00 -1.26 -5.01 105.19 115.90 2dm1 n GLY 39 Ca -0.04 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.76 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 -1.96 1.20 3.25 -0.02 0.00 -1.26 -4.54 105.19 101.86 2dm1 n GLY 40 Ca 0.00 -0.61 -0.15 0.00 0.00 0.00 0.00 46.02 45.26 2dm1 n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dm1 s ASP 41 N -4.00 0.76 -0.53 1.61 1.01 -1.26 -5.05 116.67 109.21 2dm1 s ASP 41 Ca 0.00 -1.49 -0.26 0.00 0.71 0.00 0.00 52.55 51.50 2dm1 s ASP 41 Cb 0.00 0.40 -0.04 0.00 1.01 0.00 0.00 42.92 44.29 2dm1 s ASP 41 CO 0.00 -0.89 2.13 0.00 0.21 0.00 0.00 175.17 176.62 2dm1 s GLN 42 N -3.95 2.41 0.00 8.23 -2.07 -1.26 -1.84 119.66 121.19 2dm1 s GLN 42 Ca 0.39 1.06 0.00 0.00 -1.82 0.00 0.00 55.36 54.99 2dm1 s GLN 42 Cb 0.06 -4.48 0.00 0.00 -1.09 0.00 0.00 33.01 27.50 2dm1 s GLN 42 CO 0.16 -2.95 0.00 0.41 -1.32 0.00 0.00 175.29 171.60 2dm1 n GLY 43 N 5.84 1.66 3.15 2.60 0.00 -1.26 -5.09 105.19 112.08 2dm1 n GLY 43 Ca 0.29 -0.15 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.01 1.32 0.33 1.61 0.52 -0.77 -3.30 118.94 116.65 2dm1 s TRP 44 Ca 0.00 -0.32 0.08 0.00 0.02 0.00 0.00 56.10 55.88 2dm1 s TRP 44 Cb 0.00 -0.80 -0.06 0.00 -1.15 0.00 0.00 33.47 31.45 2dm1 s TRP 44 CO 0.00 0.03 -0.06 -1.58 0.02 0.00 0.00 176.95 175.36 2dm1 s TRP 45 N -0.69 2.25 -0.21 -1.98 0.51 -1.12 -4.56 118.94 113.15 2dm1 s TRP 45 Ca 0.04 -0.62 -0.01 0.00 -2.12 0.00 0.00 56.10 53.39 2dm1 s TRP 45 Cb -0.07 -1.35 0.01 0.00 -0.81 0.00 0.00 33.47 31.25 2dm1 s TRP 45 CO 0.01 0.43 -0.13 0.21 -0.51 0.00 0.00 176.95 176.96 2dm1 s LYS 46 N -3.68 3.05 0.00 4.98 2.20 -0.96 -2.57 119.74 122.75 2dm1 s LYS 46 Ca 0.32 -0.81 0.00 0.00 -0.36 0.00 0.00 55.97 55.12 2dm1 s LYS 46 Cb 0.04 -2.78 0.00 0.00 -1.51 0.00 0.00 37.83 33.58 2dm1 s LYS 46 CO 0.15 -0.25 0.00 0.41 -0.36 0.00 0.00 175.35 175.30 2dm1 n GLY 47 N 4.67 5.58 3.64 5.54 0.00 -1.24 -0.22 105.19 123.16 2dm1 n GLY 47 Ca -0.19 -1.05 -0.06 0.00 0.00 0.00 0.00 46.02 44.72 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 4.32 0.29 -0.13 1.61 -6.30 -1.23 -3.98 118.70 113.28 2dm1 s GLU 48 Ca 0.00 0.32 -0.05 0.00 -2.50 0.00 0.00 54.97 52.74 2dm1 s GLU 48 Cb 0.00 0.14 0.06 0.00 0.00 0.00 0.00 34.13 34.33 2dm1 s GLU 48 CO 0.00 -0.04 0.27 -0.08 0.02 0.00 0.00 175.26 175.44 2dm1 s THR 49 N 0.07 -0.33 -1.50 -1.70 -1.32 -0.18 -2.35 115.64 108.33 2dm1 s THR 49 Ca 0.05 0.24 0.00 0.00 -1.21 0.00 0.00 61.69 60.77 2dm1 s THR 49 Cb -0.05 -0.45 0.00 0.00 -1.51 0.00 0.00 72.50 70.49 2dm1 s THR 49 CO -0.11 0.10 0.00 0.59 -2.21 0.00 0.00 174.62 172.99 2dm1 n ASN 50 N 5.07 -5.08 0.00 8.08 3.02 -1.26 -1.35 115.26 123.73 2dm1 n ASN 50 Ca -0.11 0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.45 2dm1 n ASN 50 Cb 0.51 -4.17 0.00 0.00 -0.61 0.00 0.00 39.78 35.51 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 -1.01 1.06 3.63 7.41 0.00 -1.26 -5.02 105.19 110.01 2dm1 n GLY 51 Ca -0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.26 4.09 0.25 1.61 3.00 -0.46 -5.07 118.95 122.11 2dm1 s ARG 52 Ca 0.00 0.25 0.09 0.00 0.00 0.00 0.00 55.73 56.07 2dm1 s ARG 52 Cb 0.00 -3.62 -0.04 0.00 0.00 0.00 0.00 34.95 31.29 2dm1 s ARG 52 CO 0.00 -0.25 0.02 0.42 0.00 0.00 0.00 175.30 175.49 2dm1 s ILE 53 N 1.99 3.63 0.00 1.52 1.01 -1.26 -1.01 121.20 127.08 2dm1 s ILE 53 Ca 0.20 -1.76 0.00 0.00 0.00 0.00 0.00 60.65 59.08 2dm1 s ILE 53 Cb -0.15 -2.93 0.00 0.00 0.01 0.00 0.00 42.46 39.39 2dm1 s ILE 53 CO 0.09 -0.33 0.00 0.61 0.00 0.00 0.00 174.94 175.31 2dm1 n GLY 54 N -0.81 0.99 3.68 6.18 0.00 -1.26 -4.67 105.19 109.30 2dm1 n GLY 54 Ca -0.07 -1.56 -0.40 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.69 3.42 0.02 1.61 0.52 -0.06 -3.71 118.94 119.06 2dm1 s TRP 55 Ca 0.00 0.95 0.05 0.00 0.02 0.00 0.00 56.10 57.12 2dm1 s TRP 55 Cb 0.00 -2.75 -0.02 0.00 -1.15 0.00 0.00 33.47 29.55 2dm1 s TRP 55 CO 0.00 -0.08 -0.14 -0.59 0.02 0.00 0.00 176.95 176.16 2dm1 s PHE 56 N 1.55 1.24 0.13 -1.98 -0.71 -1.06 -1.31 117.98 115.83 2dm1 s PHE 56 Ca 0.29 -0.32 -0.31 0.00 -1.04 0.00 0.00 56.93 55.56 2dm1 s PHE 56 Cb -0.16 -0.75 -0.08 0.00 -1.21 0.00 0.00 43.02 40.82 2dm1 s PHE 56 CO 0.11 0.02 1.35 -1.25 -1.34 0.00 0.00 175.22 174.11 2dm1 s PRO 57 N -0.89 4.35 0.60 1.99 0.04 -1.26 -2.80 135.00 137.02 2dm1 s PRO 57 Ca 0.03 2.04 0.38 0.00 0.04 0.00 0.00 61.00 63.49 2dm1 s PRO 57 Cb -0.07 -3.25 1.83 0.00 0.04 0.00 0.00 34.50 33.05 2dm1 s PRO 57 CO 0.01 -0.38 2.15 0.66 0.04 0.00 0.00 177.00 179.48 2dm1 h SER 58 N 6.50 0.00 0.34 6.66 4.64 -1.91 -2.24 113.55 127.54 2dm1 h SER 58 Ca -0.43 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.80 2dm1 h SER 58 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 2dm1 h SER 58 CO 0.84 0.00 -0.41 0.71 -0.87 0.00 0.00 176.83 177.10 2dm1 h THR 59 N 0.00 1.30 -0.70 2.95 1.35 -1.91 -2.81 112.91 113.10 2dm1 h THR 59 Ca 0.00 -1.45 -0.40 0.00 -0.55 0.00 0.00 66.41 64.00 2dm1 h THR 59 Cb 0.29 1.73 -0.21 0.00 -1.73 0.00 0.00 68.15 68.22 2dm1 h THR 59 CO 0.00 0.42 0.52 -1.22 -0.25 0.00 0.00 175.52 174.99 2dm1 n TYR 60 N -4.04 2.19 -3.45 4.73 4.02 -0.84 -4.89 117.16 114.88 2dm1 n TYR 60 Ca -0.02 -1.80 -0.13 0.00 -0.01 0.00 0.00 57.90 55.95 2dm1 n TYR 60 Cb 0.45 -0.89 -0.03 0.00 -0.02 0.00 0.00 39.34 38.85 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 -2.69 0.00 -0.17 -0.72 -7.23 -1.06 -3.63 120.40 104.90 2dm1 s VAL 61 Ca 0.42 -0.03 0.01 0.00 -1.81 0.00 0.00 61.98 60.57 2dm1 s VAL 61 Cb 0.34 -1.01 0.02 0.00 0.56 0.00 0.00 36.38 36.30 2dm1 s VAL 61 CO 0.05 -0.02 -0.17 -0.70 -0.31 0.00 0.00 175.10 173.95 2dm1 s GLU 62 N -3.33 2.68 -0.41 4.82 2.56 0.92 -4.84 118.70 121.11 2dm1 s GLU 62 Ca -0.01 -0.76 -0.28 0.00 0.00 0.00 0.00 54.97 53.92 2dm1 s GLU 62 Cb -0.01 -2.42 -0.01 0.00 2.00 0.00 0.00 34.13 33.69 2dm1 s GLU 62 CO -0.09 -0.24 1.70 -1.21 -0.56 0.00 0.00 175.26 174.86 2dm1 s GLU 63 N 1.35 3.27 0.48 4.30 2.02 -1.26 -0.16 118.70 128.70 2dm1 s GLU 63 Ca 0.04 1.13 -0.21 0.00 0.02 0.00 0.00 54.97 55.95 2dm1 s GLU 63 Cb -0.13 -4.19 -0.10 0.00 0.10 0.00 0.00 34.13 29.80 2dm1 s GLU 63 CO -0.12 -1.94 0.64 0.39 0.02 0.00 0.00 175.26 174.25 2dm1 n GLU 64 N 8.49 0.70 0.00 1.61 -0.58 -0.03 -4.83 120.64 126.00 2dm1 n GLU 64 Ca 0.21 0.26 0.00 0.00 -0.42 0.00 0.00 57.16 57.21 2dm1 n GLU 64 Cb 0.48 -1.70 0.00 0.00 -0.57 0.00 0.00 31.44 29.65 2dm1 n GLU 64 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2dm1 n GLY 65 N 1.66 -1.30 3.11 0.62 0.00 -1.26 -4.80 105.19 103.21 2dm1 n GLY 65 Ca 0.11 0.73 -0.37 0.00 0.00 0.00 0.00 46.02 46.49 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 0.08 -3.83 -0.61 -6.64 -1.26 -4.92 119.36 102.17 2dm1 n ILE 66 Ca 0.00 -0.48 -0.32 0.00 -1.77 0.00 0.00 62.75 60.18 2dm1 n ILE 66 Cb 0.00 -0.06 -0.11 0.00 -1.44 0.00 0.00 39.64 38.03 2dm1 n ILE 66 CO 0.00 0.00 0.00 -1.10 -1.77 0.00 0.00 176.55 173.68 2dm1 s GLN 67 N -1.80 2.47 -0.10 6.28 -0.21 -1.26 -5.07 119.66 119.97 2dm1 s GLN 67 Ca 0.47 -2.95 -0.41 0.00 0.02 0.00 0.00 55.36 52.50 2dm1 s GLN 67 Cb -0.28 -3.55 -0.19 0.00 1.00 0.00 0.00 33.01 29.99 2dm1 s GLN 67 CO 0.76 -1.20 1.30 0.43 -2.12 0.00 0.00 175.29 174.46 2dm1 n SER 68 N 2.69 0.86 0.00 5.90 7.64 -1.26 -4.54 113.62 124.91 2dm1 n SER 68 Ca 0.13 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.16 2dm1 n SER 68 Cb 0.35 -1.00 0.00 0.00 -1.01 0.00 0.00 64.21 62.55 2dm1 n SER 68 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dm1 n GLY 69 N 2.49 -0.83 3.77 0.23 0.00 -1.26 -5.01 105.19 104.58 2dm1 n GLY 69 Ca 0.22 -2.08 -0.39 0.00 0.00 0.00 0.00 46.02 43.78 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 0.00 4.08 0.29 1.61 0.04 -1.26 -5.04 135.00 134.72 2dm1 s PRO 70 Ca 0.00 1.90 0.00 0.00 0.04 0.00 0.00 61.00 62.95 2dm1 s PRO 70 Cb 0.00 -2.73 -0.04 0.00 0.04 0.00 0.00 34.50 31.77 2dm1 s PRO 70 CO 0.00 -0.31 0.48 -1.54 0.04 0.00 0.00 177.00 175.67 2dm1 s SER 71 N -1.03 6.34 0.40 6.66 1.04 -1.26 -5.05 113.70 120.80 2dm1 s SER 71 Ca 0.56 0.42 0.05 0.00 0.48 0.00 0.00 55.95 57.45 2dm1 s SER 71 Cb -0.32 -2.02 -0.02 0.00 0.10 0.00 0.00 66.02 63.76 2dm1 s SER 71 CO 0.41 -0.19 0.17 -0.44 0.98 0.00 0.00 173.24 174.17 2dm1 s SER 72 N -3.71 2.60 0.00 7.02 0.01 -1.26 -5.26 113.70 113.10 2dm1 s SER 72 Ca 0.39 -1.73 0.00 0.00 1.31 0.00 0.00 55.95 55.92 2dm1 s SER 72 Cb -0.10 0.58 0.00 0.00 0.21 0.00 0.00 66.02 66.71 2dm1 s SER 72 CO 0.33 -1.00 0.00 0.61 0.41 0.00 0.00 173.24 173.59