#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1idb s GLN 2 N 0.00 0.68 -0.23 -0.52 0.74 -1.26 -5.12 119.66 113.95 1idb s GLN 2 Ca 0.00 -0.36 0.02 0.00 0.05 0.00 0.00 55.36 55.07 1idb s GLN 2 Cb 0.00 -0.64 0.05 0.00 1.10 0.00 0.00 33.01 33.51 1idb s GLN 2 CO 0.00 0.17 -0.13 -0.06 -0.55 0.00 0.00 175.29 174.72 1idb s PHE 3 N -0.33 2.98 0.72 1.67 0.40 -1.26 -5.12 117.98 117.04 1idb s PHE 3 Ca 0.02 -2.01 -0.11 0.00 -0.60 0.00 0.00 56.93 54.23 1idb s PHE 3 Cb -0.04 -1.87 0.02 0.00 0.51 0.00 0.00 43.02 41.64 1idb s PHE 3 CO -0.00 -0.84 1.07 -1.54 0.70 0.00 0.00 175.22 174.61 1idb s SER 4 N 1.21 5.19 -0.28 1.36 1.04 -1.26 -4.95 113.70 116.01 1idb s SER 4 Ca -0.04 1.49 0.12 0.00 0.48 0.00 0.00 55.95 57.99 1idb s SER 4 Cb -0.17 -2.33 0.66 0.00 0.10 0.00 0.00 66.02 64.28 1idb s SER 4 CO -0.08 -1.55 1.66 0.18 0.98 0.00 0.00 173.24 174.44 1idb n LEU 5 N -3.18 5.25 -0.03 2.42 4.77 -1.26 -4.47 117.00 120.51 1idb n LEU 5 Ca 0.07 -3.25 -0.04 0.00 -0.03 0.00 0.00 56.01 52.76 1idb n LEU 5 Cb 0.55 -0.68 0.17 0.00 -2.33 0.00 0.00 43.42 41.13 1idb n LEU 5 CO 0.56 0.84 0.76 -0.25 -1.33 0.00 0.00 177.39 177.97 1idb h TRP 6 N 2.25 0.66 -2.38 -1.77 2.91 -2.06 -3.42 115.95 112.14 1idb h TRP 6 Ca 0.19 -0.13 -0.55 0.00 1.13 0.00 0.00 58.89 59.52 1idb h TRP 6 Cb 2.01 -0.17 -0.14 0.00 -0.51 0.00 0.00 29.16 30.35 1idb h TRP 6 CO 1.05 0.75 -0.71 0.15 -1.03 0.00 0.00 178.44 178.65 1idb s LYS 7 N -4.62 1.61 0.23 2.65 1.02 -1.26 -5.10 119.74 114.27 1idb s LYS 7 Ca -0.08 -1.78 -0.31 0.00 0.02 0.00 0.00 55.97 53.82 1idb s LYS 7 Cb 0.14 -1.47 -0.11 0.00 -0.52 0.00 0.00 37.83 35.86 1idb s LYS 7 CO 0.80 0.18 1.63 1.03 -0.92 0.00 0.00 175.35 178.07 1idb s ARG 8 N -3.61 4.15 -1.23 1.68 0.52 -1.26 -4.88 118.95 114.32 1idb s ARG 8 Ca 0.29 2.52 -0.20 0.00 -0.52 0.00 0.00 55.73 57.82 1idb s ARG 8 Cb -0.00 -3.08 0.02 0.00 0.52 0.00 0.00 34.95 32.41 1idb s ARG 8 CO 0.13 -0.66 1.78 -1.25 0.02 0.00 0.00 175.30 175.33 1idb s PRO 9 N 0.50 3.45 -0.12 3.54 0.04 -1.26 -4.94 135.00 136.21 1idb s PRO 9 Ca 0.69 -1.62 -0.03 0.00 0.04 0.00 0.00 61.00 60.09 1idb s PRO 9 Cb -0.47 -5.42 -0.03 0.00 0.04 0.00 0.00 34.50 28.62 1idb s PRO 9 CO 0.38 -2.82 -0.02 0.08 0.04 0.00 0.00 177.00 174.65 1idb s VAL 10 N 6.57 4.06 0.35 -0.36 1.01 -1.26 -0.82 120.40 129.95 1idb s VAL 10 Ca 0.58 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 62.28 1idb s VAL 10 Cb 0.02 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 1idb s VAL 10 CO 0.08 0.55 0.13 0.68 0.00 0.00 0.00 175.10 176.53 1idb s VAL 11 N -0.25 0.60 -0.22 2.92 -7.23 -0.22 -4.93 120.40 111.07 1idb s VAL 11 Ca 0.05 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.11 1idb s VAL 11 Cb -0.13 -2.50 -0.05 0.00 0.56 0.00 0.00 36.38 34.26 1idb s VAL 11 CO 0.02 0.00 0.16 -0.89 -0.31 0.00 0.00 175.10 174.08 1idb s THR 12 N -3.39 5.37 0.22 5.32 2.01 -1.26 -0.80 115.64 123.12 1idb s THR 12 Ca 0.31 0.20 0.11 0.00 0.31 0.00 0.00 61.69 62.62 1idb s THR 12 Cb 0.05 -3.49 -0.05 0.00 0.01 0.00 0.00 72.50 69.02 1idb s THR 12 CO 0.16 0.38 -0.22 0.00 -0.69 0.00 0.00 174.62 174.25 1idb s ALA 13 N 0.80 2.54 -0.24 7.40 0.00 -0.03 -4.49 121.76 127.75 1idb s ALA 13 Ca 0.08 -1.71 -0.01 0.00 0.00 0.00 0.00 51.96 50.32 1idb s ALA 13 Cb -0.13 -0.28 0.03 0.00 0.00 0.00 0.00 23.12 22.74 1idb s ALA 13 CO 0.02 0.35 -0.08 0.71 0.00 0.00 0.00 175.76 176.76 1idb s TYR 14 N -2.03 3.04 -0.28 0.00 1.51 -0.15 0.31 117.35 119.75 1idb s TYR 14 Ca 0.24 -1.60 -0.06 0.00 -1.01 0.00 0.00 57.07 54.64 1idb s TYR 14 Cb -0.06 -2.03 0.01 0.00 -0.11 0.00 0.00 41.96 39.76 1idb s TYR 14 CO 0.11 -0.74 0.04 0.42 -1.11 0.00 0.00 175.55 174.27 1idb s ILE 15 N 1.31 3.72 -1.42 2.71 1.01 0.37 -1.75 121.20 127.15 1idb s ILE 15 Ca 0.00 -0.71 -0.03 0.00 0.00 0.00 0.00 60.65 59.92 1idb s ILE 15 Cb -0.16 -2.88 0.02 0.00 0.01 0.00 0.00 42.46 39.44 1idb s ILE 15 CO -0.06 0.15 0.55 -0.62 0.00 0.00 0.00 174.94 174.97 1idb n GLU 16 N 4.82 -3.81 -0.62 2.79 -0.58 -0.17 -1.02 120.64 122.06 1idb n GLU 16 Ca -0.15 0.46 0.00 0.00 -0.42 0.00 0.00 57.16 57.05 1idb n GLU 16 Cb 0.48 -4.80 0.00 0.00 -0.57 0.00 0.00 31.44 26.56 1idb n GLU 16 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1idb n GLY 17 N -1.82 0.81 3.64 0.62 0.00 -1.26 -5.00 105.19 102.18 1idb n GLY 17 Ca -0.25 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 1idb n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1idb s GLN 18 N -0.34 4.01 0.21 1.61 -0.21 -0.19 -4.98 119.66 119.77 1idb s GLN 18 Ca 0.00 -0.32 -0.30 0.00 0.02 0.00 0.00 55.36 54.76 1idb s GLN 18 Cb 0.00 -3.30 -0.08 0.00 1.00 0.00 0.00 33.01 30.63 1idb s GLN 18 CO 0.00 0.23 1.04 -1.25 -2.12 0.00 0.00 175.29 173.18 1idb s PRO 19 N 0.52 4.69 -0.01 2.91 0.04 -1.26 -0.48 135.00 141.41 1idb s PRO 19 Ca 0.05 1.64 -0.02 0.00 0.04 0.00 0.00 61.00 62.70 1idb s PRO 19 Cb -0.12 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.15 1idb s PRO 19 CO 0.00 0.25 0.06 0.14 0.04 0.00 0.00 177.00 177.49 1idb s VAL 20 N -0.67 0.03 -0.11 -0.36 -7.23 0.15 -4.94 120.40 107.26 1idb s VAL 20 Ca 0.46 -0.22 -0.20 0.00 -1.81 0.00 0.00 61.98 60.22 1idb s VAL 20 Cb -0.28 -0.16 -0.04 0.00 0.56 0.00 0.00 36.38 36.46 1idb s VAL 20 CO 0.35 -0.12 0.54 -1.61 -0.31 0.00 0.00 175.10 173.95 1idb s GLU 21 N -0.35 4.36 0.06 4.82 2.02 -1.26 -0.85 118.70 127.51 1idb s GLU 21 Ca -0.04 0.56 0.05 0.00 0.02 0.00 0.00 54.97 55.56 1idb s GLU 21 Cb -0.03 -3.44 -0.03 0.00 0.10 0.00 0.00 34.13 30.73 1idb s GLU 21 CO 0.00 0.13 -0.15 0.14 0.02 0.00 0.00 175.26 175.40 1idb s VAL 22 N 0.69 1.18 -0.16 2.63 -7.23 0.02 -4.39 120.40 113.15 1idb s VAL 22 Ca 0.29 -1.24 -0.19 0.00 -1.81 0.00 0.00 61.98 59.03 1idb s VAL 22 Cb -0.16 -1.11 -0.03 0.00 0.56 0.00 0.00 36.38 35.64 1idb s VAL 22 CO 0.12 -0.14 0.54 -0.22 -0.31 0.00 0.00 175.10 175.10 1idb s LEU 23 N -1.58 4.21 -0.42 1.32 2.96 -0.31 -1.06 118.68 123.80 1idb s LEU 23 Ca 0.00 0.80 -0.27 0.00 -0.22 0.00 0.00 54.13 54.44 1idb s LEU 23 Cb -0.09 -2.77 0.02 0.00 0.50 0.00 0.00 46.19 43.85 1idb s LEU 23 CO 0.02 -0.12 0.99 -0.76 -1.32 0.00 0.00 176.35 175.16 1idb s LEU 24 N 1.24 3.90 -0.32 -0.68 1.43 -0.00 -1.66 118.68 122.59 1idb s LEU 24 Ca 0.27 0.46 0.02 0.00 -1.03 0.00 0.00 54.13 53.85 1idb s LEU 24 Cb -0.16 -3.34 0.10 0.00 0.03 0.00 0.00 46.19 42.82 1idb s LEU 24 CO 0.11 -1.01 0.06 -0.62 0.23 0.00 0.00 176.35 175.11 1idb s ASP 25 N 2.11 4.43 0.00 2.29 -1.08 -0.44 -4.78 116.67 119.21 1idb s ASP 25 Ca 0.41 -1.89 0.10 0.00 -0.52 0.00 0.00 52.55 50.65 1idb s ASP 25 Cb -0.10 -1.32 0.52 0.00 -1.46 0.00 0.00 42.92 40.56 1idb s ASP 25 CO 0.24 -0.38 1.17 0.35 0.52 0.00 0.00 175.17 177.07 1idb n THR 26 N 4.50 0.61 0.94 1.71 -2.24 -1.26 -2.11 114.28 116.43 1idb n THR 26 Ca 0.00 0.15 0.09 0.00 -2.27 0.00 0.00 64.05 62.03 1idb n THR 26 Cb 0.42 -0.99 -0.10 0.00 -2.10 0.00 0.00 70.33 67.56 1idb n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1idb n GLY 27 N -0.43 -0.82 3.67 3.38 0.00 -1.26 -4.84 105.19 104.90 1idb n GLY 27 Ca 0.05 -0.57 -0.37 0.00 0.00 0.00 0.00 46.02 45.14 1idb n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1idb s ALA 28 N -2.84 3.61 0.14 4.61 0.00 -0.90 -5.00 121.76 121.38 1idb s ALA 28 Ca 0.08 -0.83 -0.11 0.00 0.00 0.00 0.00 51.96 51.10 1idb s ALA 28 Cb 0.15 -2.34 -0.03 0.00 0.00 0.00 0.00 23.12 20.90 1idb s ALA 28 CO 0.80 -0.17 1.49 -0.44 0.00 0.00 0.00 175.76 177.44 1idb h ASP 29 N 7.41 0.98 -3.77 0.00 3.32 -1.88 0.47 116.42 122.94 1idb h ASP 29 Ca -0.38 -0.44 -0.28 0.00 0.02 0.00 0.00 57.03 55.94 1idb h ASP 29 Cb 1.17 -0.27 -0.06 0.00 0.22 0.00 0.00 39.33 40.39 1idb h ASP 29 CO 0.67 1.22 -0.22 0.47 -1.72 0.00 0.00 179.24 179.66 1idb n ASP 30 N -4.11 1.94 -4.26 6.45 8.00 -1.26 -2.55 116.55 120.77 1idb n ASP 30 Ca -0.02 -2.01 -0.27 0.00 0.71 0.00 0.00 54.79 53.20 1idb n ASP 30 Cb 0.51 0.30 -0.15 0.00 -0.02 0.00 0.00 41.12 41.76 1idb n ASP 30 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1idb s SER 31 N -2.22 2.61 -0.13 -2.24 0.01 -1.26 -2.52 113.70 107.96 1idb s SER 31 Ca 0.04 -0.46 -0.06 0.00 1.31 0.00 0.00 55.95 56.79 1idb s SER 31 Cb 0.00 -0.26 0.06 0.00 0.21 0.00 0.00 66.02 66.03 1idb s SER 31 CO 0.03 0.23 0.28 -0.51 0.41 0.00 0.00 173.24 173.68 1idb s ILE 32 N -0.64 -0.21 0.08 1.44 2.07 0.21 -1.45 121.20 122.70 1idb s ILE 32 Ca 0.09 0.20 0.09 0.00 -1.41 0.00 0.00 60.65 59.61 1idb s ILE 32 Cb -0.09 -0.44 -0.03 0.00 0.13 0.00 0.00 42.46 42.03 1idb s ILE 32 CO 0.00 0.08 -0.24 0.68 -1.91 0.00 0.00 174.94 173.56 1idb s VAL 33 N 1.78 2.42 0.35 4.00 -7.23 -0.63 -0.60 120.40 120.50 1idb s VAL 33 Ca -0.05 -1.47 0.08 0.00 -1.81 0.00 0.00 61.98 58.73 1idb s VAL 33 Cb -0.11 -2.02 -0.04 0.00 0.56 0.00 0.00 36.38 34.77 1idb s VAL 33 CO -0.09 0.24 0.17 0.00 -0.31 0.00 0.00 175.10 175.11 1idb s ALA 34 N -0.96 3.56 -0.44 1.32 0.00 -1.26 -2.32 121.76 121.67 1idb s ALA 34 Ca 0.14 -1.85 0.00 0.00 0.00 0.00 0.00 51.96 50.25 1idb s ALA 34 Cb -0.10 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.28 1idb s ALA 34 CO 0.05 -0.00 0.00 0.41 0.00 0.00 0.00 175.76 176.22 1idb n GLY 35 N -1.19 0.63 3.24 0.00 0.00 -1.26 -5.00 105.19 101.60 1idb n GLY 35 Ca -0.02 -0.24 -0.24 0.00 0.00 0.00 0.00 46.02 45.51 1idb n GLY 35 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1idb s ILE 36 N -1.88 1.58 -0.24 -0.61 -4.36 -1.26 -5.12 121.20 109.31 1idb s ILE 36 Ca 0.00 -1.26 -0.07 0.00 -0.26 0.00 0.00 60.65 59.06 1idb s ILE 36 Cb 0.00 -1.40 -0.03 0.00 1.25 0.00 0.00 42.46 42.28 1idb s ILE 36 CO 0.00 0.10 0.07 -0.70 0.24 0.00 0.00 174.94 174.65 1idb s GLU 37 N -1.36 3.70 0.00 0.37 -6.30 -1.26 -4.97 118.70 108.87 1idb s GLU 37 Ca 0.06 -0.46 0.07 0.00 -2.50 0.00 0.00 54.97 52.14 1idb s GLU 37 Cb -0.09 -3.31 0.03 0.00 0.00 0.00 0.00 34.13 30.76 1idb s GLU 37 CO 0.02 -0.12 0.64 1.28 0.02 0.00 0.00 175.26 177.10 1idb n LEU 38 N 4.73 1.34 0.00 2.70 4.77 -1.26 -5.11 117.00 124.17 1idb n LEU 38 Ca -0.16 -0.89 0.00 0.00 -0.03 0.00 0.00 56.01 54.93 1idb n LEU 38 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1idb n LEU 38 CO 0.31 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 1idb n GLY 39 N 0.58 -1.47 0.07 -0.72 0.00 -1.26 -4.77 105.19 97.62 1idb n GLY 39 Ca 0.04 -2.16 0.11 0.00 0.00 0.00 0.00 46.02 44.01 1idb n GLY 39 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1idb n ASN 40 N 0.00 0.88 -4.39 1.61 6.94 -1.26 -4.69 115.26 114.35 1idb n ASN 40 Ca 0.00 -0.72 -0.45 0.00 -0.02 0.00 0.00 54.58 53.40 1idb n ASN 40 Cb 0.00 0.55 -0.00 0.00 -2.36 0.00 0.00 39.78 37.97 1idb n ASN 40 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1idb s ASN 41 N -2.90 7.17 0.23 0.53 3.04 -1.26 -4.93 114.94 116.81 1idb s ASN 41 Ca 0.12 -3.26 0.00 0.00 0.04 0.00 0.00 52.86 49.76 1idb s ASN 41 Cb 0.17 -2.29 -0.05 0.00 -1.54 0.00 0.00 41.25 37.55 1idb s ASN 41 CO 0.74 -0.50 0.11 -0.72 -3.04 0.00 0.00 177.10 173.68 1idb s TYR 42 N 0.03 1.36 -0.02 0.43 -0.85 -1.26 -4.71 117.35 112.34 1idb s TYR 42 Ca 0.34 -1.26 0.07 0.00 -0.52 0.00 0.00 57.07 55.71 1idb s TYR 42 Cb -0.07 -0.75 -0.02 0.00 0.38 0.00 0.00 41.96 41.50 1idb s TYR 42 CO -0.05 -0.46 -0.23 -1.12 -1.52 0.00 0.00 175.55 172.16 1idb s SER 43 N -3.24 3.27 0.19 -0.18 0.01 -0.83 -4.89 113.70 108.03 1idb s SER 43 Ca 0.38 -0.42 -0.30 0.00 1.31 0.00 0.00 55.95 56.91 1idb s SER 43 Cb 0.07 -0.44 -0.08 0.00 0.21 0.00 0.00 66.02 65.78 1idb s SER 43 CO 0.13 0.32 1.19 -2.84 0.41 0.00 0.00 173.24 172.44 1idb s PRO 44 N -0.71 4.51 0.22 12.44 0.02 -1.26 -0.96 135.00 149.26 1idb s PRO 44 Ca 0.11 1.86 -0.01 0.00 0.02 0.00 0.00 61.00 62.98 1idb s PRO 44 Cb -0.10 -3.24 -0.04 0.00 0.02 0.00 0.00 34.50 31.14 1idb s PRO 44 CO -0.00 -0.06 0.17 0.15 -0.33 0.00 0.00 177.00 176.92 1idb s LYS 45 N -0.35 1.28 0.08 5.54 3.01 -0.67 -4.91 119.74 123.71 1idb s LYS 45 Ca 0.52 -1.65 0.07 0.00 -1.01 0.00 0.00 55.97 53.90 1idb s LYS 45 Cb -0.32 0.29 -0.03 0.00 -1.01 0.00 0.00 37.83 36.75 1idb s LYS 45 CO 0.37 -0.43 -0.20 0.42 0.51 0.00 0.00 175.35 176.02 1idb s ILE 46 N -4.07 1.61 -0.02 2.17 1.09 -1.26 0.18 121.20 120.91 1idb s ILE 46 Ca 0.38 -1.37 0.03 0.00 -1.10 0.00 0.00 60.65 58.59 1idb s ILE 46 Cb 0.06 -1.45 -0.00 0.00 -1.06 0.00 0.00 42.46 40.01 1idb s ILE 46 CO 0.13 0.02 -0.11 0.54 -0.10 0.00 0.00 174.94 175.43 1idb s VAL 47 N -1.02 0.87 0.25 2.92 0.11 -0.44 -4.90 120.40 118.18 1idb s VAL 47 Ca 0.06 -0.45 0.10 0.00 -2.93 0.00 0.00 61.98 58.76 1idb s VAL 47 Cb -0.09 -0.74 -0.04 0.00 -1.53 0.00 0.00 36.38 33.97 1idb s VAL 47 CO 0.03 0.25 -0.07 -0.83 -3.33 0.00 0.00 175.10 171.15 1idb s GLY 48 N -0.11 1.72 0.00 6.54 0.00 -1.26 -1.41 107.32 112.81 1idb s GLY 48 Ca 0.02 -1.66 0.00 0.00 0.00 0.00 0.00 44.72 43.08 1idb s GLY 48 CO -0.00 -1.72 0.00 0.61 0.00 0.00 0.00 173.10 171.99 1idb n GLY 49 N -0.59 3.31 3.73 0.20 0.00 -0.85 -5.00 105.19 105.99 1idb n GLY 49 Ca -0.07 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 44.93 1idb n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1idb s ILE 50 N -1.73 3.28 0.00 -0.61 -1.09 -1.26 -3.16 121.20 116.63 1idb s ILE 50 Ca 0.00 0.98 0.00 0.00 -2.23 0.00 0.00 60.65 59.40 1idb s ILE 50 Cb 0.00 -3.62 0.00 0.00 -1.58 0.00 0.00 42.46 37.26 1idb s ILE 50 CO 0.00 0.11 0.00 0.61 -1.23 0.00 0.00 174.94 174.43 1idb n GLY 51 N 2.97 0.81 0.00 6.18 0.00 -1.26 -4.92 105.19 108.97 1idb n GLY 51 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1idb n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1idb n GLY 52 N -2.20 0.48 3.49 -0.02 0.00 -1.19 -5.09 105.19 100.66 1idb n GLY 52 Ca 0.00 -2.21 -0.24 0.00 0.00 0.00 0.00 46.02 43.57 1idb n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1idb s PHE 53 N -0.53 2.34 0.09 1.61 0.40 -1.26 -2.01 117.98 118.62 1idb s PHE 53 Ca 0.00 -0.34 0.05 0.00 -0.60 0.00 0.00 56.93 56.05 1idb s PHE 53 Cb 0.00 -1.05 -0.03 0.00 0.51 0.00 0.00 43.02 42.45 1idb s PHE 53 CO 0.00 0.70 -0.13 0.96 0.70 0.00 0.00 175.22 177.44 1idb s ILE 54 N -2.50 1.13 0.24 0.64 -4.36 -0.50 -4.96 121.20 110.90 1idb s ILE 54 Ca 0.30 -1.46 -0.30 0.00 -0.26 0.00 0.00 60.65 58.94 1idb s ILE 54 Cb -0.04 -1.23 -0.09 0.00 1.25 0.00 0.00 42.46 42.35 1idb s ILE 54 CO 0.16 -0.33 1.05 0.20 0.24 0.00 0.00 174.94 176.25 1idb s ASN 55 N -2.03 7.39 0.15 4.36 -0.87 -1.26 -1.33 114.94 121.36 1idb s ASN 55 Ca 0.02 2.12 0.03 0.00 -1.57 0.00 0.00 52.86 53.45 1idb s ASN 55 Cb -0.08 -2.62 -0.05 0.00 -0.02 0.00 0.00 41.25 38.49 1idb s ASN 55 CO 0.02 -0.06 -0.05 0.42 -2.57 0.00 0.00 177.10 174.86 1idb s THR 56 N -0.93 0.87 -0.17 1.60 -4.23 0.13 -4.58 115.64 108.33 1idb s THR 56 Ca 0.44 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.94 1idb s THR 56 Cb -0.29 -1.95 -0.01 0.00 1.34 0.00 0.00 72.50 71.59 1idb s THR 56 CO 0.37 -0.64 -0.11 -0.54 -0.54 0.00 0.00 174.62 173.15 1idb s LYS 57 N -3.84 3.32 -0.16 3.99 1.02 -0.72 -1.67 119.74 121.68 1idb s LYS 57 Ca 0.19 -0.69 -0.15 0.00 0.02 0.00 0.00 55.97 55.35 1idb s LYS 57 Cb 0.05 -2.75 -0.05 0.00 -0.52 0.00 0.00 37.83 34.56 1idb s LYS 57 CO 0.01 0.00 0.32 -2.00 -0.92 0.00 0.00 175.35 172.77 1idb s GLU 58 N 0.89 4.26 -0.04 1.68 2.12 -0.13 -0.23 118.70 127.24 1idb s GLU 58 Ca -0.03 0.14 0.06 0.00 0.36 0.00 0.00 54.97 55.51 1idb s GLU 58 Cb -0.15 -3.44 -0.01 0.00 0.26 0.00 0.00 34.13 30.79 1idb s GLU 58 CO -0.00 0.20 -0.23 0.71 -0.54 0.00 0.00 175.26 175.40 1idb s TYR 59 N 0.58 2.18 0.19 5.30 1.51 0.74 -1.96 117.35 125.89 1idb s TYR 59 Ca 0.18 -0.58 0.05 0.00 -1.01 0.00 0.00 57.07 55.71 1idb s TYR 59 Cb -0.13 -1.43 -0.04 0.00 -0.11 0.00 0.00 41.96 40.25 1idb s TYR 59 CO 0.05 -0.16 0.18 0.15 -1.11 0.00 0.00 175.55 174.66 1idb s LYS 60 N -0.23 2.99 -1.44 -0.62 3.01 -1.26 -1.23 119.74 120.96 1idb s LYS 60 Ca -0.00 -0.88 -0.00 0.00 -1.01 0.00 0.00 55.97 54.07 1idb s LYS 60 Cb -0.12 -2.67 0.00 0.00 -1.01 0.00 0.00 37.83 34.03 1idb s LYS 60 CO 0.02 0.46 0.34 0.09 0.51 0.00 0.00 175.35 176.77 1idb n ASN 61 N -0.63 -0.10 -4.74 2.83 3.02 -1.20 -4.92 115.26 109.52 1idb n ASN 61 Ca -0.08 -1.06 -0.41 0.00 -0.03 0.00 0.00 54.58 53.00 1idb n ASN 61 Cb 0.56 -2.76 -0.05 0.00 -0.61 0.00 0.00 39.78 36.92 1idb n ASN 61 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1idb s VAL 62 N -4.03 4.20 -0.24 2.41 1.01 -0.41 -4.69 120.40 118.64 1idb s VAL 62 Ca 0.02 1.93 -0.27 0.00 0.00 0.00 0.00 61.98 63.65 1idb s VAL 62 Cb -0.01 -4.23 0.01 0.00 0.00 0.00 0.00 36.38 32.15 1idb s VAL 62 CO 0.91 0.35 0.97 -0.70 0.00 0.00 0.00 175.10 176.62 1idb s GLU 63 N -0.41 4.21 -0.05 2.72 2.12 -1.26 -1.44 118.70 124.59 1idb s GLU 63 Ca 0.46 1.18 0.05 0.00 0.36 0.00 0.00 54.97 57.03 1idb s GLU 63 Cb -0.26 -3.65 -0.01 0.00 0.26 0.00 0.00 34.13 30.47 1idb s GLU 63 CO 0.32 -0.61 -0.22 0.42 -0.54 0.00 0.00 175.26 174.63 1idb s ILE 64 N 3.11 1.82 -0.17 -3.70 1.01 -0.50 -1.00 121.20 121.77 1idb s ILE 64 Ca 0.41 -0.93 0.01 0.00 0.00 0.00 0.00 60.65 60.13 1idb s ILE 64 Cb -0.15 -1.55 0.01 0.00 0.01 0.00 0.00 42.46 40.79 1idb s ILE 64 CO 0.07 0.51 -0.19 -1.61 0.00 0.00 0.00 174.94 173.73 1idb s GLU 65 N -0.05 3.04 -0.03 2.79 8.01 -0.72 -1.50 118.70 130.24 1idb s GLU 65 Ca -0.05 -0.81 -0.12 0.00 0.01 0.00 0.00 54.97 54.00 1idb s GLU 65 Cb -0.13 -2.59 0.02 0.00 -4.31 0.00 0.00 34.13 27.12 1idb s GLU 65 CO 0.03 -0.16 0.26 0.08 0.01 0.00 0.00 175.26 175.49 1idb s VAL 66 N 1.19 0.05 -1.25 2.63 1.01 -0.18 -0.98 120.40 122.86 1idb s VAL 66 Ca 0.02 -0.42 -0.10 0.00 0.00 0.00 0.00 61.98 61.49 1idb s VAL 66 Cb -0.14 -0.52 0.08 0.00 0.00 0.00 0.00 36.38 35.80 1idb s VAL 66 CO -0.09 -0.23 0.46 0.18 0.00 0.00 0.00 175.10 175.42 1idb n LEU 67 N 1.69 -1.42 -3.13 3.92 4.77 -1.26 -0.25 117.00 121.32 1idb n LEU 67 Ca -0.20 -0.39 -0.22 0.00 -0.03 0.00 0.00 56.01 55.17 1idb n LEU 67 Cb 0.56 -2.03 0.05 0.00 -2.33 0.00 0.00 43.42 39.68 1idb n LEU 67 CO 0.20 0.14 0.11 -3.20 -1.33 0.00 0.00 177.39 173.32 1idb n ASN 68 N -2.25 -6.04 -4.12 -1.43 5.15 -1.26 -5.00 115.26 100.31 1idb n ASN 68 Ca -0.01 -0.38 -0.13 0.00 -0.60 0.00 0.00 54.58 53.46 1idb n ASN 68 Cb 0.53 -4.77 -0.11 0.00 -0.53 0.00 0.00 39.78 34.91 1idb n ASN 68 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1idb s LYS 69 N -5.93 0.68 -0.14 1.20 1.02 0.65 -5.14 119.74 112.08 1idb s LYS 69 Ca 0.42 -0.99 -0.00 0.00 0.02 0.00 0.00 55.97 55.41 1idb s LYS 69 Cb -0.18 -0.34 0.03 0.00 -0.52 0.00 0.00 37.83 36.82 1idb s LYS 69 CO 0.51 0.04 -0.09 0.21 -0.92 0.00 0.00 175.35 175.11 1idb s LYS 70 N -2.41 1.75 0.26 1.68 2.20 -1.26 -1.01 119.74 120.94 1idb s LYS 70 Ca -0.01 -0.45 0.02 0.00 -0.36 0.00 0.00 55.97 55.17 1idb s LYS 70 Cb -0.05 -1.89 -0.05 0.00 -1.51 0.00 0.00 37.83 34.33 1idb s LYS 70 CO -0.01 -0.31 0.07 0.14 -0.36 0.00 0.00 175.35 174.88 1idb s VAL 71 N 1.61 0.72 -0.05 4.02 -7.23 -0.56 -5.01 120.40 113.90 1idb s VAL 71 Ca 0.03 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.25 1idb s VAL 71 Cb -0.14 -2.59 -0.01 0.00 0.56 0.00 0.00 36.38 34.21 1idb s VAL 71 CO -0.09 -0.08 -0.20 -0.13 -0.31 0.00 0.00 175.10 174.30 1idb s ARG 72 N -3.98 2.04 0.27 4.82 0.52 -1.26 -1.40 118.95 119.95 1idb s ARG 72 Ca 0.35 -0.70 -0.21 0.00 -0.52 0.00 0.00 55.73 54.65 1idb s ARG 72 Cb 0.08 -1.75 0.02 0.00 0.52 0.00 0.00 34.95 33.82 1idb s ARG 72 CO 0.13 0.28 0.74 0.00 0.02 0.00 0.00 175.30 176.47 1idb s ALA 73 N -0.02 -1.26 0.03 2.13 0.00 -0.52 -4.82 121.76 117.31 1idb s ALA 73 Ca -0.04 -0.28 -0.28 0.00 0.00 0.00 0.00 51.96 51.36 1idb s ALA 73 Cb -0.12 0.83 -0.04 0.00 0.00 0.00 0.00 23.12 23.78 1idb s ALA 73 CO 0.03 -1.04 0.91 0.99 0.00 0.00 0.00 175.76 176.65 1idb s THR 74 N -3.85 4.76 0.01 0.00 2.01 -1.26 -1.29 115.64 116.02 1idb s THR 74 Ca 0.11 1.93 0.05 0.00 0.31 0.00 0.00 61.69 64.09 1idb s THR 74 Cb -0.06 -4.26 -0.02 0.00 0.01 0.00 0.00 72.50 68.18 1idb s THR 74 CO 0.07 0.25 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.47 1idb s ILE 75 N 0.53 1.16 0.03 1.82 1.01 -0.36 -4.54 121.20 120.84 1idb s ILE 75 Ca 0.47 -0.78 0.01 0.00 0.00 0.00 0.00 60.65 60.36 1idb s ILE 75 Cb -0.21 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 41.22 1idb s ILE 75 CO 0.27 0.21 0.06 -0.04 0.00 0.00 0.00 174.94 175.44 1idb s MET 76 N -0.65 2.92 0.05 2.79 -1.94 -0.53 -0.19 119.30 121.75 1idb s MET 76 Ca 0.04 -0.59 0.05 0.00 -1.71 0.00 0.00 55.69 53.48 1idb s MET 76 Cb -0.06 -2.76 -0.04 0.00 2.01 0.00 0.00 34.83 33.98 1idb s MET 76 CO 0.00 0.61 -0.09 0.95 -0.01 0.00 0.00 175.02 176.48 1idb s THR 77 N -1.23 3.43 0.00 2.05 -4.23 0.68 -1.60 115.64 114.73 1idb s THR 77 Ca 0.24 -1.02 0.00 0.00 -1.18 0.00 0.00 61.69 59.73 1idb s THR 77 Cb -0.12 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.19 1idb s THR 77 CO 0.16 0.27 0.00 0.61 -0.54 0.00 0.00 174.62 175.12 1idb n GLY 78 N 1.21 0.69 3.57 3.99 0.00 -0.98 -1.75 105.19 111.92 1idb n GLY 78 Ca -0.15 -0.92 -0.38 0.00 0.00 0.00 0.00 46.02 44.58 1idb n GLY 78 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1idb s ASP 79 N 0.00 6.22 -0.06 1.61 -1.08 -1.26 -4.02 116.67 118.07 1idb s ASP 79 Ca 0.00 -1.88 0.03 0.00 -0.52 0.00 0.00 52.55 50.18 1idb s ASP 79 Cb 0.00 -2.58 -0.03 0.00 -1.46 0.00 0.00 42.92 38.86 1idb s ASP 79 CO 0.00 -1.80 -0.13 0.28 0.52 0.00 0.00 175.17 174.03 1idb s THR 80 N 6.40 3.15 0.30 1.71 -1.32 -1.26 -5.03 115.64 119.59 1idb s THR 80 Ca 0.57 -0.69 0.00 0.00 -1.21 0.00 0.00 61.69 60.36 1idb s THR 80 Cb 0.01 -2.25 0.16 0.00 -1.51 0.00 0.00 72.50 68.91 1idb s THR 80 CO 0.04 0.59 1.84 -0.65 -2.21 0.00 0.00 174.62 174.23 1idb h PRO 81 N 5.42 0.75 -5.31 7.08 0.11 -1.98 -3.44 132.00 134.64 1idb h PRO 81 Ca -0.45 -0.15 -0.39 0.00 0.11 0.00 0.00 66.00 65.11 1idb h PRO 81 Cb 1.16 -0.12 -0.18 0.00 0.11 0.00 0.00 31.00 31.97 1idb h PRO 81 CO 0.51 0.69 -0.75 0.42 -0.21 0.00 0.00 178.00 178.66 1idb s ILE 82 N -5.17 1.22 -0.03 4.15 1.01 -1.26 -5.11 121.20 116.02 1idb s ILE 82 Ca -0.09 -1.67 -0.22 0.00 0.00 0.00 0.00 60.65 58.66 1idb s ILE 82 Cb 0.16 -1.46 -0.05 0.00 0.01 0.00 0.00 42.46 41.12 1idb s ILE 82 CO 0.79 -0.44 0.66 0.20 0.00 0.00 0.00 174.94 176.16 1idb s ASN 83 N -2.40 7.00 -0.13 3.58 0.02 -1.26 -4.85 114.94 116.89 1idb s ASN 83 Ca 0.07 1.20 -0.01 0.00 -1.02 0.00 0.00 52.86 53.10 1idb s ASN 83 Cb -0.05 -2.40 -0.02 0.00 0.02 0.00 0.00 41.25 38.80 1idb s ASN 83 CO 0.02 -0.02 -0.10 -0.63 0.02 0.00 0.00 177.10 176.39 1idb s ILE 84 N 0.34 3.33 -0.39 0.60 1.01 0.23 -1.17 121.20 125.15 1idb s ILE 84 Ca 0.35 -0.57 -0.07 0.00 0.00 0.00 0.00 60.65 60.36 1idb s ILE 84 Cb -0.18 -2.41 0.07 0.00 0.01 0.00 0.00 42.46 39.95 1idb s ILE 84 CO 0.18 0.52 0.21 -0.36 0.00 0.00 0.00 174.94 175.49 1idb s PHE 85 N 0.21 3.35 0.00 3.97 0.40 -0.66 -0.62 117.98 124.63 1idb s PHE 85 Ca -0.06 -1.63 0.00 0.00 -0.60 0.00 0.00 56.93 54.63 1idb s PHE 85 Cb -0.15 -2.80 0.00 0.00 0.51 0.00 0.00 43.02 40.58 1idb s PHE 85 CO 0.04 -0.83 0.00 0.41 0.70 0.00 0.00 175.22 175.54 1idb n GLY 86 N 4.84 -0.15 0.00 4.36 0.00 -1.05 -1.33 105.19 111.86 1idb n GLY 86 Ca -0.10 -1.81 0.04 0.00 0.00 0.00 0.00 46.02 44.15 1idb n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1idb n ARG 87 N -0.95 0.00 -0.14 1.61 1.74 0.16 -2.07 116.66 117.03 1idb n ARG 87 Ca 0.00 0.36 -0.12 0.00 -0.77 0.00 0.00 57.85 57.33 1idb n ARG 87 Cb 0.00 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 29.92 1idb n ARG 87 CO 0.00 0.00 0.00 -2.95 -1.52 0.00 0.00 177.63 173.16 1idb h ASN 88 N 0.00 0.88 0.30 0.55 -0.00 -1.74 -2.02 115.58 113.55 1idb h ASN 88 Ca 0.00 -0.40 -0.33 0.00 -0.00 0.00 0.00 56.30 55.56 1idb h ASN 88 Cb 0.13 -0.24 0.01 0.00 -0.00 0.00 0.00 38.32 38.22 1idb h ASN 88 CO 0.00 1.09 -1.64 0.40 -0.00 0.00 0.00 177.43 177.28 1idb h ILE 89 N 0.67 1.06 -0.91 6.14 2.04 -1.75 -3.16 117.51 121.60 1idb h ILE 89 Ca 0.09 -2.64 0.03 0.00 1.00 0.00 0.00 64.86 63.34 1idb h ILE 89 Cb 0.76 2.80 -0.05 0.00 -0.74 0.00 0.00 36.82 39.58 1idb h ILE 89 CO 0.06 0.84 0.60 -0.07 0.00 0.00 0.00 178.15 179.58 1idb h LEU 90 N 0.10 0.99 -0.75 1.44 3.38 -1.50 0.13 115.31 119.10 1idb h LEU 90 Ca -0.30 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.53 1idb h LEU 90 Cb 2.08 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 42.59 1idb h LEU 90 CO 0.19 0.69 -0.43 0.74 0.09 0.00 0.00 178.44 179.71 1idb h THR 91 N 1.15 1.31 0.00 0.22 2.02 -1.49 -1.21 112.91 114.92 1idb h THR 91 Ca 0.36 -1.60 -0.08 0.00 0.77 0.00 0.00 66.41 65.86 1idb h THR 91 Cb -0.00 1.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 1idb h THR 91 CO -0.11 0.49 -0.38 0.00 0.37 0.00 0.00 175.52 175.89 1idb h ALA 92 N 1.18 1.03 0.00 6.16 0.00 -1.04 -2.91 119.26 123.69 1idb h ALA 92 Ca 0.03 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 1idb h ALA 92 Cb 0.90 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1idb h ALA 92 CO 0.08 0.48 -0.46 -0.07 0.00 0.00 0.00 179.25 179.28 1idb h LEU 93 N 0.00 0.00 0.00 0.00 3.38 -0.35 -3.48 115.31 114.87 1idb h LEU 93 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1idb h LEU 93 Cb 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1idb h LEU 93 CO 0.05 0.22 0.00 0.61 0.09 0.00 0.00 178.44 179.41 1idb n GLY 94 N 1.18 1.33 3.85 0.83 0.00 -0.63 -5.07 105.19 106.69 1idb n GLY 94 Ca 0.01 -0.33 -0.34 0.00 0.00 0.00 0.00 46.02 45.36 1idb n GLY 94 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1idb s MET 95 N -1.93 3.97 0.14 1.61 -1.94 -0.55 -5.04 119.30 115.57 1idb s MET 95 Ca 0.00 0.52 0.05 0.00 -1.71 0.00 0.00 55.69 54.55 1idb s MET 95 Cb 0.00 -2.73 -0.04 0.00 2.01 0.00 0.00 34.83 34.06 1idb s MET 95 CO 0.00 0.35 -0.11 -1.54 -0.01 0.00 0.00 175.02 173.71 1idb s SER 96 N -2.01 1.85 -0.27 3.03 1.04 -1.26 -4.65 113.70 111.43 1idb s SER 96 Ca 0.45 -0.96 -0.12 0.00 0.48 0.00 0.00 55.95 55.80 1idb s SER 96 Cb -0.13 -0.03 -0.05 0.00 0.10 0.00 0.00 66.02 65.91 1idb s SER 96 CO 0.20 -0.28 0.21 -0.22 0.98 0.00 0.00 173.24 174.13 1idb s LEU 97 N -2.99 4.04 0.14 2.42 0.20 -1.26 -5.09 118.68 116.14 1idb s LEU 97 Ca 0.15 0.06 0.09 0.00 0.69 0.00 0.00 54.13 55.12 1idb s LEU 97 Cb 0.01 -2.17 -0.04 0.00 -0.43 0.00 0.00 46.19 43.56 1idb s LEU 97 CO 0.01 -0.05 -0.20 0.20 -0.29 0.00 0.00 176.35 176.03 1idb s ASN 98 N 1.60 2.65 0.00 3.68 0.01 -1.26 -5.29 114.94 116.33 1idb s ASN 98 Ca 0.08 -0.78 0.00 0.00 -0.71 0.00 0.00 52.86 51.46 1idb s ASN 98 Cb -0.15 -0.15 0.00 0.00 0.41 0.00 0.00 41.25 41.35 1idb s ASN 98 CO 0.10 0.02 0.31 -0.11 -1.51 0.00 0.00 177.10 175.90