#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdl s HIS 3 N 0.00 3.66 -0.25 0.00 0.09 -1.26 -5.04 115.29 112.49 2wdl s HIS 3 Ca 0.00 0.73 0.03 0.00 -0.00 0.00 0.00 55.06 55.82 2wdl s HIS 3 Cb 0.00 -2.09 -0.17 0.00 -0.00 0.00 0.00 32.58 30.32 2wdl s HIS 3 CO 0.00 0.70 -0.21 1.17 -0.00 0.00 0.00 174.74 176.40 2wdl n LYS 4 N 1.91 0.64 -0.67 1.40 4.81 -1.26 -5.12 118.16 119.86 2wdl n LYS 4 Ca -0.17 0.14 0.00 0.00 -0.87 0.00 0.00 58.31 57.40 2wdl n LYS 4 Cb 0.54 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.08 2wdl n LYS 4 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2wdl n LYS 5 N -3.21 -1.35 -0.72 1.64 4.76 -1.26 -5.00 118.16 113.02 2wdl n LYS 5 Ca -0.44 1.14 -0.29 0.00 -2.87 0.00 0.00 58.31 55.86 2wdl n LYS 5 Cb 0.98 -1.05 0.22 0.00 -1.84 0.00 0.00 35.03 33.34 2wdl n LYS 5 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2wdl s GLY 6 N -0.71 1.57 0.00 0.72 0.00 -1.26 -5.03 107.32 102.61 2wdl s GLY 6 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 44.72 44.65 2wdl s GLY 6 CO 0.00 0.58 0.00 1.04 0.00 0.00 0.00 173.10 174.72 2wdl n LEU 7 N -4.64 0.00 0.00 0.66 4.77 -1.26 -5.19 117.00 111.34 2wdl n LEU 7 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 2wdl n LEU 7 Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 2wdl n LEU 7 CO 0.56 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 2wdl n GLY 8 N 0.00 -2.41 0.00 -0.72 0.00 -1.26 -5.14 105.19 95.67 2wdl n GLY 8 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.92 2wdl n GLY 8 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wdl n SER 9 N -0.56 0.00 -0.51 1.61 3.41 -1.26 -5.17 113.62 111.14 2wdl n SER 9 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.63 2wdl n SER 9 Cb 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 2wdl n SER 9 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2wdl n THR 10 N 0.00 -0.73 -1.30 6.66 -1.04 -1.26 -4.95 114.28 111.66 2wdl n THR 10 Ca 0.00 0.43 0.00 0.00 -2.04 0.00 0.00 64.05 62.44 2wdl n THR 10 Cb 0.00 -0.69 0.00 0.00 -1.82 0.00 0.00 70.33 67.82 2wdl n THR 10 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2wdl n ARG 11 N -2.23 0.00 0.00 -2.82 1.74 -1.26 -5.08 116.66 107.01 2wdl n ARG 11 Ca -0.01 -0.16 0.00 0.00 -0.77 0.00 0.00 57.85 56.90 2wdl n ARG 11 Cb 0.19 -0.35 0.00 0.00 -1.02 0.00 0.00 32.46 31.28 2wdl n ARG 11 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2wdl n ASN 12 N 0.00 0.00 -3.70 0.55 3.02 -1.26 -4.90 115.26 108.97 2wdl n ASN 12 Ca 0.00 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.32 2wdl n ASN 12 Cb 0.37 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.54 2wdl n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wdl n GLY 13 N 5.00 -1.17 3.38 7.41 0.00 -1.26 -4.96 105.19 113.59 2wdl n GLY 13 Ca 0.00 0.54 -0.14 0.00 0.00 0.00 0.00 46.02 46.42 2wdl n GLY 13 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wdl s ARG 14 N -4.81 0.70 -0.30 1.61 3.52 -1.26 -5.17 118.95 113.25 2wdl s ARG 14 Ca 0.02 0.39 -0.17 0.00 -0.13 0.00 0.00 55.73 55.84 2wdl s ARG 14 Cb -0.01 0.33 0.19 0.00 -1.56 0.00 0.00 34.95 33.90 2wdl s ARG 14 CO 0.82 -0.15 1.20 0.34 -0.81 0.00 0.00 175.30 176.69 2wdl s ASP 15 N -0.42 -0.18 0.43 -2.12 2.15 -1.26 -5.14 116.67 110.13 2wdl s ASP 15 Ca -0.06 0.27 -0.25 0.00 0.43 0.00 0.00 52.55 52.95 2wdl s ASP 15 Cb -0.03 1.12 -0.10 0.00 -0.30 0.00 0.00 42.92 43.61 2wdl s ASP 15 CO 0.03 -0.04 1.10 -1.54 -0.17 0.00 0.00 175.17 174.55 2wdl n SER 16 N 3.69 1.70 -4.72 -0.34 3.41 -1.26 -4.89 113.62 111.20 2wdl n SER 16 Ca -0.14 1.05 -0.42 0.00 -0.26 0.00 0.00 58.87 59.10 2wdl n SER 16 Cb 0.56 -1.41 -0.03 0.00 -0.26 0.00 0.00 64.21 63.07 2wdl n SER 16 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wdl s GLN 17 N -2.11 4.38 0.24 4.33 -2.07 -1.26 -4.93 119.66 118.24 2wdl s GLN 17 Ca 0.63 1.96 -0.27 0.00 -1.82 0.00 0.00 55.36 55.85 2wdl s GLN 17 Cb -0.54 -3.27 -0.16 0.00 -1.09 0.00 0.00 33.01 27.95 2wdl s GLN 17 CO 0.57 -0.33 0.60 0.00 -1.32 0.00 0.00 175.29 174.80 2wdl n ALA 18 N 3.67 -2.30 -0.99 2.60 0.00 -1.26 -4.89 120.51 117.34 2wdl n ALA 18 Ca 0.09 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.94 2wdl n ALA 18 Cb 0.44 -1.69 0.35 0.00 0.00 0.00 0.00 19.45 18.55 2wdl n ALA 18 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wdl n LYS 19 N 0.95 4.23 -3.35 0.00 4.76 -1.26 -4.98 118.16 118.50 2wdl n LYS 19 Ca 0.16 -3.13 -0.18 0.00 -2.87 0.00 0.00 58.31 52.29 2wdl n LYS 19 Cb 0.28 -2.23 0.00 0.00 -1.84 0.00 0.00 35.03 31.24 2wdl n LYS 19 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2wdl n ARG 20 N 0.17 -1.07 -3.64 1.97 5.12 -1.26 -4.92 116.66 113.03 2wdl n ARG 20 Ca 0.35 0.53 -0.22 0.00 -1.93 0.00 0.00 57.85 56.58 2wdl n ARG 20 Cb 1.29 -1.49 -0.01 0.00 -1.16 0.00 0.00 32.46 31.09 2wdl n ARG 20 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2wdl s LEU 21 N -3.89 4.13 0.00 0.55 1.43 -1.26 -4.97 118.68 114.67 2wdl s LEU 21 Ca 0.02 0.20 0.00 0.00 -1.03 0.00 0.00 54.13 53.31 2wdl s LEU 21 Cb -0.00 -3.03 0.00 0.00 0.03 0.00 0.00 46.19 43.18 2wdl s LEU 21 CO 0.61 -0.23 0.00 0.61 0.23 0.00 0.00 176.35 177.57 2wdl n GLY 22 N -1.61 0.76 3.63 -3.19 0.00 -0.72 -4.97 105.19 99.08 2wdl n GLY 22 Ca -0.06 -1.86 -0.42 0.00 0.00 0.00 0.00 46.02 43.68 2wdl n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdl s VAL 23 N -1.86 4.81 -1.95 1.61 1.01 -1.26 0.57 120.40 123.33 2wdl s VAL 23 Ca 0.00 1.34 0.26 0.00 0.00 0.00 0.00 61.98 63.58 2wdl s VAL 23 Cb 0.00 -4.13 0.27 0.00 0.00 0.00 0.00 36.38 32.52 2wdl s VAL 23 CO 0.00 -0.18 1.51 0.29 0.00 0.00 0.00 175.10 176.72 2wdl n LYS 24 N 6.13 1.07 -3.77 2.72 4.76 0.29 -4.85 118.16 124.50 2wdl n LYS 24 Ca 0.04 -0.69 -0.13 0.00 -2.87 0.00 0.00 58.31 54.67 2wdl n LYS 24 Cb 0.48 -1.49 -0.11 0.00 -1.84 0.00 0.00 35.03 32.07 2wdl n LYS 24 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2wdl s ARG 25 N -2.41 0.37 0.25 1.97 1.81 -1.07 -4.93 118.95 114.94 2wdl s ARG 25 Ca 0.26 0.37 0.09 0.00 -1.72 0.00 0.00 55.73 54.73 2wdl s ARG 25 Cb 0.19 0.18 -0.04 0.00 -0.45 0.00 0.00 34.95 34.83 2wdl s ARG 25 CO 0.49 -0.05 -0.02 0.71 -0.68 0.00 0.00 175.30 175.76 2wdl s TYR 26 N 0.05 2.69 -0.23 -0.53 1.51 -1.26 -4.92 117.35 114.66 2wdl s TYR 26 Ca -0.01 -0.22 -0.38 0.00 -1.01 0.00 0.00 57.07 55.45 2wdl s TYR 26 Cb -0.02 -1.21 -0.14 0.00 -0.11 0.00 0.00 41.96 40.47 2wdl s TYR 26 CO 0.01 0.60 1.80 -1.91 -1.11 0.00 0.00 175.55 174.94 2wdl n GLU 27 N -0.73 1.45 0.00 -0.62 2.13 -1.25 -1.22 120.64 120.40 2wdl n GLU 27 Ca -0.07 0.53 0.00 0.00 0.66 0.00 0.00 57.16 58.28 2wdl n GLU 27 Cb 0.58 -2.27 0.00 0.00 0.27 0.00 0.00 31.44 30.02 2wdl n GLU 27 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2wdl n GLY 28 N 4.32 1.38 3.77 8.31 0.00 0.21 -4.98 105.19 118.20 2wdl n GLY 28 Ca 0.26 -0.30 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 2wdl n GLY 28 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wdl s GLN 29 N 0.00 4.34 -0.10 1.61 -0.21 -0.36 -4.73 119.66 120.22 2wdl s GLN 29 Ca 0.00 1.69 -0.26 0.00 0.02 0.00 0.00 55.36 56.80 2wdl s GLN 29 Cb 0.00 -2.83 -0.02 0.00 1.00 0.00 0.00 33.01 31.15 2wdl s GLN 29 CO 0.00 -0.02 0.85 0.08 -2.12 0.00 0.00 175.29 174.08 2wdl s VAL 30 N -1.41 4.91 0.21 1.09 1.01 -1.26 -2.34 120.40 122.61 2wdl s VAL 30 Ca 0.52 1.72 0.10 0.00 0.00 0.00 0.00 61.98 64.32 2wdl s VAL 30 Cb -0.28 -4.17 -0.05 0.00 0.00 0.00 0.00 36.38 31.89 2wdl s VAL 30 CO 0.35 0.11 -0.19 0.68 0.00 0.00 0.00 175.10 176.05 2wdl s VAL 31 N 1.53 2.09 0.25 2.92 -7.23 -0.89 -5.01 120.40 114.06 2wdl s VAL 31 Ca 0.42 -2.13 0.07 0.00 -1.81 0.00 0.00 61.98 58.53 2wdl s VAL 31 Cb -0.18 -2.06 -0.04 0.00 0.56 0.00 0.00 36.38 34.66 2wdl s VAL 31 CO 0.18 -0.36 0.16 -0.13 -0.31 0.00 0.00 175.10 174.65 2wdl s ARG 32 N -3.14 2.83 0.09 4.82 0.52 -1.26 -1.70 118.95 121.11 2wdl s ARG 32 Ca 0.22 -1.10 -0.33 0.00 -0.52 0.00 0.00 55.73 54.01 2wdl s ARG 32 Cb -0.05 -2.51 -0.12 0.00 0.52 0.00 0.00 34.95 32.79 2wdl s ARG 32 CO 0.10 0.40 1.78 0.00 0.02 0.00 0.00 175.30 177.59 2wdl n ALA 33 N -1.10 1.72 0.00 2.13 0.00 -1.26 -1.71 120.51 120.29 2wdl n ALA 33 Ca -0.08 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.71 2wdl n ALA 33 Cb 0.58 -2.51 0.00 0.00 0.00 0.00 0.00 19.45 17.52 2wdl n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdl n GLY 34 N 4.05 3.34 3.57 0.00 0.00 -1.04 -4.96 105.19 110.15 2wdl n GLY 34 Ca 0.19 -1.05 -0.61 0.00 0.00 0.00 0.00 46.02 44.55 2wdl n GLY 34 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wdl n ASN 35 N 0.01 0.42 -4.78 1.61 3.02 -0.70 -4.45 115.26 110.40 2wdl n ASN 35 Ca 0.00 1.16 -0.39 0.00 -0.03 0.00 0.00 54.58 55.33 2wdl n ASN 35 Cb 0.00 -0.93 -0.06 0.00 -0.61 0.00 0.00 39.78 38.18 2wdl n ASN 35 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2wdl s ILE 36 N 0.86 4.35 -0.21 2.41 -5.25 -1.26 0.51 121.20 122.61 2wdl s ILE 36 Ca 0.94 1.69 0.07 0.00 -0.99 0.00 0.00 60.65 62.36 2wdl s ILE 36 Cb -1.31 -4.10 -0.17 0.00 2.95 0.00 0.00 42.46 39.82 2wdl s ILE 36 CO 0.63 0.43 -0.11 0.18 -1.79 0.00 0.00 174.94 174.29 2wdl n LEU 37 N 1.34 1.94 -3.76 0.37 4.77 0.26 -4.51 117.00 117.41 2wdl n LEU 37 Ca -0.04 -0.08 -0.13 0.00 -0.03 0.00 0.00 56.01 55.74 2wdl n LEU 37 Cb 0.49 -0.36 -0.12 0.00 -2.33 0.00 0.00 43.42 41.09 2wdl n LEU 37 CO 0.46 0.72 -0.12 -0.69 -1.33 0.00 0.00 177.39 176.44 2wdl s VAL 38 N -2.44 -0.02 -0.81 4.08 1.01 -0.73 0.10 120.40 121.59 2wdl s VAL 38 Ca -0.23 0.07 -0.07 0.00 0.00 0.00 0.00 61.98 61.75 2wdl s VAL 38 Cb 0.07 -0.35 0.21 0.00 0.00 0.00 0.00 36.38 36.31 2wdl s VAL 38 CO 0.59 0.03 0.71 -0.13 0.00 0.00 0.00 175.10 176.29 2wdl s ARG 39 N 0.65 3.27 0.02 2.72 1.81 0.19 -1.82 118.95 125.79 2wdl s ARG 39 Ca -0.04 -2.75 -0.01 0.00 -1.72 0.00 0.00 55.73 51.21 2wdl s ARG 39 Cb -0.06 -4.12 -0.04 0.00 -0.45 0.00 0.00 34.95 30.28 2wdl s ARG 39 CO -0.04 -1.24 0.14 1.14 -0.68 0.00 0.00 175.30 174.62 2wdl s GLN 40 N -0.40 3.25 0.04 3.54 -2.07 -1.26 -1.76 119.66 121.00 2wdl s GLN 40 Ca 0.21 -0.44 -0.29 0.00 -1.82 0.00 0.00 55.36 53.02 2wdl s GLN 40 Cb -0.13 -2.97 -0.16 0.00 -1.09 0.00 0.00 33.01 28.66 2wdl s GLN 40 CO -0.08 0.64 1.32 0.00 -1.32 0.00 0.00 175.29 175.86 2wdl h ARG 41 N 3.70 -1.02 0.00 9.60 -0.00 -1.92 -3.42 114.38 121.33 2wdl h ARG 41 Ca -0.48 0.07 0.00 0.00 -0.50 0.00 0.00 59.98 59.07 2wdl h ARG 41 Cb 1.18 0.23 0.00 0.00 0.00 0.00 0.00 29.97 31.38 2wdl h ARG 41 CO 0.68 -0.68 0.00 0.41 0.00 0.00 0.00 179.97 180.38 2wdl n GLY 42 N -1.19 2.97 2.78 0.04 0.00 -1.26 -4.89 105.19 103.65 2wdl n GLY 42 Ca -0.13 -0.91 -0.36 0.00 0.00 0.00 0.00 46.02 44.62 2wdl n GLY 42 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2wdl n THR 43 N 0.00 3.55 0.08 2.61 5.66 -1.26 -4.75 114.28 120.17 2wdl n THR 43 Ca 0.00 -4.69 0.05 0.00 -3.05 0.00 0.00 64.05 56.36 2wdl n THR 43 Cb 0.00 -1.29 0.29 0.00 -1.55 0.00 0.00 70.33 67.78 2wdl n THR 43 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2wdl n ARG 44 N -0.46 0.07 -3.48 1.09 1.74 -1.26 -4.08 116.66 110.27 2wdl n ARG 44 Ca 0.49 0.55 -0.14 0.00 -0.77 0.00 0.00 57.85 57.98 2wdl n ARG 44 Cb 0.34 -1.76 -0.11 0.00 -1.02 0.00 0.00 32.46 29.92 2wdl n ARG 44 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2wdl s PHE 45 N -3.24 -0.53 0.42 -1.55 0.40 -1.26 -4.68 117.98 107.54 2wdl s PHE 45 Ca -0.01 0.65 -0.24 0.00 -0.60 0.00 0.00 56.93 56.73 2wdl s PHE 45 Cb 0.03 -0.13 -0.08 0.00 0.51 0.00 0.00 43.02 43.35 2wdl s PHE 45 CO 0.10 -0.59 1.13 0.15 0.70 0.00 0.00 175.22 176.71 2wdl s LYS 46 N 2.44 4.00 0.28 0.44 1.02 0.34 -4.88 119.74 123.39 2wdl s LYS 46 Ca 0.07 1.73 -0.29 0.00 0.02 0.00 0.00 55.97 57.50 2wdl s LYS 46 Cb -0.15 -2.56 -0.10 0.00 -0.52 0.00 0.00 37.83 34.50 2wdl s LYS 46 CO -0.13 -0.34 1.15 -1.25 -0.92 0.00 0.00 175.35 173.86 2wdl s PRO 47 N -2.46 4.58 0.00 -1.68 0.04 -1.26 -2.49 135.00 131.73 2wdl s PRO 47 Ca 0.59 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.51 2wdl s PRO 47 Cb -0.28 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.09 2wdl s PRO 47 CO 0.34 0.11 0.00 0.41 0.04 0.00 0.00 177.00 177.90 2wdl n GLY 48 N 1.24 3.98 3.48 0.56 0.00 0.88 -4.78 105.19 110.55 2wdl n GLY 48 Ca -0.00 -1.83 -0.49 0.00 0.00 0.00 0.00 46.02 43.70 2wdl n GLY 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wdl n LYS 49 N 0.00 1.31 -3.25 1.61 5.02 -1.26 -1.58 118.16 120.01 2wdl n LYS 49 Ca 0.00 0.35 -0.16 0.00 -2.02 0.00 0.00 58.31 56.48 2wdl n LYS 49 Cb 0.00 -2.67 0.06 0.00 -0.02 0.00 0.00 35.03 32.40 2wdl n LYS 49 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2wdl n ASN 50 N 10.35 -4.76 -3.72 4.39 3.02 -1.26 0.04 115.26 123.33 2wdl n ASN 50 Ca 0.38 -0.39 -0.21 0.00 -0.03 0.00 0.00 54.58 54.34 2wdl n ASN 50 Cb 0.29 -3.74 -0.18 0.00 -0.61 0.00 0.00 39.78 35.54 2wdl n ASN 50 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2wdl s VAL 51 N -3.23 0.07 0.01 2.41 1.01 -0.62 -1.73 120.40 118.33 2wdl s VAL 51 Ca 0.37 0.30 0.03 0.00 0.00 0.00 0.00 61.98 62.67 2wdl s VAL 51 Cb -0.16 -0.28 -0.04 0.00 0.00 0.00 0.00 36.38 35.90 2wdl s VAL 51 CO 0.52 0.20 -0.02 -0.83 0.00 0.00 0.00 175.10 174.97 2wdl s GLY 52 N 1.98 1.84 0.08 4.51 0.00 -0.55 -4.07 107.32 111.11 2wdl s GLY 52 Ca 0.03 -1.00 0.10 0.00 0.00 0.00 0.00 44.72 43.85 2wdl s GLY 52 CO -0.04 -0.88 -0.25 -3.16 0.00 0.00 0.00 173.10 168.77 2wdl s MET 53 N -1.61 1.68 0.00 2.90 0.23 -1.26 0.18 119.30 121.42 2wdl s MET 53 Ca 0.19 -1.19 0.00 0.00 -1.03 0.00 0.00 55.69 53.66 2wdl s MET 53 Cb -0.11 -1.98 0.00 0.00 -1.53 0.00 0.00 34.83 31.20 2wdl s MET 53 CO 0.10 0.49 0.00 0.41 -2.03 0.00 0.00 175.02 173.99 2wdl n GLY 54 N 1.36 2.65 0.39 3.16 0.00 0.22 -4.89 105.19 108.08 2wdl n GLY 54 Ca -0.17 -2.12 -0.03 0.00 0.00 0.00 0.00 46.02 43.71 2wdl n GLY 54 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2wdl h ARG 55 N 0.00 -0.02 -0.00 1.61 3.08 -2.01 0.15 114.38 117.20 2wdl h ARG 55 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wdl h ARG 55 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2wdl h ARG 55 CO 0.00 -0.01 -0.00 -0.40 -1.07 0.00 0.00 179.97 178.49 2wdl n ASP 56 N -5.44 0.05 0.00 7.04 3.85 -1.26 -4.86 116.55 115.94 2wdl n ASP 56 Ca 0.09 -0.95 0.00 0.00 -0.71 0.00 0.00 54.79 53.21 2wdl n ASP 56 Cb 0.38 -0.02 0.00 0.00 -1.35 0.00 0.00 41.12 40.13 2wdl n ASP 56 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.20 176.68 2wdl n PHE 57 N -0.98 0.00 -2.42 2.11 3.72 0.54 -4.73 117.46 115.69 2wdl n PHE 57 Ca 0.23 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.21 2wdl n PHE 57 Cb 0.13 -0.11 -0.03 0.00 -0.94 0.00 0.00 39.48 38.53 2wdl n PHE 57 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 2wdl s THR 58 N -2.00 4.18 -0.06 4.37 2.01 -1.25 -4.23 115.64 118.65 2wdl s THR 58 Ca 0.00 1.51 -0.14 0.00 0.31 0.00 0.00 61.69 63.36 2wdl s THR 58 Cb 0.00 -3.97 -0.05 0.00 0.01 0.00 0.00 72.50 68.49 2wdl s THR 58 CO 0.00 -0.01 0.37 -0.76 -0.69 0.00 0.00 174.62 173.52 2wdl s LEU 59 N 2.35 4.39 0.03 4.42 1.43 -0.75 -0.61 118.68 129.93 2wdl s LEU 59 Ca 0.57 0.79 -0.00 0.00 -1.03 0.00 0.00 54.13 54.46 2wdl s LEU 59 Cb -0.25 -2.51 -0.02 0.00 0.03 0.00 0.00 46.19 43.44 2wdl s LEU 59 CO 0.22 0.23 -0.03 0.72 0.23 0.00 0.00 176.35 177.73 2wdl s PHE 60 N -0.47 0.30 0.64 0.29 -0.12 0.13 0.93 117.98 119.68 2wdl s PHE 60 Ca 0.22 -0.62 -0.18 0.00 -0.05 0.00 0.00 56.93 56.29 2wdl s PHE 60 Cb -0.15 -0.22 -0.01 0.00 -0.63 0.00 0.00 43.02 42.00 2wdl s PHE 60 CO 0.10 -0.23 1.27 0.00 -0.05 0.00 0.00 175.22 176.31 2wdl n ALA 61 N 1.33 1.08 0.11 1.99 0.00 0.18 -1.48 120.51 123.72 2wdl n ALA 61 Ca -0.22 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.25 2wdl n ALA 61 Cb 0.56 -2.31 -0.04 0.00 0.00 0.00 0.00 19.45 17.66 2wdl n ALA 61 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wdl n LEU 62 N -1.77 0.11 -3.76 0.00 4.77 -0.71 -2.48 117.00 113.16 2wdl n LEU 62 Ca 0.16 -0.20 -0.11 0.00 -0.03 0.00 0.00 56.01 55.82 2wdl n LEU 62 Cb 0.48 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.50 2wdl n LEU 62 CO 0.47 0.03 0.02 0.68 -1.33 0.00 0.00 177.39 177.26 2wdl s VAL 63 N -2.08 0.09 -0.40 4.08 -7.23 -1.26 -4.77 120.40 108.83 2wdl s VAL 63 Ca -0.00 -0.72 -0.28 0.00 -1.81 0.00 0.00 61.98 59.16 2wdl s VAL 63 Cb 0.04 -0.98 -0.02 0.00 0.56 0.00 0.00 36.38 35.98 2wdl s VAL 63 CO 0.25 -0.40 1.85 -1.81 -0.31 0.00 0.00 175.10 174.68 2wdl s ASP 64 N -2.17 5.68 0.00 4.85 1.11 -1.26 -4.11 116.67 120.77 2wdl s ASP 64 Ca -0.04 1.09 0.00 0.00 0.18 0.00 0.00 52.55 53.79 2wdl s ASP 64 Cb -0.00 -2.53 0.00 0.00 1.07 0.00 0.00 42.92 41.46 2wdl s ASP 64 CO -0.05 -1.92 0.00 0.61 1.18 0.00 0.00 175.17 175.00 2wdl n GLY 65 N 5.52 4.10 3.07 0.21 0.00 -0.69 -3.98 105.19 113.41 2wdl n GLY 65 Ca 0.23 -0.31 -0.20 0.00 0.00 0.00 0.00 46.02 45.74 2wdl n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdl s VAL 66 N 0.34 0.89 -0.18 1.61 1.01 -0.77 -2.11 120.40 121.19 2wdl s VAL 66 Ca 0.00 -0.54 -0.27 0.00 0.00 0.00 0.00 61.98 61.18 2wdl s VAL 66 Cb 0.00 -0.75 -0.01 0.00 0.00 0.00 0.00 36.38 35.62 2wdl s VAL 66 CO 0.00 0.21 0.91 -0.69 0.00 0.00 0.00 175.10 175.52 2wdl s VAL 67 N -0.34 4.82 -0.14 2.92 1.01 -0.99 -1.62 120.40 126.06 2wdl s VAL 67 Ca 0.04 1.78 0.01 0.00 0.00 0.00 0.00 61.98 63.81 2wdl s VAL 67 Cb -0.05 -4.20 0.02 0.00 0.00 0.00 0.00 36.38 32.15 2wdl s VAL 67 CO -0.00 -0.03 -0.18 -1.83 0.00 0.00 0.00 175.10 173.06 2wdl s GLU 68 N 2.41 2.59 -0.18 2.72 -1.05 -0.76 0.63 118.70 125.06 2wdl s GLU 68 Ca 0.41 -0.68 -0.17 0.00 -0.15 0.00 0.00 54.97 54.38 2wdl s GLU 68 Cb -0.16 -2.22 -0.04 0.00 -0.44 0.00 0.00 34.13 31.27 2wdl s GLU 68 CO 0.12 -0.13 0.43 -0.06 0.95 0.00 0.00 175.26 176.57 2wdl s PHE 69 N 1.15 3.40 0.04 4.83 0.40 -1.26 -0.20 117.98 126.34 2wdl s PHE 69 Ca -0.01 0.70 0.08 0.00 -0.60 0.00 0.00 56.93 57.10 2wdl s PHE 69 Cb -0.14 -2.55 -0.03 0.00 0.51 0.00 0.00 43.02 40.81 2wdl s PHE 69 CO -0.07 0.02 -0.24 -1.14 0.70 0.00 0.00 175.22 174.50 2wdl s GLN 70 N 1.21 1.64 -0.09 0.44 -0.44 0.10 -4.99 119.66 117.52 2wdl s GLN 70 Ca 0.21 -1.00 -0.01 0.00 -2.50 0.00 0.00 55.36 52.07 2wdl s GLN 70 Cb -0.15 -1.75 -0.03 0.00 -1.64 0.00 0.00 33.01 29.44 2wdl s GLN 70 CO 0.08 0.46 -0.06 0.34 0.50 0.00 0.00 175.29 176.61 2wdl s ASP 71 N -1.11 4.69 -0.29 6.67 2.15 -1.26 0.30 116.67 127.82 2wdl s ASP 71 Ca 0.10 -0.05 0.07 0.00 0.43 0.00 0.00 52.55 53.10 2wdl s ASP 71 Cb -0.09 -1.36 0.45 0.00 -0.30 0.00 0.00 42.92 41.62 2wdl s ASP 71 CO 0.02 0.31 1.23 0.54 -0.17 0.00 0.00 175.17 177.10 2wdl n ARG 72 N 2.60 3.14 0.00 4.34 5.12 -0.44 -4.97 116.66 126.46 2wdl n ARG 72 Ca -0.18 -3.95 0.00 0.00 -1.93 0.00 0.00 57.85 51.80 2wdl n ARG 72 Cb 0.53 -2.14 0.00 0.00 -1.16 0.00 0.00 32.46 29.69 2wdl n ARG 72 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2wdl n GLY 73 N -0.81 1.26 2.72 -0.13 0.00 -1.26 -2.24 105.19 104.73 2wdl n GLY 73 Ca 0.40 -0.51 -0.16 0.00 0.00 0.00 0.00 46.02 45.74 2wdl n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdl n ARG 74 N 4.31 1.54 0.00 1.61 1.74 -1.26 -1.32 116.66 123.27 2wdl n ARG 74 Ca 0.00 -1.21 0.00 0.00 -0.77 0.00 0.00 57.85 55.87 2wdl n ARG 74 Cb 0.00 -2.33 0.00 0.00 -1.02 0.00 0.00 32.46 29.11 2wdl n ARG 74 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2wdl n LEU 75 N 4.43 0.00 0.00 0.55 0.00 -0.95 -5.16 117.00 115.87 2wdl n LEU 75 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.34 2wdl n LEU 75 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.52 2wdl n LEU 75 CO 0.65 0.14 0.00 0.61 0.00 0.00 0.00 177.39 178.79 2wdl n GLY 76 N 0.00 2.41 3.58 -3.96 0.00 -0.43 -4.89 105.19 101.90 2wdl n GLY 76 Ca 0.00 -1.97 -0.35 0.00 0.00 0.00 0.00 46.02 43.71 2wdl n GLY 76 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wdl s ARG 77 N -2.73 3.87 0.13 1.61 0.52 -1.26 -1.32 118.95 119.77 2wdl s ARG 77 Ca 0.00 -0.39 0.07 0.00 -0.52 0.00 0.00 55.73 54.89 2wdl s ARG 77 Cb 0.00 -3.21 -0.04 0.00 0.52 0.00 0.00 34.95 32.22 2wdl s ARG 77 CO 0.00 0.16 -0.07 0.71 0.02 0.00 0.00 175.30 176.13 2wdl s TYR 78 N 0.66 2.77 -0.14 -0.53 1.51 0.15 -0.50 117.35 121.27 2wdl s TYR 78 Ca 0.03 -0.15 0.02 0.00 -1.01 0.00 0.00 57.07 55.96 2wdl s TYR 78 Cb -0.13 -1.41 0.01 0.00 -0.11 0.00 0.00 41.96 40.32 2wdl s TYR 78 CO 0.02 0.47 -0.21 0.08 -1.11 0.00 0.00 175.55 174.80 2wdl s VAL 79 N -1.43 2.18 0.47 0.71 1.01 -1.04 0.03 120.40 122.34 2wdl s VAL 79 Ca 0.24 -0.94 0.04 0.00 0.00 0.00 0.00 61.98 61.31 2wdl s VAL 79 Cb -0.10 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 2wdl s VAL 79 CO 0.16 0.54 0.03 -1.00 0.00 0.00 0.00 175.10 174.83 2wdl s HIS 80 N 0.74 2.14 -0.34 5.22 3.76 0.72 -0.09 115.29 127.45 2wdl s HIS 80 Ca -0.08 -0.83 -0.01 0.00 -0.15 0.00 0.00 55.06 53.99 2wdl s HIS 80 Cb -0.16 -1.70 0.13 0.00 1.11 0.00 0.00 32.58 31.96 2wdl s HIS 80 CO -0.00 0.29 0.22 0.08 -0.85 0.00 0.00 174.74 174.47 2wdl s VAL 81 N -2.80 -0.01 -0.32 -0.90 1.01 0.11 -1.83 120.40 115.66 2wdl s VAL 81 Ca 0.19 -1.32 -0.29 0.00 0.00 0.00 0.00 61.98 60.57 2wdl s VAL 81 Cb 0.05 -1.02 0.02 0.00 0.00 0.00 0.00 36.38 35.43 2wdl s VAL 81 CO 0.10 -0.85 1.07 0.00 0.00 0.00 0.00 175.10 175.42 2wdl s ARG 82 N 1.44 4.06 0.41 2.72 1.70 -0.64 -4.65 118.95 124.00 2wdl s ARG 82 Ca 0.15 1.06 -0.26 0.00 -0.47 0.00 0.00 55.73 56.21 2wdl s ARG 82 Cb -0.20 -3.74 -0.10 0.00 -0.57 0.00 0.00 34.95 30.35 2wdl s ARG 82 CO -0.11 -0.90 1.40 -0.35 -1.08 0.00 0.00 175.30 174.26 2wdl n PRO 83 N 6.86 2.28 -1.62 3.89 -0.04 -1.26 -1.85 135.00 143.26 2wdl n PRO 83 Ca 0.12 0.81 -0.46 0.00 -0.04 0.00 0.00 63.50 63.93 2wdl n PRO 83 Cb 0.47 -2.55 -0.02 0.00 -0.04 0.00 0.00 33.50 31.35 2wdl n PRO 83 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2wdl n LEU 84 N 0.18 2.26 0.00 1.53 4.32 -1.26 -4.89 117.00 119.15 2wdl n LEU 84 Ca 0.04 1.16 0.09 0.00 -0.02 0.00 0.00 56.01 57.29 2wdl n LEU 84 Cb 0.40 -1.33 0.54 0.00 -1.62 0.00 0.00 43.42 41.41 2wdl n LEU 84 CO 0.61 -1.03 0.74 0.00 -1.22 0.00 0.00 177.39 176.49