#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dcl s GLU 3 N 0.00 4.28 -0.03 1.45 -1.05 -1.26 -5.02 118.70 117.07 2dcl s GLU 3 Ca 0.00 1.84 -0.03 0.00 -0.15 0.00 0.00 54.97 56.64 2dcl s GLU 3 Cb 0.00 -3.64 0.01 0.00 -0.44 0.00 0.00 34.13 30.06 2dcl s GLU 3 CO 0.00 -0.59 0.09 0.14 0.95 0.00 0.00 175.26 175.85 2dcl s VAL 4 N 2.70 -0.01 0.09 1.83 -7.23 -1.26 -4.83 120.40 111.68 2dcl s VAL 4 Ca 0.61 0.04 -0.25 0.00 -1.81 0.00 0.00 61.98 60.57 2dcl s VAL 4 Cb -0.28 -0.14 -0.16 0.00 0.56 0.00 0.00 36.38 36.37 2dcl s VAL 4 CO 0.23 0.02 1.72 -0.33 -0.31 0.00 0.00 175.10 176.43 2dcl h GLU 5 N 6.29 -0.14 -2.98 4.82 4.39 -1.50 -3.46 114.58 122.01 2dcl h GLU 5 Ca -0.29 0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.36 2dcl h GLU 5 Cb 1.19 0.03 -0.16 0.00 -0.10 0.00 0.00 28.75 29.71 2dcl h GLU 5 CO 0.45 -0.09 -0.04 -1.01 -1.16 0.00 0.00 179.01 177.17 2dcl s HIS 6 N -6.17 -0.33 -1.06 4.33 3.76 -1.25 -5.04 115.29 109.53 2dcl s HIS 6 Ca -0.14 0.27 0.09 0.00 -0.15 0.00 0.00 55.06 55.14 2dcl s HIS 6 Cb 0.06 0.28 0.09 0.00 1.11 0.00 0.00 32.58 34.12 2dcl s HIS 6 CO 0.65 -0.63 0.84 -2.67 -0.85 0.00 0.00 174.74 172.09 2dcl n TRP 7 N 0.33 0.05 -2.03 1.40 4.27 -1.26 -3.75 117.44 116.45 2dcl n TRP 7 Ca -0.18 -0.07 -0.22 0.00 -3.89 0.00 0.00 57.50 53.15 2dcl n TRP 7 Cb 0.61 -0.00 0.03 0.00 -1.36 0.00 0.00 31.31 30.58 2dcl n TRP 7 CO 0.00 0.00 0.00 -1.71 -2.29 0.00 0.00 177.69 173.69 2dcl n ASN 8 N 0.48 4.64 -4.84 -0.67 5.15 -1.26 -4.93 115.26 113.82 2dcl n ASN 8 Ca 0.06 -3.69 -0.33 0.00 -0.60 0.00 0.00 54.58 50.02 2dcl n ASN 8 Cb 0.24 -0.35 -0.06 0.00 -0.53 0.00 0.00 39.78 39.08 2dcl n ASN 8 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2dcl s THR 9 N -4.49 4.62 0.04 -0.44 2.01 -1.25 -2.90 115.64 113.23 2dcl s THR 9 Ca 0.49 1.07 0.05 0.00 0.31 0.00 0.00 61.69 63.62 2dcl s THR 9 Cb 0.40 -3.63 -0.02 0.00 0.01 0.00 0.00 72.50 69.26 2dcl s THR 9 CO 0.03 -0.17 -0.16 -0.76 -0.69 0.00 0.00 174.62 172.87 2dcl s LEU 10 N -2.92 2.17 -0.34 4.42 1.43 0.40 -2.09 118.68 121.76 2dcl s LEU 10 Ca 0.55 -0.48 -0.11 0.00 -1.03 0.00 0.00 54.13 53.06 2dcl s LEU 10 Cb -0.11 -0.70 0.01 0.00 0.03 0.00 0.00 46.19 45.42 2dcl s LEU 10 CO 0.17 0.06 0.18 -0.60 0.23 0.00 0.00 176.35 176.40 2dcl s ARG 11 N -1.17 3.16 -0.17 1.70 3.52 0.10 -2.14 118.95 123.94 2dcl s ARG 11 Ca 0.03 -0.85 -0.08 0.00 -0.13 0.00 0.00 55.73 54.70 2dcl s ARG 11 Cb -0.08 -3.66 -0.04 0.00 -1.56 0.00 0.00 34.95 29.61 2dcl s ARG 11 CO 0.01 -0.53 0.10 -1.17 -0.81 0.00 0.00 175.30 172.90 2dcl s LEU 12 N 1.60 4.06 -0.10 -0.88 2.96 0.04 -2.58 118.68 123.79 2dcl s LEU 12 Ca 0.04 0.22 0.02 0.00 -0.22 0.00 0.00 54.13 54.18 2dcl s LEU 12 Cb -0.18 -2.02 0.02 0.00 0.50 0.00 0.00 46.19 44.50 2dcl s LEU 12 CO 0.07 0.24 -0.13 -0.13 -1.32 0.00 0.00 176.35 175.07 2dcl s ARG 13 N 0.00 1.97 -0.28 1.98 0.52 -0.16 -0.87 118.95 122.11 2dcl s ARG 13 Ca 0.08 -0.47 -0.04 0.00 -0.52 0.00 0.00 55.73 54.78 2dcl s ARG 13 Cb -0.12 -1.71 0.02 0.00 0.52 0.00 0.00 34.95 33.67 2dcl s ARG 13 CO 0.00 -0.07 0.00 0.42 0.02 0.00 0.00 175.30 175.68 2dcl s ILE 14 N 1.01 3.31 -0.28 1.52 1.01 0.33 -1.13 121.20 126.97 2dcl s ILE 14 Ca -0.07 -0.96 -0.09 0.00 0.00 0.00 0.00 60.65 59.53 2dcl s ILE 14 Cb -0.15 -2.73 -0.03 0.00 0.01 0.00 0.00 42.46 39.57 2dcl s ILE 14 CO -0.01 0.10 0.12 -0.31 0.00 0.00 0.00 174.94 174.84 2dcl s TYR 15 N 1.38 3.15 0.22 3.97 1.51 0.92 -1.11 117.35 127.39 2dcl s TYR 15 Ca 0.00 -0.36 0.00 0.00 -1.01 0.00 0.00 57.07 55.70 2dcl s TYR 15 Cb -0.17 -2.31 -0.04 0.00 -0.11 0.00 0.00 41.96 39.33 2dcl s TYR 15 CO -0.01 -0.35 0.17 0.96 -1.11 0.00 0.00 175.55 175.20 2dcl s ILE 16 N 1.64 0.00 0.34 2.71 -4.36 -0.76 -0.96 121.20 119.82 2dcl s ILE 16 Ca 0.06 -1.98 -0.10 0.00 -0.26 0.00 0.00 60.65 58.36 2dcl s ILE 16 Cb -0.16 -2.49 -0.07 0.00 1.25 0.00 0.00 42.46 40.99 2dcl s ILE 16 CO 0.06 0.00 0.70 -0.83 0.24 0.00 0.00 174.94 175.11 2dcl s GLY 17 N -3.19 2.06 0.47 6.27 0.00 -1.26 -0.39 107.32 111.28 2dcl s GLY 17 Ca 0.39 -0.22 0.25 0.00 0.00 0.00 0.00 44.72 45.14 2dcl s GLY 17 CO 0.15 -0.04 1.95 -2.09 0.00 0.00 0.00 173.10 173.07 2dcl h GLU 18 N 1.73 0.00 -0.01 2.90 4.81 -1.12 -2.69 114.58 120.20 2dcl h GLU 18 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 2dcl h GLU 18 Cb 1.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.56 2dcl h GLU 18 CO 0.65 0.19 -0.45 0.09 -0.73 0.00 0.00 179.01 178.77 2dcl n ASN 19 N -3.59 1.30 -4.64 1.04 3.02 -1.26 -4.80 115.26 106.33 2dcl n ASN 19 Ca -0.01 -1.04 -0.42 0.00 -0.03 0.00 0.00 54.58 53.09 2dcl n ASN 19 Cb 0.33 0.36 0.01 0.00 -0.61 0.00 0.00 39.78 39.87 2dcl n ASN 19 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2dcl n ASP 20 N -0.64 1.73 -4.23 6.41 10.43 -1.02 -4.86 116.55 124.37 2dcl n ASP 20 Ca 0.09 1.08 -0.14 0.00 2.57 0.00 0.00 54.79 58.39 2dcl n ASP 20 Cb 0.39 -1.40 -0.10 0.00 1.84 0.00 0.00 41.12 41.84 2dcl n ASP 20 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 2dcl s LYS 21 N -2.03 1.00 -0.12 -1.24 1.02 -1.26 -1.39 119.74 115.72 2dcl s LYS 21 Ca 0.62 -1.36 -0.03 0.00 0.02 0.00 0.00 55.97 55.21 2dcl s LYS 21 Cb -0.55 -0.60 0.05 0.00 -0.52 0.00 0.00 37.83 36.20 2dcl s LYS 21 CO 0.58 0.08 0.06 -0.46 -0.92 0.00 0.00 175.35 174.68 2dcl s TRP 22 N -3.05 0.36 -1.56 3.18 -0.11 0.31 -4.70 118.94 113.36 2dcl s TRP 22 Ca 0.13 -0.20 -0.15 0.00 1.22 0.00 0.00 56.10 57.11 2dcl s TRP 22 Cb 0.01 -0.70 0.10 0.00 -1.50 0.00 0.00 33.47 31.38 2dcl s TRP 22 CO 0.00 -0.40 0.93 0.39 -4.62 0.00 0.00 176.95 173.26 2dcl n GLU 23 N 5.23 -5.03 0.00 5.86 1.02 -1.26 -1.43 120.64 125.03 2dcl n GLU 23 Ca -0.06 0.55 0.00 0.00 -0.02 0.00 0.00 57.16 57.63 2dcl n GLU 23 Cb 0.49 -5.42 0.00 0.00 -0.02 0.00 0.00 31.44 26.49 2dcl n GLU 23 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dcl n GLY 24 N -1.62 2.71 3.95 0.62 0.00 -1.26 -5.03 105.19 104.56 2dcl n GLY 24 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 2dcl n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dcl s ARG 25 N -0.24 3.45 0.08 1.61 0.52 -0.52 -5.04 118.95 118.81 2dcl s ARG 25 Ca 0.00 -0.63 -0.31 0.00 -0.52 0.00 0.00 55.73 54.28 2dcl s ARG 25 Cb 0.00 -2.92 -0.10 0.00 0.52 0.00 0.00 34.95 32.45 2dcl s ARG 25 CO 0.00 0.47 1.90 -2.14 0.02 0.00 0.00 175.30 175.55 2dcl s PRO 26 N -3.52 4.14 0.34 3.54 0.02 -1.26 -0.53 135.00 137.72 2dcl s PRO 26 Ca 0.35 2.61 0.09 0.00 0.02 0.00 0.00 61.00 64.07 2dcl s PRO 26 Cb -0.10 -3.86 0.84 0.00 0.02 0.00 0.00 34.50 31.39 2dcl s PRO 26 CO 0.29 -0.90 1.80 1.25 -0.33 0.00 0.00 177.00 179.11 2dcl h LEU 27 N 9.57 0.68 -0.73 -5.54 5.85 -1.51 -1.72 115.31 121.92 2dcl h LEU 27 Ca -0.48 0.08 -0.13 0.00 0.84 0.00 0.00 57.88 58.19 2dcl h LEU 27 Cb 1.23 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 2dcl h LEU 27 CO 0.94 0.25 -0.44 0.10 -0.34 0.00 0.00 178.44 178.95 2dcl h TYR 28 N 0.67 0.53 -0.39 1.25 -0.00 -1.88 -1.01 116.97 116.13 2dcl h TYR 28 Ca 0.55 -0.16 -0.08 0.00 0.00 0.00 0.00 58.73 59.04 2dcl h TYR 28 Cb 0.99 -0.11 -0.01 0.00 0.00 0.00 0.00 36.73 37.59 2dcl h TYR 28 CO -0.00 0.81 -0.07 0.87 -0.00 0.00 0.00 178.16 179.76 2dcl h LYS 29 N 0.36 0.74 -0.65 0.10 1.57 -1.71 -0.47 116.57 116.52 2dcl h LYS 29 Ca 0.03 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 2dcl h LYS 29 Cb 0.92 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.15 2dcl h LYS 29 CO 0.08 0.87 0.41 0.28 -0.57 0.00 0.00 179.45 180.52 2dcl h VAL 30 N 0.56 1.18 -0.13 0.50 2.07 -1.26 0.12 116.25 119.29 2dcl h VAL 30 Ca 0.10 -0.36 0.01 0.00 0.82 0.00 0.00 66.70 67.27 2dcl h VAL 30 Cb 0.59 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 2dcl h VAL 30 CO 0.03 0.18 0.05 0.40 0.02 0.00 0.00 177.57 178.25 2dcl h ILE 31 N 0.88 0.98 -0.01 4.57 2.04 -0.94 -0.67 117.51 124.36 2dcl h ILE 31 Ca 0.23 -0.04 -0.05 0.00 1.00 0.00 0.00 64.86 66.01 2dcl h ILE 31 Cb -0.07 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 2dcl h ILE 31 CO -0.05 0.02 -0.21 0.58 0.00 0.00 0.00 178.15 178.50 2dcl h VAL 32 N 0.12 1.16 -0.30 1.67 2.07 -0.74 -2.06 116.25 118.16 2dcl h VAL 32 Ca 0.05 -0.74 -0.06 0.00 0.82 0.00 0.00 66.70 66.77 2dcl h VAL 32 Cb 0.02 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 2dcl h VAL 32 CO -0.05 0.21 -0.05 -0.08 0.02 0.00 0.00 177.57 177.62 2dcl h GLU 33 N 0.02 0.57 -0.33 1.57 4.81 -0.08 -2.67 114.58 118.47 2dcl h GLU 33 Ca 0.00 -0.21 -0.04 0.00 -0.13 0.00 0.00 59.36 58.99 2dcl h GLU 33 Cb 0.38 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 2dcl h GLU 33 CO 0.03 0.75 0.07 0.87 -0.73 0.00 0.00 179.01 179.99 2dcl h LYS 34 N 0.34 0.54 -0.88 1.92 1.79 -0.70 -2.65 116.57 116.93 2dcl h LYS 34 Ca 0.08 -0.14 0.12 0.00 -2.18 0.00 0.00 60.65 58.52 2dcl h LYS 34 Cb 0.53 -0.07 -0.07 0.00 -1.58 0.00 0.00 32.23 31.05 2dcl h LYS 34 CO 0.03 0.62 0.57 -0.07 -1.08 0.00 0.00 179.45 179.51 2dcl h LEU 35 N 0.38 0.73 -0.06 2.94 3.38 -1.36 -0.45 115.31 120.87 2dcl h LEU 35 Ca 0.10 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 2dcl h LEU 35 Cb 0.33 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 2dcl h LEU 35 CO 0.00 0.41 0.01 -0.09 0.09 0.00 0.00 178.44 178.86 2dcl h ARG 36 N 0.80 0.11 -0.02 1.13 2.43 -1.18 -2.76 114.38 114.88 2dcl h ARG 36 Ca 0.42 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.57 2dcl h ARG 36 Cb 0.54 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 2dcl h ARG 36 CO -0.19 0.33 0.00 -0.85 -1.51 0.00 0.00 179.97 177.75 2dcl n GLU 37 N -4.89 1.08 -0.00 0.20 0.28 -0.82 -2.81 120.64 113.67 2dcl n GLU 37 Ca -0.07 -0.11 0.10 0.00 -0.16 0.00 0.00 57.16 56.92 2dcl n GLU 37 Cb 0.16 -1.32 -0.13 0.00 1.43 0.00 0.00 31.44 31.58 2dcl n GLU 37 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 2dcl n MET 38 N -0.70 0.13 -2.25 3.44 2.81 -0.24 -4.99 117.12 115.32 2dcl n MET 38 Ca 0.15 -0.02 -0.04 0.00 -1.81 0.00 0.00 57.70 55.98 2dcl n MET 38 Cb 0.10 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.12 2dcl n MET 38 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2dcl n GLY 39 N 1.47 0.34 3.80 3.03 0.00 -1.12 -5.03 105.19 107.68 2dcl n GLY 39 Ca 0.03 -0.67 -0.35 0.00 0.00 0.00 0.00 46.02 45.03 2dcl n GLY 39 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dcl s ILE 40 N -2.43 4.11 0.22 -0.61 1.09 -1.11 -4.97 121.20 117.50 2dcl s ILE 40 Ca 0.03 1.50 -0.18 0.00 -1.10 0.00 0.00 60.65 60.90 2dcl s ILE 40 Cb -0.01 -3.72 0.21 0.00 -1.06 0.00 0.00 42.46 37.88 2dcl s ILE 40 CO 0.04 -0.10 1.56 0.00 -0.10 0.00 0.00 174.94 176.34 2dcl h ALA 41 N 2.36 0.11 0.00 9.38 0.00 -1.91 -3.47 119.26 125.74 2dcl h ALA 41 Ca -0.48 0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2dcl h ALA 41 Cb 1.20 0.93 0.00 0.00 0.00 0.00 0.00 17.79 19.91 2dcl h ALA 41 CO 0.62 -0.63 0.00 0.41 0.00 0.00 0.00 179.25 179.65 2dcl n GLY 42 N -1.47 -1.34 3.55 0.00 0.00 -1.26 -5.11 105.19 99.56 2dcl n GLY 42 Ca 0.08 -0.96 -0.12 0.00 0.00 0.00 0.00 46.02 45.02 2dcl n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dcl s ALA 43 N -1.41 -1.86 -0.05 4.61 0.00 -1.26 -4.37 121.76 117.41 2dcl s ALA 43 Ca 0.00 1.41 0.02 0.00 0.00 0.00 0.00 51.96 53.39 2dcl s ALA 43 Cb 0.00 -0.32 0.01 0.00 0.00 0.00 0.00 23.12 22.81 2dcl s ALA 43 CO 0.00 -0.39 -0.12 0.99 0.00 0.00 0.00 175.76 176.25 2dcl s THR 44 N -1.47 1.06 -0.16 0.00 2.01 -0.29 -4.97 115.64 111.82 2dcl s THR 44 Ca -0.03 -0.46 -0.03 0.00 0.31 0.00 0.00 61.69 61.48 2dcl s THR 44 Cb -0.00 -0.97 -0.02 0.00 0.01 0.00 0.00 72.50 71.52 2dcl s THR 44 CO 0.02 0.33 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.54 2dcl s VAL 45 N 0.54 3.61 0.15 3.82 1.01 -1.26 -0.54 120.40 127.73 2dcl s VAL 45 Ca -0.11 -0.45 0.11 0.00 0.00 0.00 0.00 61.98 61.52 2dcl s VAL 45 Cb -0.14 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 2dcl s VAL 45 CO 0.03 0.48 -0.22 -0.31 0.00 0.00 0.00 175.10 175.08 2dcl s TYR 46 N 0.58 2.38 -0.20 5.22 1.51 0.59 -4.94 117.35 122.50 2dcl s TYR 46 Ca -0.04 -0.33 0.01 0.00 -1.01 0.00 0.00 57.07 55.69 2dcl s TYR 46 Cb -0.15 -1.24 0.02 0.00 -0.11 0.00 0.00 41.96 40.49 2dcl s TYR 46 CO 0.03 0.42 -0.17 0.50 -1.11 0.00 0.00 175.55 175.22 2dcl s ARG 47 N -2.36 2.90 1.11 -0.62 3.52 -1.26 0.30 118.95 122.54 2dcl s ARG 47 Ca 0.18 -0.90 -0.17 0.00 -0.13 0.00 0.00 55.73 54.71 2dcl s ARG 47 Cb -0.09 -2.67 0.25 0.00 -1.56 0.00 0.00 34.95 30.88 2dcl s ARG 47 CO 0.09 -0.27 1.15 0.20 -0.81 0.00 0.00 175.30 175.66 2dcl s GLY 48 N 1.28 1.62 -0.00 8.12 0.00 0.11 -4.97 107.32 113.48 2dcl s GLY 48 Ca 0.03 -0.91 0.13 0.00 0.00 0.00 0.00 44.72 43.97 2dcl s GLY 48 CO -0.11 -0.10 0.55 0.29 0.00 0.00 0.00 173.10 173.73 2dcl n ILE 49 N -4.42 0.00 -3.57 0.90 -5.35 -1.26 -4.39 119.36 101.27 2dcl n ILE 49 Ca 0.12 -0.19 -0.08 0.00 -0.27 0.00 0.00 62.75 62.32 2dcl n ILE 49 Cb 0.59 0.93 -0.04 0.00 -1.74 0.00 0.00 39.64 39.38 2dcl n ILE 49 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 2dcl s TYR 50 N -2.33 -0.30 0.03 4.28 5.04 -1.26 -4.95 117.35 117.86 2dcl s TYR 50 Ca 0.04 0.42 -0.28 0.00 -2.44 0.00 0.00 57.07 54.81 2dcl s TYR 50 Cb 0.10 0.48 0.09 0.00 0.35 0.00 0.00 41.96 42.99 2dcl s TYR 50 CO 0.56 -0.34 1.02 0.20 -1.34 0.00 0.00 175.55 175.65 2dcl s GLY 51 N -1.52 -0.35 -0.18 8.97 0.00 -1.26 -4.73 107.32 108.25 2dcl s GLY 51 Ca 0.02 0.68 -0.28 0.00 0.00 0.00 0.00 44.72 45.14 2dcl s GLY 51 CO -0.02 0.19 0.82 -0.11 0.00 0.00 0.00 173.10 173.98 2dcl s PHE 52 N -2.99 -0.61 -0.06 1.90 -0.12 -1.26 -4.96 117.98 109.88 2dcl s PHE 52 Ca 0.10 1.28 -0.01 0.00 -0.05 0.00 0.00 56.93 58.25 2dcl s PHE 52 Cb -0.00 0.37 0.03 0.00 -0.63 0.00 0.00 43.02 42.78 2dcl s PHE 52 CO -0.03 -0.42 0.01 0.20 -0.05 0.00 0.00 175.22 174.93 2dcl s GLY 53 N -0.43 0.39 0.41 1.99 0.00 -1.26 -4.99 107.32 103.44 2dcl s GLY 53 Ca -0.03 -0.02 0.18 0.00 0.00 0.00 0.00 44.72 44.85 2dcl s GLY 53 CO 0.03 1.09 1.82 0.07 0.00 0.00 0.00 173.10 176.10 2dcl h LYS 54 N 8.16 0.39 -0.59 2.90 2.10 -2.01 -3.51 116.57 124.00 2dcl h LYS 54 Ca -0.22 -0.02 -0.31 0.00 -2.00 0.00 0.00 60.65 58.10 2dcl h LYS 54 Cb 1.13 -0.09 -0.23 0.00 -0.90 0.00 0.00 32.23 32.14 2dcl h LYS 54 CO 0.27 0.26 -0.67 1.17 -2.00 0.00 0.00 179.45 178.48 2dcl n LYS 55 N -4.55 1.02 -3.05 0.07 4.81 -1.26 -5.21 118.16 109.99 2dcl n LYS 55 Ca 0.22 -2.37 0.03 0.00 -0.87 0.00 0.00 58.31 55.31 2dcl n LYS 55 Cb 0.78 -1.17 -0.00 0.00 0.02 0.00 0.00 35.03 34.66 2dcl n LYS 55 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2dcl s SER 67 N -1.64 -0.98 0.00 3.14 0.15 -1.26 -4.37 113.70 108.74 2dcl s SER 67 Ca 0.27 -0.28 0.30 0.00 0.70 0.00 0.00 55.95 56.94 2dcl s SER 67 Cb 0.32 1.37 1.38 0.00 -1.71 0.00 0.00 66.02 67.38 2dcl s SER 67 CO -0.06 -0.13 1.93 1.07 1.20 0.00 0.00 173.24 177.25 2dcl n THR 68 N 4.48 0.00 -3.88 6.45 5.66 -1.26 -4.52 114.28 121.21 2dcl n THR 68 Ca 0.08 -0.14 -0.31 0.00 -3.05 0.00 0.00 64.05 60.62 2dcl n THR 68 Cb 0.59 0.09 -0.12 0.00 -1.55 0.00 0.00 70.33 69.34 2dcl n THR 68 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2dcl s ASP 69 N -2.03 4.71 0.57 1.09 2.15 -1.26 -4.93 116.67 116.97 2dcl s ASP 69 Ca 0.41 -3.24 -0.20 0.00 0.43 0.00 0.00 52.55 49.94 2dcl s ASP 69 Cb 0.21 -1.70 -0.05 0.00 -0.30 0.00 0.00 42.92 41.09 2dcl s ASP 69 CO 0.36 -0.21 1.21 0.18 -0.17 0.00 0.00 175.17 176.53 2dcl n LEU 70 N 2.84 4.88 -4.76 -1.34 4.77 -1.26 -4.54 117.00 117.60 2dcl n LEU 70 Ca 0.10 0.91 -0.40 0.00 -0.03 0.00 0.00 56.01 56.59 2dcl n LEU 70 Cb 0.34 -1.50 -0.05 0.00 -2.33 0.00 0.00 43.42 39.88 2dcl n LEU 70 CO 0.32 -1.09 0.75 -2.84 -1.33 0.00 0.00 177.39 173.21 2dcl s PRO 71 N -2.87 4.67 -0.06 3.23 0.02 -1.26 -0.65 135.00 138.08 2dcl s PRO 71 Ca 0.74 1.71 0.05 0.00 0.02 0.00 0.00 61.00 63.52 2dcl s PRO 71 Cb -0.42 -3.17 -0.01 0.00 0.02 0.00 0.00 34.50 30.92 2dcl s PRO 71 CO 0.47 0.27 -0.22 0.42 -0.33 0.00 0.00 177.00 177.62 2dcl s ILE 72 N -1.20 1.81 -0.14 2.83 -1.09 0.48 0.08 121.20 123.97 2dcl s ILE 72 Ca 0.44 -0.92 0.02 0.00 -2.23 0.00 0.00 60.65 57.96 2dcl s ILE 72 Cb -0.30 -1.54 0.02 0.00 -1.58 0.00 0.00 42.46 39.06 2dcl s ILE 72 CO 0.38 0.51 -0.18 -0.63 -1.23 0.00 0.00 174.94 173.78 2dcl s ILE 73 N -0.02 1.82 -0.25 2.92 1.09 0.15 -1.82 121.20 125.08 2dcl s ILE 73 Ca -0.05 -0.82 -0.09 0.00 -1.10 0.00 0.00 60.65 58.59 2dcl s ILE 73 Cb -0.13 -1.65 -0.04 0.00 -1.06 0.00 0.00 42.46 39.58 2dcl s ILE 73 CO 0.04 0.50 0.12 -0.69 -0.10 0.00 0.00 174.94 174.80 2dcl s VAL 74 N 1.06 4.77 -0.10 2.92 1.01 -0.26 -0.30 120.40 129.50 2dcl s VAL 74 Ca -0.03 -0.02 0.02 0.00 0.00 0.00 0.00 61.98 61.95 2dcl s VAL 74 Cb -0.14 -3.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.98 2dcl s VAL 74 CO -0.05 0.32 -0.15 -0.70 0.00 0.00 0.00 175.10 174.52 2dcl s GLU 75 N 1.48 3.02 -0.05 2.72 2.12 0.30 -0.52 118.70 127.78 2dcl s GLU 75 Ca 0.06 -0.72 -0.00 0.00 0.36 0.00 0.00 54.97 54.67 2dcl s GLU 75 Cb -0.15 -2.49 0.02 0.00 0.26 0.00 0.00 34.13 31.78 2dcl s GLU 75 CO 0.06 0.35 -0.02 0.14 -0.54 0.00 0.00 175.26 175.25 2dcl s VAL 76 N -0.02 0.44 -0.24 3.70 -7.23 -0.05 -1.14 120.40 115.85 2dcl s VAL 76 Ca -0.04 -0.00 -0.07 0.00 -1.81 0.00 0.00 61.98 60.06 2dcl s VAL 76 Cb -0.14 -0.52 -0.03 0.00 0.56 0.00 0.00 36.38 36.25 2dcl s VAL 76 CO 0.04 0.23 0.05 -0.69 -0.31 0.00 0.00 175.10 174.42 2dcl s VAL 77 N 1.36 4.18 0.32 1.32 1.01 -1.26 -0.78 120.40 126.55 2dcl s VAL 77 Ca -0.04 -0.22 -0.14 0.00 0.00 0.00 0.00 61.98 61.58 2dcl s VAL 77 Cb -0.13 -2.94 0.06 0.00 0.00 0.00 0.00 36.38 33.36 2dcl s VAL 77 CO -0.02 0.36 0.74 -0.67 0.00 0.00 0.00 175.10 175.51 2dcl n ASP 78 N 4.80 -1.97 -4.74 3.32 -0.08 -0.91 -4.56 116.55 112.41 2dcl n ASP 78 Ca -0.16 -2.32 -0.33 0.00 -1.51 0.00 0.00 54.79 50.46 2dcl n ASP 78 Cb 0.51 3.28 0.08 0.00 2.34 0.00 0.00 41.12 47.33 2dcl n ASP 78 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 2dcl s ARG 79 N -2.07 2.33 0.15 -0.67 0.52 -1.26 -0.45 118.95 117.48 2dcl s ARG 79 Ca 0.15 1.54 -0.21 0.00 -0.52 0.00 0.00 55.73 56.70 2dcl s ARG 79 Cb -0.04 -1.88 0.03 0.00 0.52 0.00 0.00 34.95 33.58 2dcl s ARG 79 CO 0.10 -1.65 1.66 0.78 0.02 0.00 0.00 175.30 176.21 2dcl h GLY 80 N -0.36 0.01 0.80 -3.53 0.00 -1.88 -2.45 103.07 95.67 2dcl h GLY 80 Ca -0.47 0.20 0.03 0.00 0.00 0.00 0.00 47.33 47.09 2dcl h GLY 80 CO 0.51 -0.16 0.22 0.84 0.00 0.00 0.00 176.54 177.95 2dcl h HIS 81 N -0.14 0.41 -0.43 5.60 6.17 -1.92 -1.07 115.15 123.77 2dcl h HIS 81 Ca 0.13 0.02 0.06 0.00 0.71 0.00 0.00 60.37 61.29 2dcl h HIS 81 Cb 0.35 -0.12 -0.05 0.00 2.52 0.00 0.00 27.41 30.10 2dcl h HIS 81 CO -0.33 0.21 0.13 -0.91 0.71 0.00 0.00 177.93 177.75 2dcl h ASN 82 N 0.45 0.12 0.09 3.26 4.21 -1.89 -1.27 115.58 120.55 2dcl h ASN 82 Ca 0.18 0.06 -0.04 0.00 1.21 0.00 0.00 56.30 57.71 2dcl h ASN 82 Cb 0.08 0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 37.32 2dcl h ASN 82 CO -0.12 0.10 -0.14 0.40 -1.29 0.00 0.00 177.43 176.38 2dcl h ILE 83 N 0.29 1.15 -0.52 2.81 1.08 -0.98 -2.06 117.51 119.28 2dcl h ILE 83 Ca 0.20 -0.67 -0.12 0.00 -0.39 0.00 0.00 64.86 63.88 2dcl h ILE 83 Cb 0.21 1.25 -0.02 0.00 -3.07 0.00 0.00 36.82 35.20 2dcl h ILE 83 CO -0.22 0.20 -0.15 -0.08 -0.69 0.00 0.00 178.15 177.21 2dcl h GLU 84 N 0.12 1.02 0.35 2.37 4.81 -0.11 -2.18 114.58 120.95 2dcl h GLU 84 Ca 0.02 -0.40 -0.00 0.00 -0.13 0.00 0.00 59.36 58.85 2dcl h GLU 84 Cb 0.33 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 2dcl h GLU 84 CO 0.02 1.08 -0.29 0.87 -0.73 0.00 0.00 179.01 179.97 2dcl h LYS 85 N 0.88 -0.62 -0.61 1.92 1.57 -0.66 -2.29 116.57 116.76 2dcl h LYS 85 Ca 0.13 0.04 0.12 0.00 -1.87 0.00 0.00 60.65 59.07 2dcl h LYS 85 Cb 0.72 0.14 -0.10 0.00 0.08 0.00 0.00 32.23 33.08 2dcl h LYS 85 CO 0.06 -0.41 0.06 0.28 -0.57 0.00 0.00 179.45 178.87 2dcl h VAL 86 N -0.64 0.56 -0.52 0.50 2.07 -1.30 -1.23 116.25 115.69 2dcl h VAL 86 Ca -0.03 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.44 2dcl h VAL 86 Cb 0.57 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 2dcl h VAL 86 CO -0.02 0.03 0.34 0.58 0.02 0.00 0.00 177.57 178.52 2dcl h VAL 87 N 0.18 1.14 -0.01 2.57 2.07 -1.25 -0.08 116.25 120.87 2dcl h VAL 87 Ca 0.32 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.57 2dcl h VAL 87 Cb 0.51 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 2dcl h VAL 87 CO -0.47 0.13 -0.07 0.78 0.02 0.00 0.00 177.57 177.97 2dcl h ASN 88 N 0.71 0.01 0.17 0.57 2.35 -0.68 0.79 115.58 119.50 2dcl h ASN 88 Ca 0.19 -0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.69 2dcl h ASN 88 Cb -0.07 -0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.31 2dcl h ASN 88 CO -0.04 0.08 -1.18 0.58 -1.65 0.00 0.00 177.43 175.22 2dcl h VAL 89 N 0.01 1.30 0.00 2.81 2.07 -0.66 -3.39 116.25 118.40 2dcl h VAL 89 Ca 0.00 -2.54 -0.03 0.00 0.82 0.00 0.00 66.70 64.95 2dcl h VAL 89 Cb 0.13 3.02 -0.00 0.00 -1.52 0.00 0.00 31.29 32.92 2dcl h VAL 89 CO 0.01 0.75 -0.55 0.40 0.02 0.00 0.00 177.57 178.19 2dcl h ILE 90 N -0.20 0.15 -0.74 4.57 2.04 -0.83 -3.38 117.51 119.13 2dcl h ILE 90 Ca -0.22 -1.24 0.13 0.00 1.00 0.00 0.00 64.86 64.53 2dcl h ILE 90 Cb 1.83 1.87 -0.09 0.00 -0.74 0.00 0.00 36.82 39.69 2dcl h ILE 90 CO 0.16 0.09 0.31 0.11 0.00 0.00 0.00 178.15 178.82 2dcl h LYS 91 N 0.00 0.47 -0.80 2.37 1.57 -1.03 -2.10 116.57 117.05 2dcl h LYS 91 Ca -0.02 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 2dcl h LYS 91 Cb 1.10 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 33.27 2dcl h LYS 91 CO 0.01 0.31 0.40 -1.35 -0.57 0.00 0.00 179.45 178.25 2dcl h PRO 92 N 0.49 1.13 0.00 3.15 0.11 -1.83 -2.83 132.00 132.22 2dcl h PRO 92 Ca 0.39 -0.15 0.00 0.00 0.11 0.00 0.00 66.00 66.35 2dcl h PRO 92 Cb 0.55 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.45 2dcl h PRO 92 CO -0.36 0.86 0.00 -1.33 -0.21 0.00 0.00 178.00 176.96 2dcl n MET 93 N -4.32 0.17 -3.80 1.05 2.81 -0.80 -4.60 117.12 107.62 2dcl n MET 93 Ca 0.08 0.39 -0.36 0.00 -1.81 0.00 0.00 57.70 56.00 2dcl n MET 93 Cb 0.13 -1.82 -0.12 0.00 -0.71 0.00 0.00 33.22 30.69 2dcl n MET 93 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 2dcl s ILE 94 N -3.27 3.40 -0.44 2.02 1.01 -1.07 -4.90 121.20 117.95 2dcl s ILE 94 Ca 0.05 -1.51 0.21 0.00 0.00 0.00 0.00 60.65 59.40 2dcl s ILE 94 Cb 0.09 -3.06 -0.28 0.00 0.01 0.00 0.00 42.46 39.22 2dcl s ILE 94 CO 0.38 -0.33 0.64 0.29 0.00 0.00 0.00 174.94 175.93 2dcl n LYS 95 N 4.69 0.47 -3.48 2.79 4.76 -1.26 -4.86 118.16 121.28 2dcl n LYS 95 Ca -0.10 -0.11 -0.18 0.00 -2.87 0.00 0.00 58.31 55.05 2dcl n LYS 95 Cb 0.43 -1.48 -0.12 0.00 -1.84 0.00 0.00 35.03 32.01 2dcl n LYS 95 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2dcl s ASP 96 N -3.77 1.44 0.00 4.39 2.15 -1.26 -5.10 116.67 114.53 2dcl s ASP 96 Ca -0.01 -0.31 0.00 0.00 0.43 0.00 0.00 52.55 52.67 2dcl s ASP 96 Cb 0.14 0.40 0.00 0.00 -0.30 0.00 0.00 42.92 43.16 2dcl s ASP 96 CO 0.86 -0.34 0.00 0.61 -0.17 0.00 0.00 175.17 176.13 2dcl n GLY 97 N 5.32 -0.30 3.34 2.66 0.00 -1.26 -4.50 105.19 110.45 2dcl n GLY 97 Ca -0.05 -1.08 -0.14 0.00 0.00 0.00 0.00 46.02 44.76 2dcl n GLY 97 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2dcl s MET 98 N -2.00 0.90 -0.17 1.61 0.23 -0.13 -4.97 119.30 114.76 2dcl s MET 98 Ca 0.00 -0.22 0.00 0.00 -1.03 0.00 0.00 55.69 54.44 2dcl s MET 98 Cb 0.00 0.41 0.04 0.00 -1.53 0.00 0.00 34.83 33.74 2dcl s MET 98 CO 0.00 -0.30 -0.10 0.42 -2.03 0.00 0.00 175.02 173.02 2dcl s ILE 99 N -2.04 1.44 0.26 3.16 1.01 -1.26 -0.06 121.20 123.71 2dcl s ILE 99 Ca -0.08 -0.75 0.11 0.00 0.00 0.00 0.00 60.65 59.93 2dcl s ILE 99 Cb -0.02 -1.49 -0.05 0.00 0.01 0.00 0.00 42.46 40.92 2dcl s ILE 99 CO 0.01 0.26 -0.16 0.42 0.00 0.00 0.00 174.94 175.47 2dcl s THR 100 N 1.50 2.71 -0.22 2.92 -4.23 -0.28 -4.98 115.64 113.07 2dcl s THR 100 Ca 0.01 -2.19 -0.18 0.00 -1.18 0.00 0.00 61.69 58.15 2dcl s THR 100 Cb -0.15 -2.41 0.06 0.00 1.34 0.00 0.00 72.50 71.35 2dcl s THR 100 CO -0.09 -0.33 0.58 0.54 -0.54 0.00 0.00 174.62 174.78 2dcl s VAL 101 N -2.28 -0.00 0.07 2.29 0.11 -1.26 -0.99 120.40 118.33 2dcl s VAL 101 Ca 0.28 0.01 -0.17 0.00 -2.93 0.00 0.00 61.98 59.17 2dcl s VAL 101 Cb -0.06 -0.82 0.03 0.00 -1.53 0.00 0.00 36.38 34.01 2dcl s VAL 101 CO 0.15 0.00 0.40 -1.83 -3.33 0.00 0.00 175.10 170.50 2dcl s GLU 102 N 0.64 0.96 0.76 1.54 1.03 -1.07 -4.99 118.70 117.57 2dcl s GLU 102 Ca -0.03 -0.46 -0.12 0.00 0.03 0.00 0.00 54.97 54.39 2dcl s GLU 102 Cb -0.05 0.42 0.06 0.00 -0.80 0.00 0.00 34.13 33.76 2dcl s GLU 102 CO -0.04 -0.34 1.13 -2.14 -1.33 0.00 0.00 175.26 172.54 2dcl s PRO 103 N -2.84 2.13 0.13 -4.83 0.02 -1.26 -0.72 135.00 127.63 2dcl s PRO 103 Ca -0.03 1.40 -0.21 0.00 0.02 0.00 0.00 61.00 62.17 2dcl s PRO 103 Cb -0.00 -1.87 0.06 0.00 0.02 0.00 0.00 34.50 32.71 2dcl s PRO 103 CO -0.05 -1.77 0.54 -0.08 -0.33 0.00 0.00 177.00 175.31 2dcl s THR 104 N -2.56 0.02 -0.19 0.99 -1.32 -0.89 -4.71 115.64 106.98 2dcl s THR 104 Ca 0.66 -0.18 -0.03 0.00 -1.21 0.00 0.00 61.69 60.92 2dcl s THR 104 Cb -0.21 -1.04 -0.01 0.00 -1.51 0.00 0.00 72.50 69.72 2dcl s THR 104 CO 0.51 -0.10 -0.05 -0.63 -2.21 0.00 0.00 174.62 172.14 2dcl s ILE 105 N -3.58 3.50 -0.22 5.08 1.01 -1.26 -3.82 121.20 121.91 2dcl s ILE 105 Ca 0.01 -0.47 -0.18 0.00 0.00 0.00 0.00 60.65 60.01 2dcl s ILE 105 Cb -0.00 -2.56 -0.03 0.00 0.01 0.00 0.00 42.46 39.87 2dcl s ILE 105 CO -0.11 0.45 0.52 -0.69 0.00 0.00 0.00 174.94 175.10 2dcl s VAL 106 N 1.06 5.10 -0.20 2.92 1.01 -1.25 -4.97 120.40 124.06 2dcl s VAL 106 Ca 0.01 0.93 -0.07 0.00 0.00 0.00 0.00 61.98 62.84 2dcl s VAL 106 Cb -0.15 -3.84 -0.20 0.00 0.00 0.00 0.00 36.38 32.20 2dcl s VAL 106 CO 0.00 0.15 0.03 0.18 0.00 0.00 0.00 175.10 175.46 2dcl n LEU 107 N 5.01 2.53 0.00 3.92 4.77 -1.26 -1.86 117.00 130.11 2dcl n LEU 107 Ca -0.05 0.15 -0.25 0.00 -0.03 0.00 0.00 56.01 55.83 2dcl n LEU 107 Cb 0.50 -0.98 -0.07 0.00 -2.33 0.00 0.00 43.42 40.54 2dcl n LEU 107 CO 0.41 0.75 -0.16 1.87 -1.33 0.00 0.00 177.39 178.93 2dcl n TRP 108 N -3.68 0.19 -0.08 -1.77 -0.00 -1.26 -3.97 117.44 106.87 2dcl n TRP 108 Ca -0.40 -2.59 0.00 0.00 -0.00 0.00 0.00 57.50 54.51 2dcl n TRP 108 Cb 0.95 -0.02 0.00 0.00 -0.00 0.00 0.00 31.31 32.23 2dcl n TRP 108 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 177.69 179.02 2dcl n VAL 109 N -0.93 0.00 -0.69 5.87 0.24 -1.26 -4.95 118.33 116.61 2dcl n VAL 109 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 2dcl n VAL 109 Cb 0.61 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.98 2dcl n VAL 109 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30