#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 1.01 -4.42 1.61 7.64 -1.26 -5.01 113.62 113.19 2dm1 n SER 2 Ca 0.00 0.04 -0.38 0.00 1.01 0.00 0.00 58.87 59.54 2dm1 n SER 2 Cb 0.00 -0.13 -0.08 0.00 -1.01 0.00 0.00 64.21 62.99 2dm1 n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dm1 n SER 3 N -3.10 -0.97 -3.06 6.43 7.64 -1.26 -4.91 113.62 114.39 2dm1 n SER 3 Ca -0.09 -1.23 0.00 0.00 1.01 0.00 0.00 58.87 58.56 2dm1 n SER 3 Cb 0.57 -1.75 0.00 0.00 -1.01 0.00 0.00 64.21 62.02 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 -1.63 -0.66 3.57 0.23 0.00 -1.26 -4.89 105.19 100.55 2dm1 n GLY 4 Ca -0.05 -1.58 -0.41 0.00 0.00 0.00 0.00 46.02 43.98 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 -1.06 6.57 -0.12 1.61 0.01 -1.26 -4.95 113.70 114.50 2dm1 s SER 5 Ca 0.00 -1.92 -0.29 0.00 1.31 0.00 0.00 55.95 55.05 2dm1 s SER 5 Cb 0.00 -2.58 -0.06 0.00 0.21 0.00 0.00 66.02 63.59 2dm1 s SER 5 CO 0.00 -1.44 2.06 -0.44 0.41 0.00 0.00 173.24 173.83 2dm1 s SER 6 N 4.76 5.95 0.04 2.44 0.01 -1.26 -4.94 113.70 120.69 2dm1 s SER 6 Ca 0.51 2.18 -0.21 0.00 1.31 0.00 0.00 55.95 59.74 2dm1 s SER 6 Cb 0.02 -2.52 0.05 0.00 0.21 0.00 0.00 66.02 63.77 2dm1 s SER 6 CO -0.00 -1.52 0.48 -0.83 0.41 0.00 0.00 173.24 171.78 2dm1 s GLY 7 N 6.32 -0.37 -1.06 3.44 0.00 -1.26 -4.98 107.32 109.42 2dm1 s GLY 7 Ca 0.93 0.53 -0.21 0.00 0.00 0.00 0.00 44.72 45.97 2dm1 s GLY 7 CO 0.37 0.25 0.64 0.61 0.00 0.00 0.00 173.10 174.98 2dm1 n GLY 8 N 0.53 -1.03 3.28 0.20 0.00 -1.26 -4.71 105.19 102.20 2dm1 n GLY 8 Ca -0.19 0.44 -0.25 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.31 1.74 0.20 2.61 -4.23 -1.26 -1.37 115.64 110.02 2dm1 s THR 9 Ca 0.30 -1.36 0.06 0.00 -1.18 0.00 0.00 61.69 59.50 2dm1 s THR 9 Cb -0.17 -1.54 -0.05 0.00 1.34 0.00 0.00 72.50 72.09 2dm1 s THR 9 CO 0.94 0.11 -0.11 0.00 -0.54 0.00 0.00 174.62 175.03 2dm1 s ALA 10 N -0.94 1.87 -0.04 3.99 0.00 0.33 -2.05 121.76 124.91 2dm1 s ALA 10 Ca 0.08 -1.65 0.06 0.00 0.00 0.00 0.00 51.96 50.45 2dm1 s ALA 10 Cb -0.09 0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.06 2dm1 s ALA 10 CO 0.03 -0.03 -0.24 0.54 0.00 0.00 0.00 175.76 176.06 2dm1 s VAL 11 N -3.13 1.95 -0.27 0.00 0.11 -0.38 -0.23 120.40 118.45 2dm1 s VAL 11 Ca 0.22 -1.03 -0.29 0.00 -2.93 0.00 0.00 61.98 57.96 2dm1 s VAL 11 Cb 0.01 -1.64 -0.02 0.00 -1.53 0.00 0.00 36.38 33.20 2dm1 s VAL 11 CO 0.06 0.55 1.67 0.00 -3.33 0.00 0.00 175.10 174.04 2dm1 s ALA 12 N -0.28 3.11 -1.32 1.54 0.00 -0.78 0.16 121.76 124.19 2dm1 s ALA 12 Ca 0.01 0.35 0.27 0.00 0.00 0.00 0.00 51.96 52.59 2dm1 s ALA 12 Cb -0.12 -3.92 0.81 0.00 0.00 0.00 0.00 23.12 19.90 2dm1 s ALA 12 CO 0.02 -2.22 1.61 0.54 0.00 0.00 0.00 175.76 175.71 2dm1 n ARG 13 N 7.97 0.35 -3.67 0.00 5.12 0.13 -2.00 116.66 124.56 2dm1 n ARG 13 Ca 0.20 -0.17 -0.15 0.00 -1.93 0.00 0.00 57.85 55.80 2dm1 n ARG 13 Cb 0.46 -1.50 -0.08 0.00 -1.16 0.00 0.00 32.46 30.18 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 -2.77 -0.48 0.29 -1.55 2.02 -1.16 -4.96 117.35 108.75 2dm1 s TYR 14 Ca 0.18 0.99 -0.29 0.00 -0.37 0.00 0.00 57.07 57.58 2dm1 s TYR 14 Cb 0.19 0.22 -0.10 0.00 -0.40 0.00 0.00 41.96 41.87 2dm1 s TYR 14 CO 0.59 -0.39 1.24 0.54 -1.57 0.00 0.00 175.55 175.96 2dm1 s ASN 15 N -0.56 6.95 -0.02 2.29 2.20 -1.26 -4.55 114.94 119.99 2dm1 s ASN 15 Ca -0.07 2.50 0.01 0.00 -0.94 0.00 0.00 52.86 54.36 2dm1 s ASN 15 Cb -0.03 -2.63 0.01 0.00 -2.00 0.00 0.00 41.25 36.60 2dm1 s ASN 15 CO 0.04 -0.41 -0.03 0.12 -2.94 0.00 0.00 177.10 173.87 2dm1 s PHE 16 N -0.88 0.50 -0.54 1.54 5.36 0.62 -4.96 117.98 119.61 2dm1 s PHE 16 Ca 0.49 -0.10 -0.15 0.00 -0.96 0.00 0.00 56.93 56.22 2dm1 s PHE 16 Cb -0.37 -0.44 0.13 0.00 -0.34 0.00 0.00 43.02 42.01 2dm1 s PHE 16 CO 0.46 -0.10 0.49 0.00 -1.46 0.00 0.00 175.22 174.61 2dm1 s ALA 17 N 0.53 3.62 -0.28 11.12 0.00 -1.26 -2.27 121.76 133.23 2dm1 s ALA 17 Ca -0.06 -2.58 -0.41 0.00 0.00 0.00 0.00 51.96 48.91 2dm1 s ALA 17 Cb -0.09 -3.20 -0.17 0.00 0.00 0.00 0.00 23.12 19.66 2dm1 s ALA 17 CO -0.00 -2.01 1.64 0.00 0.00 0.00 0.00 175.76 175.38 2dm1 n ALA 18 N 5.12 -0.71 -0.22 0.00 0.00 -1.26 -4.84 120.51 118.60 2dm1 n ALA 18 Ca -0.12 0.44 -0.08 0.00 0.00 0.00 0.00 53.44 53.68 2dm1 n ALA 18 Cb 0.40 -2.12 0.03 0.00 0.00 0.00 0.00 19.45 17.77 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 6.22 1.02 -4.79 0.00 2.47 -1.95 -3.46 114.38 113.89 2dm1 h ARG 19 Ca -0.46 -0.26 -0.35 0.00 -1.26 0.00 0.00 59.98 57.65 2dm1 h ARG 19 Cb 1.34 -0.13 -0.14 0.00 -1.65 0.00 0.00 29.97 29.39 2dm1 h ARG 19 CO 0.93 0.94 -0.58 0.16 0.56 0.00 0.00 179.97 181.98 2dm1 s ASP 20 N -6.37 1.05 0.15 7.04 1.47 -1.26 -5.06 116.67 113.69 2dm1 s ASP 20 Ca -0.12 -1.50 -0.17 0.00 1.18 0.00 0.00 52.55 51.93 2dm1 s ASP 20 Cb 0.14 0.37 0.00 0.00 -0.34 0.00 0.00 42.92 43.09 2dm1 s ASP 20 CO 0.83 -0.87 1.80 0.24 0.68 0.00 0.00 175.17 177.85 2dm1 h MET 21 N 2.36 0.43 -0.95 2.11 2.86 -2.02 -2.54 114.93 117.19 2dm1 h MET 21 Ca -0.34 -0.03 0.30 0.00 -2.06 0.00 0.00 59.70 57.57 2dm1 h MET 21 Cb 1.25 -0.10 -0.16 0.00 0.06 0.00 0.00 31.60 32.65 2dm1 h MET 21 CO 0.51 0.28 0.32 0.00 1.06 0.00 0.00 176.91 179.09 2dm1 h ARG 22 N 0.44 0.14 0.00 1.72 2.47 -1.96 -3.40 114.38 113.79 2dm1 h ARG 22 Ca 0.13 -0.01 -0.43 0.00 -1.26 0.00 0.00 59.98 58.42 2dm1 h ARG 22 Cb -0.02 -0.03 0.18 0.00 -1.65 0.00 0.00 29.97 28.45 2dm1 h ARG 22 CO -0.05 0.09 0.35 0.39 0.56 0.00 0.00 179.97 181.31 2dm1 n GLU 23 N -5.26 -1.81 -3.80 0.04 1.02 -0.96 -1.22 120.64 108.65 2dm1 n GLU 23 Ca 0.27 -2.01 -0.20 0.00 -0.02 0.00 0.00 57.16 55.20 2dm1 n GLU 23 Cb 0.88 -1.46 -0.17 0.00 -0.02 0.00 0.00 31.44 30.67 2dm1 n GLU 23 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2dm1 s LEU 24 N 0.00 0.65 0.54 -4.62 2.96 0.45 -4.17 118.68 114.50 2dm1 s LEU 24 Ca 0.75 -0.03 -0.20 0.00 -0.22 0.00 0.00 54.13 54.44 2dm1 s LEU 24 Cb -0.03 -0.30 -0.05 0.00 0.50 0.00 0.00 46.19 46.30 2dm1 s LEU 24 CO 0.54 -0.18 1.17 -0.94 -1.32 0.00 0.00 176.35 175.62 2dm1 s SER 25 N 1.72 5.64 -0.05 3.68 1.04 -1.26 -4.51 113.70 119.96 2dm1 s SER 25 Ca 0.00 2.29 0.05 0.00 0.48 0.00 0.00 55.95 58.77 2dm1 s SER 25 Cb -0.13 -2.59 -0.00 0.00 0.10 0.00 0.00 66.02 63.40 2dm1 s SER 25 CO -0.03 -1.28 -0.19 -0.76 0.98 0.00 0.00 173.24 171.96 2dm1 s LEU 26 N -3.70 1.94 -0.04 2.42 1.43 -0.96 -4.96 118.68 114.82 2dm1 s LEU 26 Ca 0.72 -0.39 0.06 0.00 -1.03 0.00 0.00 54.13 53.49 2dm1 s LEU 26 Cb -0.28 -1.06 -0.02 0.00 0.03 0.00 0.00 46.19 44.86 2dm1 s LEU 26 CO 0.31 0.17 -0.21 -0.60 0.23 0.00 0.00 176.35 176.25 2dm1 s ARG 27 N 0.03 2.33 -0.40 1.70 3.52 -1.26 -0.28 118.95 124.58 2dm1 s ARG 27 Ca -0.05 -0.84 -0.41 0.00 -0.13 0.00 0.00 55.73 54.31 2dm1 s ARG 27 Cb -0.12 -2.19 -0.16 0.00 -1.56 0.00 0.00 34.95 30.92 2dm1 s ARG 27 CO 0.03 0.56 2.00 0.39 -0.81 0.00 0.00 175.30 177.47 2dm1 n GLU 28 N 2.47 0.59 0.00 5.12 1.02 -1.26 0.46 120.64 129.04 2dm1 n GLU 28 Ca -0.17 0.18 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 2dm1 n GLU 28 Cb 0.52 -1.93 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 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 6.05 2.73 3.64 0.62 0.00 -0.85 -5.00 105.19 112.39 2dm1 n GLY 29 Ca 0.42 -0.61 -0.58 0.00 0.00 0.00 0.00 46.02 45.24 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 0.41 2.04 -4.51 1.61 8.00 0.17 -4.55 116.55 119.72 2dm1 n ASP 30 Ca 0.00 0.97 -0.43 0.00 0.71 0.00 0.00 54.79 56.04 2dm1 n ASP 30 Cb 0.00 -1.09 -0.07 0.00 -0.02 0.00 0.00 41.12 39.94 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 4.20 4.83 0.00 2.53 1.01 -1.26 -1.86 120.40 129.86 2dm1 s VAL 31 Ca 1.03 0.04 -0.14 0.00 0.00 0.00 0.00 61.98 62.91 2dm1 s VAL 31 Cb -1.15 -4.22 -0.06 0.00 0.00 0.00 0.00 36.38 30.96 2dm1 s VAL 31 CO 0.66 -0.62 0.40 -0.69 0.00 0.00 0.00 175.10 174.85 2dm1 s VAL 32 N 2.80 5.05 -0.48 2.92 1.01 0.68 -4.63 120.40 127.75 2dm1 s VAL 32 Ca 0.22 0.77 -0.14 0.00 0.00 0.00 0.00 61.98 62.83 2dm1 s VAL 32 Cb -0.15 -3.69 0.09 0.00 0.00 0.00 0.00 36.38 32.64 2dm1 s VAL 32 CO 0.18 0.55 0.39 -0.13 0.00 0.00 0.00 175.10 176.10 2dm1 s ARG 33 N -1.17 2.87 -0.34 2.72 0.52 -1.05 -0.52 118.95 121.97 2dm1 s ARG 33 Ca 0.24 -1.51 -0.27 0.00 -0.52 0.00 0.00 55.73 53.67 2dm1 s ARG 33 Cb -0.16 -4.10 -0.05 0.00 0.52 0.00 0.00 34.95 31.16 2dm1 s ARG 33 CO 0.13 -1.11 2.22 0.42 0.02 0.00 0.00 175.30 176.98 2dm1 s ILE 34 N 1.56 3.08 -0.14 1.52 1.01 -0.47 -3.39 121.20 124.37 2dm1 s ILE 34 Ca 0.04 0.07 -0.12 0.00 0.00 0.00 0.00 60.65 60.64 2dm1 s ILE 34 Cb -0.26 -3.13 -0.09 0.00 0.01 0.00 0.00 42.46 38.98 2dm1 s ILE 34 CO 0.04 -0.10 0.14 1.88 0.00 0.00 0.00 174.94 176.90 2dm1 h TYR 35 N 16.35 0.00 -4.15 3.97 0.05 -1.31 -3.46 116.97 128.41 2dm1 h TYR 35 Ca -0.34 0.00 -0.61 0.00 0.05 0.00 0.00 58.73 57.84 2dm1 h TYR 35 Cb 1.24 0.00 -0.25 0.00 1.01 0.00 0.00 36.73 38.72 2dm1 h TYR 35 CO 0.95 0.45 -0.85 -1.12 -1.05 0.00 0.00 178.16 176.55 2dm1 s SER 36 N -5.96 2.67 -0.17 3.88 0.01 -1.09 -5.03 113.70 108.01 2dm1 s SER 36 Ca -0.13 -0.57 0.03 0.00 1.31 0.00 0.00 55.95 56.59 2dm1 s SER 36 Cb 0.01 -0.21 -0.12 0.00 0.21 0.00 0.00 66.02 65.91 2dm1 s SER 36 CO 0.30 0.17 -0.13 0.54 0.41 0.00 0.00 173.24 174.52 2dm1 n ARG 37 N 1.68 0.58 -3.54 12.44 1.74 -1.26 -2.39 116.66 125.91 2dm1 n ARG 37 Ca -0.17 0.09 -0.37 0.00 -0.77 0.00 0.00 57.85 56.63 2dm1 n ARG 37 Cb 0.53 -1.35 -0.06 0.00 -1.02 0.00 0.00 32.46 30.56 2dm1 n ARG 37 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 2dm1 s ILE 38 N -2.35 5.06 0.00 0.55 -4.36 -1.26 -4.48 121.20 114.37 2dm1 s ILE 38 Ca -0.22 0.68 0.00 0.00 -0.26 0.00 0.00 60.65 60.85 2dm1 s ILE 38 Cb 0.06 -3.68 0.00 0.00 1.25 0.00 0.00 42.46 40.09 2dm1 s ILE 38 CO 0.42 0.47 0.00 0.61 0.24 0.00 0.00 174.94 176.68 2dm1 n GLY 39 N 1.47 3.94 0.00 6.27 0.00 -1.26 -5.06 105.19 110.55 2dm1 n GLY 39 Ca -0.12 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.05 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 0.77 3.56 -0.02 0.00 -1.26 -5.08 105.19 103.16 2dm1 n GLY 40 Ca 0.00 -1.95 -0.28 0.00 0.00 0.00 0.00 46.02 43.78 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 -1.00 1.59 -0.94 1.61 1.11 -1.26 -4.85 116.67 112.93 2dm1 s ASP 41 Ca 0.00 1.41 -0.24 0.00 0.18 0.00 0.00 52.55 53.90 2dm1 s ASP 41 Cb 0.00 -2.15 -0.02 0.00 1.07 0.00 0.00 42.92 41.83 2dm1 s ASP 41 CO 0.00 -3.81 1.80 -1.10 1.18 0.00 0.00 175.17 173.25 2dm1 s GLN 42 N -4.65 2.86 0.00 8.23 -0.21 -1.26 -2.64 119.66 121.99 2dm1 s GLN 42 Ca 0.67 -0.55 0.00 0.00 0.02 0.00 0.00 55.36 55.51 2dm1 s GLN 42 Cb -0.23 -5.15 0.00 0.00 1.00 0.00 0.00 33.01 28.63 2dm1 s GLN 42 CO 0.62 -3.05 0.00 0.41 -2.12 0.00 0.00 175.29 171.15 2dm1 n GLY 43 N 6.85 1.55 2.98 3.09 0.00 -1.26 -5.15 105.19 113.24 2dm1 n GLY 43 Ca 0.38 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.31 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 -1.55 0.21 0.42 1.61 0.52 -1.08 -3.71 118.94 115.36 2dm1 s TRP 44 Ca 0.00 -0.43 0.03 0.00 0.02 0.00 0.00 56.10 55.73 2dm1 s TRP 44 Cb 0.00 -0.15 -0.02 0.00 -1.15 0.00 0.00 33.47 32.14 2dm1 s TRP 44 CO 0.00 -0.17 0.11 -1.58 0.02 0.00 0.00 176.95 175.33 2dm1 s TRP 45 N -1.26 1.81 -0.24 -1.98 0.51 -1.21 -4.63 118.94 111.93 2dm1 s TRP 45 Ca -0.14 -1.23 -0.01 0.00 -2.12 0.00 0.00 56.10 52.61 2dm1 s TRP 45 Cb -0.09 -1.22 0.07 0.00 -0.81 0.00 0.00 33.47 31.42 2dm1 s TRP 45 CO -0.01 -0.21 0.02 0.21 -0.51 0.00 0.00 176.95 176.45 2dm1 s LYS 46 N -3.74 0.99 0.00 4.98 2.20 -1.01 -3.16 119.74 120.01 2dm1 s LYS 46 Ca 0.22 -0.79 0.00 0.00 -0.36 0.00 0.00 55.97 55.04 2dm1 s LYS 46 Cb 0.03 -2.26 0.00 0.00 -1.51 0.00 0.00 37.83 34.08 2dm1 s LYS 46 CO 0.13 -0.71 0.00 0.41 -0.36 0.00 0.00 175.35 174.82 2dm1 n GLY 47 N 4.86 5.31 3.63 5.54 0.00 -1.25 -0.91 105.19 122.37 2dm1 n GLY 47 Ca -0.08 -1.44 -0.08 0.00 0.00 0.00 0.00 46.02 44.42 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 0.42 -0.25 1.61 2.12 -1.22 -3.97 118.70 121.73 2dm1 s GLU 48 Ca 0.00 0.41 -0.17 0.00 0.36 0.00 0.00 54.97 55.57 2dm1 s GLU 48 Cb 0.00 0.20 0.07 0.00 0.26 0.00 0.00 34.13 34.67 2dm1 s GLU 48 CO 0.00 -0.07 0.63 -0.08 -0.54 0.00 0.00 175.26 175.20 2dm1 s THR 49 N -0.06 -0.00 -1.42 -1.70 -1.32 -0.69 -2.54 115.64 107.90 2dm1 s THR 49 Ca 0.03 0.01 -0.06 0.00 -1.21 0.00 0.00 61.69 60.46 2dm1 s THR 49 Cb -0.04 -0.91 0.01 0.00 -1.51 0.00 0.00 72.50 70.05 2dm1 s THR 49 CO -0.07 0.01 0.85 0.59 -2.21 0.00 0.00 174.62 173.78 2dm1 n ASN 50 N 3.82 -6.13 -2.43 8.08 3.02 -1.26 -2.14 115.26 118.23 2dm1 n ASN 50 Ca -0.19 -0.39 -0.16 0.00 -0.03 0.00 0.00 54.58 53.81 2dm1 n ASN 50 Cb 0.57 -4.85 0.04 0.00 -0.61 0.00 0.00 39.78 34.93 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 -1.72 -0.15 2.86 7.41 0.00 -1.26 -5.02 105.19 107.31 2dm1 n GLY 51 Ca -0.06 -0.08 -0.21 0.00 0.00 0.00 0.00 46.02 45.67 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 -5.61 0.79 -0.07 1.61 1.81 -0.91 -5.14 118.95 111.44 2dm1 s ARG 52 Ca 0.30 -0.05 0.04 0.00 -1.72 0.00 0.00 55.73 54.30 2dm1 s ARG 52 Cb -0.13 -0.91 -0.02 0.00 -0.45 0.00 0.00 34.95 33.44 2dm1 s ARG 52 CO 0.38 -0.16 -0.18 0.42 -0.68 0.00 0.00 175.30 175.08 2dm1 s ILE 53 N 1.26 2.73 0.00 1.52 1.09 -1.26 -1.71 121.20 124.83 2dm1 s ILE 53 Ca -0.06 -0.82 0.00 0.00 -1.10 0.00 0.00 60.65 58.67 2dm1 s ILE 53 Cb -0.14 -2.06 0.00 0.00 -1.06 0.00 0.00 42.46 39.20 2dm1 s ILE 53 CO -0.02 0.57 0.00 0.61 -0.10 0.00 0.00 174.94 176.00 2dm1 n GLY 54 N 2.75 -1.02 3.71 6.18 0.00 -1.25 -4.89 105.19 110.67 2dm1 n GLY 54 Ca -0.17 -1.15 -0.40 0.00 0.00 0.00 0.00 46.02 44.30 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 -2.00 3.57 0.07 1.61 0.52 -0.36 -3.85 118.94 118.50 2dm1 s TRP 55 Ca 0.00 1.29 0.03 0.00 0.02 0.00 0.00 56.10 57.45 2dm1 s TRP 55 Cb 0.00 -2.85 -0.03 0.00 -1.15 0.00 0.00 33.47 29.44 2dm1 s TRP 55 CO 0.00 0.05 -0.10 -0.59 0.02 0.00 0.00 176.95 176.33 2dm1 s PHE 56 N 0.92 0.92 -0.05 -1.98 -0.12 -1.19 0.17 117.98 116.65 2dm1 s PHE 56 Ca 0.39 -0.54 -0.30 0.00 -0.05 0.00 0.00 56.93 56.43 2dm1 s PHE 56 Cb -0.18 -0.53 -0.05 0.00 -0.63 0.00 0.00 43.02 41.63 2dm1 s PHE 56 CO 0.19 -0.03 1.49 -1.25 -0.05 0.00 0.00 175.22 175.57 2dm1 s PRO 57 N -2.01 4.23 0.00 1.99 0.04 -1.26 -3.34 135.00 134.65 2dm1 s PRO 57 Ca -0.03 2.01 0.25 0.00 0.04 0.00 0.00 61.00 63.27 2dm1 s PRO 57 Cb -0.08 -3.77 1.35 0.00 0.04 0.00 0.00 34.50 32.04 2dm1 s PRO 57 CO 0.01 -0.72 1.85 -1.13 0.04 0.00 0.00 177.00 177.05 2dm1 n SER 58 N 6.32 0.00 -0.18 6.66 3.41 -1.24 -2.55 113.62 126.03 2dm1 n SER 58 Ca 0.15 -0.34 0.13 0.00 -0.26 0.00 0.00 58.87 58.55 2dm1 n SER 58 Cb 0.43 -0.18 0.31 0.00 -0.26 0.00 0.00 64.21 64.52 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 -1.18 0.00 0.78 6.66 -2.24 -1.26 -3.73 114.28 113.31 2dm1 n THR 59 Ca 0.14 -0.10 0.08 0.00 -2.27 0.00 0.00 64.05 61.91 2dm1 n THR 59 Cb 0.16 0.41 -0.04 0.00 -2.10 0.00 0.00 70.33 68.76 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 -0.87 0.00 -4.45 4.78 4.02 -1.06 -4.99 117.16 114.59 2dm1 n TYR 60 Ca 0.10 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.72 2dm1 n TYR 60 Cb 0.35 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.57 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 -2.25 2.15 -0.13 -0.72 -7.23 -1.24 -0.69 120.40 110.28 2dm1 s VAL 61 Ca 0.11 -1.92 0.01 0.00 -1.81 0.00 0.00 61.98 58.37 2dm1 s VAL 61 Cb 0.13 -2.96 0.02 0.00 0.56 0.00 0.00 36.38 34.13 2dm1 s VAL 61 CO 0.54 -0.03 -0.16 -0.70 -0.31 0.00 0.00 175.10 174.45 2dm1 s GLU 62 N -3.76 2.36 -0.64 4.82 2.56 0.12 -4.82 118.70 119.35 2dm1 s GLU 62 Ca 0.37 -0.60 -0.26 0.00 0.00 0.00 0.00 54.97 54.47 2dm1 s GLU 62 Cb 0.07 -2.04 -0.03 0.00 2.00 0.00 0.00 34.13 34.14 2dm1 s GLU 62 CO 0.19 -0.11 1.89 -1.21 -0.56 0.00 0.00 175.26 175.46 2dm1 s GLU 63 N 1.12 2.60 0.10 4.30 2.02 -1.26 -1.24 118.70 126.34 2dm1 s GLU 63 Ca -0.03 0.55 -0.03 0.00 0.02 0.00 0.00 54.97 55.47 2dm1 s GLU 63 Cb -0.14 -4.46 -0.05 0.00 0.10 0.00 0.00 34.13 29.57 2dm1 s GLU 63 CO -0.05 -2.82 0.31 -1.83 0.02 0.00 0.00 175.26 170.89 2dm1 s GLU 64 N 7.09 3.56 0.00 1.61 -1.05 -0.87 -5.00 118.70 124.04 2dm1 s GLU 64 Ca 0.69 -0.20 0.00 0.00 -0.15 0.00 0.00 54.97 55.30 2dm1 s GLU 64 Cb -0.12 -2.93 0.00 0.00 -0.44 0.00 0.00 34.13 30.64 2dm1 s GLU 64 CO 0.19 0.53 0.00 0.41 0.95 0.00 0.00 175.26 177.34 2dm1 n GLY 65 N 0.24 0.09 3.67 -3.83 0.00 -1.26 -4.21 105.19 99.88 2dm1 n GLY 65 Ca -0.04 0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 2dm1 n GLY 65 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2dm1 s ILE 66 N 0.00 5.21 -0.03 -0.61 1.10 -1.26 -5.07 121.20 120.54 2dm1 s ILE 66 Ca 0.00 0.68 0.06 0.00 -0.51 0.00 0.00 60.65 60.88 2dm1 s ILE 66 Cb 0.00 -3.72 -0.01 0.00 0.15 0.00 0.00 42.46 38.88 2dm1 s ILE 66 CO 0.00 0.26 -0.21 -1.10 -2.11 0.00 0.00 174.94 171.78 2dm1 s GLN 67 N 1.30 1.85 -0.27 3.50 -0.21 -1.26 -5.12 119.66 119.45 2dm1 s GLN 67 Ca 0.18 -0.75 -0.12 0.00 0.02 0.00 0.00 55.36 54.70 2dm1 s GLN 67 Cb -0.15 -1.71 -0.05 0.00 1.00 0.00 0.00 33.01 32.11 2dm1 s GLN 67 CO 0.08 0.40 0.24 -1.12 -2.12 0.00 0.00 175.29 172.76 2dm1 s SER 68 N -0.33 6.10 0.26 5.90 0.01 -1.26 -5.08 113.70 119.30 2dm1 s SER 68 Ca 0.04 0.09 -0.18 0.00 1.31 0.00 0.00 55.95 57.21 2dm1 s SER 68 Cb -0.10 -2.14 -0.09 0.00 0.21 0.00 0.00 66.02 63.90 2dm1 s SER 68 CO 0.00 -0.07 0.73 -0.83 0.41 0.00 0.00 173.24 173.48 2dm1 s GLY 69 N 1.63 2.50 -0.36 3.44 0.00 -1.26 -5.00 107.32 108.27 2dm1 s GLY 69 Ca 0.09 0.11 -0.28 0.00 0.00 0.00 0.00 44.72 44.64 2dm1 s GLY 69 CO 0.10 0.41 1.71 2.56 0.00 0.00 0.00 173.10 177.88 2dm1 s PRO 70 N -2.38 3.37 0.29 2.90 0.04 -1.26 -5.00 135.00 132.96 2dm1 s PRO 70 Ca 0.47 1.28 -0.05 0.00 0.04 0.00 0.00 61.00 62.75 2dm1 s PRO 70 Cb -0.14 -4.16 -0.05 0.00 0.04 0.00 0.00 34.50 30.18 2dm1 s PRO 70 CO 0.19 -1.82 0.56 0.45 0.04 0.00 0.00 177.00 176.43 2dm1 s SER 71 N 5.66 6.45 -0.07 6.66 0.15 -1.26 -5.10 113.70 126.19 2dm1 s SER 71 Ca 0.75 0.73 0.05 0.00 0.70 0.00 0.00 55.95 58.18 2dm1 s SER 71 Cb -0.20 -2.15 -0.01 0.00 -1.71 0.00 0.00 66.02 61.94 2dm1 s SER 71 CO 0.33 -0.21 -0.21 -0.44 1.20 0.00 0.00 173.24 173.91 2dm1 s SER 72 N -3.17 3.38 0.00 5.45 0.01 -1.26 -5.34 113.70 112.78 2dm1 s SER 72 Ca 0.44 -0.43 0.00 0.00 1.31 0.00 0.00 55.95 57.27 2dm1 s SER 72 Cb -0.11 -0.99 0.00 0.00 0.21 0.00 0.00 66.02 65.13 2dm1 s SER 72 CO 0.30 0.24 0.31 0.61 0.41 0.00 0.00 173.24 175.12