#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tz0 s PHE 5 N 0.00 -0.80 -0.09 -0.72 5.36 -0.89 -4.32 117.98 116.52 1tz0 s PHE 5 Ca 0.00 1.48 0.03 0.00 -0.96 0.00 0.00 56.93 57.48 1tz0 s PHE 5 Cb 0.00 0.48 0.01 0.00 -0.34 0.00 0.00 43.02 43.17 1tz0 s PHE 5 CO 0.00 -0.40 -0.18 0.42 -1.46 0.00 0.00 175.22 173.60 1tz0 s ILE 6 N 1.99 1.64 -0.12 3.12 1.01 -0.46 -0.78 121.20 127.59 1tz0 s ILE 6 Ca -0.07 -0.76 -0.05 0.00 0.00 0.00 0.00 60.65 59.77 1tz0 s ILE 6 Cb -0.06 -1.46 -0.04 0.00 0.01 0.00 0.00 42.46 40.92 1tz0 s ILE 6 CO -0.17 0.47 0.06 -0.70 0.00 0.00 0.00 174.94 174.59 1tz0 s GLU 7 N 0.60 3.39 0.01 2.79 2.12 0.01 -0.73 118.70 126.90 1tz0 s GLU 7 Ca -0.14 -0.32 0.08 0.00 0.36 0.00 0.00 54.97 54.95 1tz0 s GLU 7 Cb -0.17 -3.02 -0.02 0.00 0.26 0.00 0.00 34.13 31.19 1tz0 s GLU 7 CO 0.04 0.60 -0.24 0.95 -0.54 0.00 0.00 175.26 176.08 1tz0 s THR 8 N -0.56 1.89 -0.24 -1.70 -4.23 -0.34 -0.57 115.64 109.89 1tz0 s THR 8 Ca 0.11 -1.12 0.01 0.00 -1.18 0.00 0.00 61.69 59.50 1tz0 s THR 8 Cb -0.12 -1.59 0.04 0.00 1.34 0.00 0.00 72.50 72.17 1tz0 s THR 8 CO 0.02 0.44 -0.11 -0.54 -0.54 0.00 0.00 174.62 173.89 1tz0 s LYS 9 N -0.81 2.59 -0.30 3.99 1.02 -0.23 -1.85 119.74 124.14 1tz0 s LYS 9 Ca 0.09 -1.12 -0.08 0.00 0.02 0.00 0.00 55.97 54.88 1tz0 s LYS 9 Cb -0.09 -2.86 -0.00 0.00 -0.52 0.00 0.00 37.83 34.36 1tz0 s LYS 9 CO 0.00 -0.44 0.11 0.99 -0.92 0.00 0.00 175.35 175.08 1tz0 s THR 10 N 1.22 4.23 -0.25 2.17 2.01 -0.52 -1.16 115.64 123.33 1tz0 s THR 10 Ca -0.03 -0.55 -0.08 0.00 0.31 0.00 0.00 61.69 61.34 1tz0 s THR 10 Cb -0.17 -3.15 -0.03 0.00 0.01 0.00 0.00 72.50 69.15 1tz0 s THR 10 CO -0.06 0.10 0.10 -0.36 -0.69 0.00 0.00 174.62 173.70 1tz0 s PHE 11 N 1.55 3.13 -0.20 4.92 0.08 0.28 -0.91 117.98 126.83 1tz0 s PHE 11 Ca 0.04 -0.25 -0.16 0.00 0.12 0.00 0.00 56.93 56.68 1tz0 s PHE 11 Cb -0.17 -2.27 -0.04 0.00 -0.57 0.00 0.00 43.02 39.98 1tz0 s PHE 11 CO 0.04 -0.28 0.40 0.99 -0.10 0.00 0.00 175.22 176.28 1tz0 s THR 12 N 1.58 5.19 0.15 0.64 2.01 0.06 -0.67 115.64 124.60 1tz0 s THR 12 Ca 0.06 0.72 0.05 0.00 0.31 0.00 0.00 61.69 62.82 1tz0 s THR 12 Cb -0.15 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 1tz0 s THR 12 CO 0.05 0.25 -0.10 0.68 -0.69 0.00 0.00 174.62 174.81 1tz0 s VAL 13 N 1.32 1.18 0.49 3.82 -7.23 -0.06 -0.38 120.40 119.55 1tz0 s VAL 13 Ca 0.19 -2.05 -0.23 0.00 -1.81 0.00 0.00 61.98 58.08 1tz0 s VAL 13 Cb -0.15 -1.84 -0.07 0.00 0.56 0.00 0.00 36.38 34.89 1tz0 s VAL 13 CO 0.08 -0.73 1.32 -0.54 -0.31 0.00 0.00 175.10 174.91 1tz0 s LYS 14 N -3.71 3.52 0.09 4.82 1.02 0.12 -0.85 119.74 124.74 1tz0 s LYS 14 Ca 0.16 2.15 -0.36 0.00 0.02 0.00 0.00 55.97 57.94 1tz0 s LYS 14 Cb 0.02 -2.45 -0.17 0.00 -0.52 0.00 0.00 37.83 34.72 1tz0 s LYS 14 CO 0.01 -0.86 1.26 -1.91 -0.92 0.00 0.00 175.35 172.92 1tz0 n GLU 15 N -0.56 0.99 -0.58 1.68 2.13 -1.26 -1.77 120.64 121.27 1tz0 n GLU 15 Ca 0.08 0.36 0.00 0.00 0.66 0.00 0.00 57.16 58.25 1tz0 n GLU 15 Cb 0.45 -1.94 0.00 0.00 0.27 0.00 0.00 31.44 30.22 1tz0 n GLU 15 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1tz0 n GLY 16 N 2.29 0.78 0.29 8.31 0.00 -1.26 -4.93 105.19 110.67 1tz0 n GLY 16 Ca 0.18 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.23 1tz0 n GLY 16 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1tz0 n THR 17 N -2.08 0.61 0.18 2.61 -2.24 -0.73 -4.70 114.28 107.94 1tz0 n THR 17 Ca 0.00 -0.80 0.10 0.00 -2.27 0.00 0.00 64.05 61.08 1tz0 n THR 17 Cb 0.00 0.74 0.63 0.00 -2.10 0.00 0.00 70.33 69.60 1tz0 n THR 17 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1tz0 h SER 18 N 1.08 0.05 0.16 3.42 4.64 -1.92 -0.96 113.55 120.01 1tz0 h SER 18 Ca 0.00 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1tz0 h SER 18 Cb 0.47 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1tz0 h SER 18 CO 0.00 0.03 -0.06 -1.13 -0.87 0.00 0.00 176.83 174.80 1tz0 h ASN 19 N 0.05 0.00 -0.13 4.97 -1.24 -1.98 -2.06 115.58 115.19 1tz0 h ASN 19 Ca 0.07 0.00 0.02 0.00 0.71 0.00 0.00 56.30 57.09 1tz0 h ASN 19 Cb 0.20 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.23 1tz0 h ASN 19 CO -0.01 0.06 0.02 0.40 -1.29 0.00 0.00 177.43 176.62 1tz0 h ILE 20 N 0.00 0.93 -0.64 2.57 2.04 -1.54 -0.48 117.51 120.40 1tz0 h ILE 20 Ca -0.00 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 1tz0 h ILE 20 Cb 0.16 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 1tz0 h ILE 20 CO 0.01 0.01 0.36 0.58 0.00 0.00 0.00 178.15 179.11 1tz0 h VAL 21 N 0.07 1.20 -0.21 1.67 2.07 -1.52 -1.60 116.25 117.92 1tz0 h VAL 21 Ca 0.06 -0.48 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 1tz0 h VAL 21 Cb 0.06 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1tz0 h VAL 21 CO -0.09 0.21 0.12 0.58 0.02 0.00 0.00 177.57 178.42 1tz0 h VAL 22 N 0.86 1.10 -0.46 2.57 2.07 -0.98 -2.19 116.25 119.22 1tz0 h VAL 22 Ca 0.23 -0.25 0.02 0.00 0.82 0.00 0.00 66.70 67.51 1tz0 h VAL 22 Cb 0.02 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 1tz0 h VAL 22 CO -0.04 0.09 0.28 -0.33 0.02 0.00 0.00 177.57 177.60 1tz0 h GLU 23 N 0.25 0.55 -0.91 1.57 5.08 -0.97 -0.86 114.58 119.29 1tz0 h GLU 23 Ca 0.08 -0.03 0.15 0.00 -1.00 0.00 0.00 59.36 58.55 1tz0 h GLU 23 Cb 0.04 -0.12 -0.09 0.00 0.50 0.00 0.00 28.75 29.07 1tz0 h GLU 23 CO -0.01 0.37 0.52 -0.09 -1.00 0.00 0.00 179.01 178.79 1tz0 h ARG 24 N 0.57 0.72 -0.46 2.33 2.43 -1.02 -2.17 114.38 116.78 1tz0 h ARG 24 Ca 0.18 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1tz0 h ARG 24 Cb -0.01 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.38 1tz0 h ARG 24 CO -0.07 0.48 0.00 1.19 -1.51 0.00 0.00 179.97 180.05 1tz0 n PHE 25 N -4.79 1.04 -4.02 2.20 3.72 -0.85 -4.88 117.46 109.88 1tz0 n PHE 25 Ca 0.19 -0.65 -0.36 0.00 -0.05 0.00 0.00 57.45 56.58 1tz0 n PHE 25 Cb 0.44 -0.20 -0.07 0.00 -0.94 0.00 0.00 39.48 38.72 1tz0 n PHE 25 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1tz0 s THR 26 N -1.84 5.15 0.00 4.37 2.01 -0.37 -4.92 115.64 120.04 1tz0 s THR 26 Ca 0.41 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.41 1tz0 s THR 26 Cb 0.27 -3.26 0.00 0.00 0.01 0.00 0.00 72.50 69.52 1tz0 s THR 26 CO 0.18 0.56 0.00 0.61 -0.69 0.00 0.00 174.62 175.28 1tz0 n GLY 27 N 1.83 3.64 3.71 4.40 0.00 -1.26 -4.94 105.19 112.57 1tz0 n GLY 27 Ca -0.18 -1.67 -0.39 0.00 0.00 0.00 0.00 46.02 43.78 1tz0 n GLY 27 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1tz0 n GLU 28 N -1.21 1.60 0.00 1.61 1.02 -1.26 -4.98 120.64 117.42 1tz0 n GLU 28 Ca 0.00 0.59 0.00 0.00 -0.02 0.00 0.00 57.16 57.73 1tz0 n GLU 28 Cb 0.00 -2.46 0.00 0.00 -0.02 0.00 0.00 31.44 28.96 1tz0 n GLU 28 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1tz0 n GLY 29 N 0.86 4.18 0.00 0.62 0.00 -1.26 -5.07 105.19 104.52 1tz0 n GLY 29 Ca 0.10 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1tz0 n GLY 29 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1tz0 n ILE 30 N 0.00 0.00 -0.27 -0.61 0.13 -1.26 -4.74 119.36 112.61 1tz0 n ILE 30 Ca 0.00 0.00 0.03 0.00 -1.10 0.00 0.00 62.75 61.68 1tz0 n ILE 30 Cb 0.00 -0.21 0.25 0.00 -0.84 0.00 0.00 39.64 38.85 1tz0 n ILE 30 CO 0.00 0.00 0.00 -0.29 2.80 0.00 0.00 176.55 179.06 1tz0 h ILE 31 N 0.00 1.09 0.00 9.51 2.10 -1.97 -1.71 117.51 126.53 1tz0 h ILE 31 Ca 0.00 -0.34 0.00 0.00 1.08 0.00 0.00 64.86 65.60 1tz0 h ILE 31 Cb 0.45 0.01 0.00 0.00 -1.09 0.00 0.00 36.82 36.19 1tz0 h ILE 31 CO 0.00 0.18 0.00 -1.84 -1.08 0.00 0.00 178.15 175.41 1tz0 n GLU 32 N -4.47 0.19 0.00 2.19 0.00 -1.26 -2.01 120.64 115.28 1tz0 n GLU 32 Ca 0.12 0.47 0.13 0.00 0.00 0.00 0.00 57.16 57.88 1tz0 n GLU 32 Cb 0.16 -1.90 0.37 0.00 0.00 0.00 0.00 31.44 30.07 1tz0 n GLU 32 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1tz0 n LYS 33 N -2.26 1.36 -3.07 3.44 5.02 -0.64 -4.88 118.16 117.13 1tz0 n LYS 33 Ca 0.01 -0.88 -0.33 0.00 -2.02 0.00 0.00 58.31 55.10 1tz0 n LYS 33 Cb 0.19 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.66 1tz0 n LYS 33 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1tz0 s PHE 34 N -2.25 3.38 0.11 2.13 0.40 -0.85 -5.00 117.98 115.90 1tz0 s PHE 34 Ca 0.30 1.31 -0.31 0.00 -0.60 0.00 0.00 56.93 57.62 1tz0 s PHE 34 Cb 0.20 -2.60 -0.09 0.00 0.51 0.00 0.00 43.02 41.04 1tz0 s PHE 34 CO 0.43 0.07 1.55 -2.00 0.70 0.00 0.00 175.22 175.97 1tz0 s GLU 35 N -2.96 4.23 0.00 0.44 2.56 -1.26 -2.28 118.70 119.44 1tz0 s GLU 35 Ca 0.55 2.28 0.00 0.00 0.00 0.00 0.00 54.97 57.80 1tz0 s GLU 35 Cb -0.10 -3.34 0.00 0.00 2.00 0.00 0.00 34.13 32.68 1tz0 s GLU 35 CO 0.17 -0.62 0.00 0.41 -0.56 0.00 0.00 175.26 174.66 1tz0 n GLY 36 N 3.78 0.79 3.72 -1.50 0.00 -1.26 -4.80 105.19 105.93 1tz0 n GLY 36 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1tz0 n GLY 36 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1tz0 s PHE 37 N -3.10 3.26 0.00 1.61 5.36 -0.96 0.87 117.98 125.02 1tz0 s PHE 37 Ca 0.00 1.07 0.00 0.00 -0.96 0.00 0.00 56.93 57.04 1tz0 s PHE 37 Cb 0.00 -3.64 0.00 0.00 -0.34 0.00 0.00 43.02 39.04 1tz0 s PHE 37 CO 0.00 -2.14 0.00 -0.89 -1.46 0.00 0.00 175.22 170.73 1tz0 n ILE 38 N 3.45 0.00 -3.66 3.12 5.41 0.10 -4.86 119.36 122.91 1tz0 n ILE 38 Ca 0.09 0.45 -0.10 0.00 1.00 0.00 0.00 62.75 64.20 1tz0 n ILE 38 Cb 0.43 -1.45 -0.03 0.00 -0.71 0.00 0.00 39.64 37.88 1tz0 n ILE 38 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 176.55 178.06 1tz0 s ASP 39 N -3.95 -0.36 -0.07 4.38 1.47 -1.14 -5.00 116.67 111.99 1tz0 s ASP 39 Ca 0.00 -0.34 0.05 0.00 1.18 0.00 0.00 52.55 53.44 1tz0 s ASP 39 Cb 0.00 0.61 -0.01 0.00 -0.34 0.00 0.00 42.92 43.18 1tz0 s ASP 39 CO 0.00 -1.08 -0.24 -0.22 0.68 0.00 0.00 175.17 174.31 1tz0 s LEU 40 N -2.84 2.10 -0.01 2.11 0.20 -1.26 -0.70 118.68 118.27 1tz0 s LEU 40 Ca 0.07 -0.52 0.03 0.00 0.69 0.00 0.00 54.13 54.39 1tz0 s LEU 40 Cb -0.02 -1.39 -0.01 0.00 -0.43 0.00 0.00 46.19 44.34 1tz0 s LEU 40 CO -0.05 0.21 -0.10 -0.44 -0.29 0.00 0.00 176.35 175.69 1tz0 s SER 41 N 0.02 1.22 -0.34 3.68 0.01 -1.26 -5.01 113.70 112.03 1tz0 s SER 41 Ca -0.09 -0.19 -0.10 0.00 1.31 0.00 0.00 55.95 56.88 1tz0 s SER 41 Cb -0.15 -0.17 0.01 0.00 0.21 0.00 0.00 66.02 65.92 1tz0 s SER 41 CO 0.06 0.12 0.16 -0.69 0.41 0.00 0.00 173.24 173.30 1tz0 s VAL 42 N -0.16 4.47 -0.26 3.43 1.01 -1.26 -4.31 120.40 123.33 1tz0 s VAL 42 Ca 0.03 -0.67 -0.08 0.00 0.00 0.00 0.00 61.98 61.25 1tz0 s VAL 42 Cb -0.05 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 1tz0 s VAL 42 CO -0.00 -0.07 0.11 -0.76 0.00 0.00 0.00 175.10 174.38 1tz0 s LEU 43 N 1.56 3.63 -0.23 3.92 1.02 0.12 -4.97 118.68 123.74 1tz0 s LEU 43 Ca 0.03 -0.14 -0.07 0.00 0.02 0.00 0.00 54.13 53.97 1tz0 s LEU 43 Cb -0.18 -1.99 -0.03 0.00 0.02 0.00 0.00 46.19 44.01 1tz0 s LEU 43 CO 0.06 -0.03 0.06 -0.69 0.02 0.00 0.00 176.35 175.77 1tz0 s VAL 44 N 1.63 4.34 0.20 -1.59 1.01 -1.26 -0.28 120.40 124.44 1tz0 s VAL 44 Ca 0.06 -0.17 -0.30 0.00 0.00 0.00 0.00 61.98 61.57 1tz0 s VAL 44 Cb -0.15 -3.01 -0.09 0.00 0.00 0.00 0.00 36.38 33.13 1tz0 s VAL 44 CO 0.06 0.36 1.37 -0.75 0.00 0.00 0.00 175.10 176.14 1tz0 s LYS 45 N 1.37 4.34 -0.32 2.72 2.20 0.27 -4.96 119.74 125.36 1tz0 s LYS 45 Ca 0.05 2.14 -0.29 0.00 -0.36 0.00 0.00 55.97 57.51 1tz0 s LYS 45 Cb -0.15 -3.18 -0.01 0.00 -1.51 0.00 0.00 37.83 32.99 1tz0 s LYS 45 CO 0.03 -0.34 1.50 0.21 -0.36 0.00 0.00 175.35 176.39 1tz0 s LYS 46 N 0.05 3.69 0.02 4.03 2.20 -1.26 -4.73 119.74 123.73 1tz0 s LYS 46 Ca 0.59 1.29 0.05 0.00 -0.36 0.00 0.00 55.97 57.54 1tz0 s LYS 46 Cb -0.38 -4.02 -0.02 0.00 -1.51 0.00 0.00 37.83 31.90 1tz0 s LYS 46 CO 0.38 -1.42 -0.14 0.14 -0.36 0.00 0.00 175.35 173.95 1tz0 s VAL 47 N 5.32 1.13 0.01 4.02 -7.23 -1.26 -5.08 120.40 117.31 1tz0 s VAL 47 Ca 0.66 -0.82 -0.25 0.00 -1.81 0.00 0.00 61.98 59.75 1tz0 s VAL 47 Cb -0.19 -0.98 -0.15 0.00 0.56 0.00 0.00 36.38 35.62 1tz0 s VAL 47 CO 0.29 0.15 1.11 0.03 -0.31 0.00 0.00 175.10 176.38 1tz0 h ARG 48 N 5.32 -0.75 -4.06 4.82 3.08 -1.96 -3.48 114.38 117.35 1tz0 h ARG 48 Ca -0.36 0.05 -0.16 0.00 0.07 0.00 0.00 59.98 59.58 1tz0 h ARG 48 Cb 1.17 0.17 -0.11 0.00 0.08 0.00 0.00 29.97 31.28 1tz0 h ARG 48 CO 0.46 -0.45 -0.31 -0.98 -1.07 0.00 0.00 179.97 177.63 1tz0 s ARG 49 N -4.58 1.49 1.41 0.04 1.70 -1.26 -5.15 118.95 112.59 1tz0 s ARG 49 Ca -0.14 -1.47 0.00 0.00 -0.47 0.00 0.00 55.73 53.65 1tz0 s ARG 49 Cb 0.02 0.40 0.00 0.00 -0.57 0.00 0.00 34.95 34.79 1tz0 s ARG 49 CO 0.44 -0.58 0.00 0.41 -1.08 0.00 0.00 175.30 174.49 1tz0 n GLY 50 N -0.38 -1.41 3.66 3.88 0.00 -1.26 -4.91 105.19 104.77 1tz0 n GLY 50 Ca 0.00 -1.52 -0.45 0.00 0.00 0.00 0.00 46.02 44.05 1tz0 n GLY 50 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1tz0 n ASP 51 N 0.11 2.60 -4.97 1.61 8.00 -1.26 -4.05 116.55 118.59 1tz0 n ASP 51 Ca 0.00 1.14 -0.21 0.00 0.71 0.00 0.00 54.79 56.43 1tz0 n ASP 51 Cb 0.00 -1.41 0.02 0.00 -0.02 0.00 0.00 41.12 39.71 1tz0 n ASP 51 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1tz0 s GLU 52 N -0.47 2.89 -0.02 -1.24 2.02 -0.03 -4.90 118.70 116.94 1tz0 s GLU 52 Ca 0.68 -0.74 0.00 0.00 0.02 0.00 0.00 54.97 54.93 1tz0 s GLU 52 Cb -0.67 -2.60 0.03 0.00 0.10 0.00 0.00 34.13 30.99 1tz0 s GLU 52 CO 0.50 -0.35 0.02 -2.00 0.02 0.00 0.00 175.26 173.46 1tz0 s GLU 53 N -4.54 0.04 -0.09 1.61 2.12 -1.26 -0.88 118.70 115.71 1tz0 s GLU 53 Ca 0.51 0.17 0.03 0.00 0.36 0.00 0.00 54.97 56.04 1tz0 s GLU 53 Cb -0.10 -0.32 0.01 0.00 0.26 0.00 0.00 34.13 33.98 1tz0 s GLU 53 CO 0.36 -0.17 -0.18 0.08 -0.54 0.00 0.00 175.26 174.82 1tz0 s VAL 54 N 1.10 1.62 -0.21 3.70 1.01 0.16 -0.56 120.40 127.21 1tz0 s VAL 54 Ca -0.09 -0.75 -0.05 0.00 0.00 0.00 0.00 61.98 61.09 1tz0 s VAL 54 Cb -0.13 -1.44 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 1tz0 s VAL 54 CO -0.03 0.46 0.01 -0.69 0.00 0.00 0.00 175.10 174.85 1tz0 s VAL 55 N 0.65 3.96 0.55 2.92 1.01 0.62 -0.56 120.40 129.54 1tz0 s VAL 55 Ca -0.14 -0.30 0.05 0.00 0.00 0.00 0.00 61.98 61.59 1tz0 s VAL 55 Cb -0.16 -2.80 0.06 0.00 0.00 0.00 0.00 36.38 33.47 1tz0 s VAL 55 CO 0.04 0.41 0.75 -0.69 0.00 0.00 0.00 175.10 175.61 1tz0 s VAL 56 N 1.15 2.53 0.00 2.92 1.01 -0.31 0.15 120.40 127.85 1tz0 s VAL 56 Ca 0.03 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.15 1tz0 s VAL 56 Cb -0.14 -2.68 0.00 0.00 0.00 0.00 0.00 36.38 33.56 1tz0 s VAL 56 CO 0.01 0.00 0.00 -0.38 0.00 0.00 0.00 175.10 174.73 1tz0 n ILE 58 N -2.24 0.00 -4.16 2.22 5.41 0.27 -1.07 119.36 119.78 1tz0 n ILE 58 Ca 0.11 0.00 -0.34 0.00 1.00 0.00 0.00 62.75 63.52 1tz0 n ILE 58 Cb 0.60 0.00 -0.10 0.00 -0.71 0.00 0.00 39.64 39.43 1tz0 n ILE 58 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 1tz0 s ARG 59 N 0.00 3.73 0.19 0.38 0.52 0.12 -0.81 118.95 123.09 1tz0 s ARG 59 Ca 0.00 -0.39 0.09 0.00 -0.52 0.00 0.00 55.73 54.91 1tz0 s ARG 59 Cb 0.00 -3.07 -0.04 0.00 0.52 0.00 0.00 34.95 32.36 1tz0 s ARG 59 CO 0.00 0.35 -0.19 -1.58 0.02 0.00 0.00 175.30 173.90 1tz0 s TRP 60 N 0.13 1.93 0.20 -0.53 0.52 0.03 -0.73 118.94 120.50 1tz0 s TRP 60 Ca 0.03 -0.45 0.21 0.00 0.02 0.00 0.00 56.10 55.90 1tz0 s TRP 60 Cb -0.13 -0.93 0.85 0.00 -1.15 0.00 0.00 33.47 32.12 1tz0 s TRP 60 CO 0.01 0.41 1.81 0.93 0.02 0.00 0.00 176.95 180.13 1tz0 h GLU 61 N 2.99 0.00 -2.77 4.98 5.08 0.20 -2.36 114.58 122.70 1tz0 h GLU 61 Ca -0.42 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.01 1tz0 h GLU 61 Cb 1.22 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.37 1tz0 h GLU 61 CO 0.54 0.30 0.31 -1.54 -1.00 0.00 0.00 179.01 177.61 1tz0 s SER 62 N -6.36 -0.35 0.13 1.42 1.04 -1.26 -4.46 113.70 103.85 1tz0 s SER 62 Ca -0.00 -0.30 -0.20 0.00 0.48 0.00 0.00 55.95 55.93 1tz0 s SER 62 Cb 0.11 0.60 -0.01 0.00 0.10 0.00 0.00 66.02 66.81 1tz0 s SER 62 CO 0.66 -1.05 1.70 -0.08 0.98 0.00 0.00 173.24 175.45 1tz0 h GLU 63 N 2.00 -0.01 0.00 4.02 4.81 -1.90 -2.16 114.58 121.34 1tz0 h GLU 63 Ca -0.25 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.98 1tz0 h GLU 63 Cb 1.26 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.65 1tz0 h GLU 63 CO 0.29 -0.01 -0.01 1.49 -0.73 0.00 0.00 179.01 180.04 1tz0 h GLU 64 N -0.01 0.00 -0.02 1.92 4.57 -1.97 0.25 114.58 119.32 1tz0 h GLU 64 Ca 0.11 0.00 -0.26 0.00 -1.18 0.00 0.00 59.36 58.03 1tz0 h GLU 64 Cb 0.17 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 28.78 1tz0 h GLU 64 CO -0.23 0.01 -1.01 0.00 -1.18 0.00 0.00 179.01 176.61 1tz0 h ALA 65 N 1.99 0.16 -0.12 2.92 0.00 -1.73 -2.88 119.26 119.61 1tz0 h ALA 65 Ca -0.00 -0.68 -0.03 0.00 0.00 0.00 0.00 54.91 54.19 1tz0 h ALA 65 Cb 0.04 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1tz0 h ALA 65 CO 0.00 0.69 -0.05 2.35 0.00 0.00 0.00 179.25 182.24 1tz0 h TRP 66 N 0.41 0.28 -0.72 0.00 7.01 -0.63 -2.92 115.95 119.38 1tz0 h TRP 66 Ca -0.12 -0.07 0.12 0.00 2.11 0.00 0.00 58.89 60.94 1tz0 h TRP 66 Cb 1.65 -0.06 -0.05 0.00 -2.10 0.00 0.00 29.16 28.60 1tz0 h TRP 66 CO 0.10 0.58 0.48 0.87 -2.79 0.00 0.00 178.44 177.68 1tz0 h LYS 67 N -0.10 0.49 -0.11 2.65 1.79 -0.66 0.25 116.57 120.87 1tz0 h LYS 67 Ca 0.03 -0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 1tz0 h LYS 67 Cb 0.50 -0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 31.04 1tz0 h LYS 67 CO 0.02 0.33 0.00 -0.97 -1.08 0.00 0.00 179.45 177.75 1tz0 h ASN 68 N 0.51 0.18 -0.58 0.86 -1.24 -1.53 -2.46 115.58 111.32 1tz0 h ASN 68 Ca 0.35 -0.30 -0.08 0.00 0.71 0.00 0.00 56.30 56.98 1tz0 h ASN 68 Cb 0.65 -0.05 -0.02 0.00 0.73 0.00 0.00 38.32 39.63 1tz0 h ASN 68 CO -0.12 0.44 0.05 -0.25 -1.29 0.00 0.00 177.43 176.26 1tz0 h TRP 69 N -0.07 1.08 -0.35 0.67 2.91 -1.07 -2.51 115.95 116.60 1tz0 h TRP 69 Ca 0.03 -0.16 -0.04 0.00 1.13 0.00 0.00 58.89 59.85 1tz0 h TRP 69 Cb 0.34 -0.29 -0.01 0.00 -0.51 0.00 0.00 29.16 28.68 1tz0 h TRP 69 CO 0.03 0.93 0.05 1.49 -1.03 0.00 0.00 178.44 179.91 1tz0 h GLU 70 N 0.94 0.58 -0.18 2.65 4.57 -0.54 -2.77 114.58 119.83 1tz0 h GLU 70 Ca 0.18 -0.16 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1tz0 h GLU 70 Cb 0.47 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.99 1tz0 h GLU 70 CO 0.02 0.66 0.00 0.25 -1.18 0.00 0.00 179.01 178.76 1tz0 n THR 71 N -4.57 0.23 -1.56 0.32 -2.24 -0.93 -4.44 114.28 101.08 1tz0 n THR 71 Ca -0.02 -0.35 -0.31 0.00 -2.27 0.00 0.00 64.05 61.10 1tz0 n THR 71 Cb 0.23 0.33 0.05 0.00 -2.10 0.00 0.00 70.33 68.85 1tz0 n THR 71 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1tz0 s SER 72 N -1.50 5.27 0.43 3.42 1.04 -0.95 -4.86 113.70 116.54 1tz0 s SER 72 Ca 0.31 1.68 0.21 0.00 0.48 0.00 0.00 55.95 58.63 1tz0 s SER 72 Cb 0.17 -2.50 0.97 0.00 0.10 0.00 0.00 66.02 64.75 1tz0 s SER 72 CO 0.25 -1.52 1.88 -0.33 0.98 0.00 0.00 173.24 174.49 1tz0 h GLU 73 N -0.67 0.00 -0.37 4.02 5.08 -1.91 0.43 114.58 121.17 1tz0 h GLU 73 Ca -0.44 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 57.80 1tz0 h GLU 73 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1tz0 h GLU 73 CO 0.56 0.27 -0.26 0.93 -1.00 0.00 0.00 179.01 179.51 1tz0 h GLU 74 N 0.00 0.75 0.10 2.33 3.07 -1.92 -3.19 114.58 115.73 1tz0 h GLU 74 Ca -0.00 -0.32 -0.24 0.00 -0.50 0.00 0.00 59.36 58.30 1tz0 h GLU 74 Cb 0.64 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.52 1tz0 h GLU 74 CO 0.04 0.93 -1.20 1.25 -1.40 0.00 0.00 179.01 178.62 1tz0 h HIS 75 N 0.65 0.40 -0.25 4.33 2.76 -1.73 -3.50 115.15 117.81 1tz0 h HIS 75 Ca 0.08 -0.29 -0.70 0.00 -2.20 0.00 0.00 60.37 57.26 1tz0 h HIS 75 Cb 0.77 -0.02 -0.03 0.00 1.55 0.00 0.00 27.41 29.68 1tz0 h HIS 75 CO 0.04 1.47 3.23 1.28 -1.30 0.00 0.00 177.93 182.65 1tz0 n LEU 76 N -4.04 7.68 0.00 0.26 4.32 0.13 -5.04 117.00 120.31 1tz0 n LEU 76 Ca -0.22 -4.35 0.00 0.00 -0.02 0.00 0.00 56.01 51.42 1tz0 n LEU 76 Cb 0.84 -1.58 0.00 0.00 -1.62 0.00 0.00 43.42 41.07 1tz0 n LEU 76 CO 0.40 1.59 0.00 0.61 -1.22 0.00 0.00 177.39 178.77 1tz0 n GLY 84 N 3.55 0.00 3.65 -0.72 0.00 -1.26 -5.00 105.19 105.41 1tz0 n GLY 84 Ca 0.62 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.24 1tz0 n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1tz0 s LYS 85 N 0.00 4.17 0.44 1.61 2.20 -1.26 -5.03 119.74 121.87 1tz0 s LYS 85 Ca 0.00 0.59 -0.25 0.00 -0.36 0.00 0.00 55.97 55.95 1tz0 s LYS 85 Cb 0.00 -3.60 -0.09 0.00 -1.51 0.00 0.00 37.83 32.62 1tz0 s LYS 85 CO 0.00 -0.30 1.25 -0.35 -0.36 0.00 0.00 175.35 175.59 1tz0 n PRO 86 N 5.30 1.84 -3.60 4.03 -0.04 -1.26 -4.99 135.00 136.27 1tz0 n PRO 86 Ca -0.01 0.66 -0.40 0.00 -0.04 0.00 0.00 63.50 63.70 1tz0 n PRO 86 Cb 0.49 -2.37 -0.11 0.00 -0.04 0.00 0.00 33.50 31.47 1tz0 n PRO 86 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1tz0 s LYS 87 N -2.28 2.75 0.39 0.54 1.02 -1.26 -5.00 119.74 115.90 1tz0 s LYS 87 Ca 0.63 -1.22 0.20 0.00 0.02 0.00 0.00 55.97 55.60 1tz0 s LYS 87 Cb -0.50 -3.75 0.73 0.00 -0.52 0.00 0.00 37.83 33.79 1tz0 s LYS 87 CO 0.57 -0.79 1.75 -1.35 -0.92 0.00 0.00 175.35 174.60 1tz0 h PRO 88 N 8.43 0.00 -0.76 -1.68 0.11 -1.96 -3.34 132.00 132.80 1tz0 h PRO 88 Ca -0.25 0.00 0.17 0.00 0.11 0.00 0.00 66.00 66.04 1tz0 h PRO 88 Cb 1.10 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.08 1tz0 h PRO 88 CO 0.70 0.33 0.07 0.38 -0.21 0.00 0.00 178.00 179.27 1tz0 h ASP 89 N 0.00 -0.23 1.13 -2.05 2.03 -2.04 -0.98 116.42 114.28 1tz0 h ASP 89 Ca -0.00 0.18 0.00 0.00 -0.73 0.00 0.00 57.03 56.48 1tz0 h ASP 89 Cb 0.87 0.30 0.00 0.00 -0.83 0.00 0.00 39.33 39.67 1tz0 h ASP 89 CO 0.04 -0.14 -0.21 0.00 -1.03 0.00 0.00 179.24 177.90 1tz0 n HIS 90 N -5.29 0.55 -3.06 4.15 1.44 -1.25 -4.82 115.22 106.94 1tz0 n HIS 90 Ca 0.14 0.16 -0.40 0.00 -2.01 0.00 0.00 57.72 55.62 1tz0 n HIS 90 Cb 0.49 -0.71 -0.05 0.00 0.12 0.00 0.00 29.99 29.84 1tz0 n HIS 90 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1tz0 s ILE 91 N -3.09 4.88 -0.21 0.61 1.01 -0.37 -0.71 121.20 123.33 1tz0 s ILE 91 Ca 0.10 1.47 0.03 0.00 0.00 0.00 0.00 60.65 62.25 1tz0 s ILE 91 Cb 0.14 -4.04 -0.14 0.00 0.01 0.00 0.00 42.46 38.43 1tz0 s ILE 91 CO 0.62 0.34 -0.17 -0.38 0.00 0.00 0.00 174.94 175.36 1tz0 n ILE 92 N 3.10 1.21 -3.63 2.92 5.41 0.49 -4.92 119.36 123.95 1tz0 n ILE 92 Ca -0.03 -0.49 -0.15 0.00 1.00 0.00 0.00 62.75 63.09 1tz0 n ILE 92 Cb 0.51 -1.19 -0.07 0.00 -0.71 0.00 0.00 39.64 38.17 1tz0 n ILE 92 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1tz0 s ASN 93 N -5.97 -0.66 -0.04 4.38 3.84 -1.05 -5.00 114.94 110.44 1tz0 s ASN 93 Ca -0.27 1.14 0.02 0.00 0.21 0.00 0.00 52.86 53.97 1tz0 s ASN 93 Cb 0.07 1.13 0.01 0.00 -0.55 0.00 0.00 41.25 41.91 1tz0 s ASN 93 CO 0.51 -0.32 -0.10 -0.69 -2.79 0.00 0.00 177.10 173.71 1tz0 s VAL 94 N -0.05 0.90 0.25 -5.21 1.01 -1.26 -0.76 120.40 115.27 1tz0 s VAL 94 Ca -0.03 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 61.60 1tz0 s VAL 94 Cb -0.04 -0.82 -0.05 0.00 0.00 0.00 0.00 36.38 35.47 1tz0 s VAL 94 CO 0.03 0.29 0.02 -0.62 0.00 0.00 0.00 175.10 174.82 1tz0 s ASP 95 N 0.44 1.79 -0.04 3.32 -1.08 -0.08 -4.99 116.67 116.04 1tz0 s ASP 95 Ca -0.08 -1.27 -0.08 0.00 -0.52 0.00 0.00 52.55 50.60 1tz0 s ASP 95 Cb -0.12 0.02 0.01 0.00 -1.46 0.00 0.00 42.92 41.38 1tz0 s ASP 95 CO 0.02 -0.57 0.18 -2.28 0.52 0.00 0.00 175.17 173.04 1tz0 s HIS 96 N -3.46 -0.11 0.09 -5.34 5.65 -1.26 -1.43 115.29 109.42 1tz0 s HIS 96 Ca 0.31 0.24 -0.21 0.00 0.25 0.00 0.00 55.06 55.65 1tz0 s HIS 96 Cb 0.07 0.03 0.05 0.00 -1.18 0.00 0.00 32.58 31.54 1tz0 s HIS 96 CO 0.10 -0.20 0.51 0.00 -0.65 0.00 0.00 174.74 174.51 1tz0 s ALA 97 N -0.61 -1.30 0.07 1.58 0.00 -0.77 -5.02 121.76 115.70 1tz0 s ALA 97 Ca -0.07 0.44 0.04 0.00 0.00 0.00 0.00 51.96 52.37 1tz0 s ALA 97 Cb -0.04 0.56 -0.03 0.00 0.00 0.00 0.00 23.12 23.61 1tz0 s ALA 97 CO 0.01 -0.59 -0.11 0.14 0.00 0.00 0.00 175.76 175.21 1tz0 s VAL 98 N -3.02 0.89 0.00 0.00 -7.23 -1.26 -1.19 120.40 108.59 1tz0 s VAL 98 Ca -0.02 -1.32 -0.00 0.00 -1.81 0.00 0.00 61.98 58.83 1tz0 s VAL 98 Cb -0.00 -1.00 -0.00 0.00 0.56 0.00 0.00 36.38 35.94 1tz0 s VAL 98 CO -0.06 -0.36 0.00 -0.31 -0.31 0.00 0.00 175.10 174.06 1tz0 s TYR 99 N -1.60 0.04 -0.19 2.82 2.02 0.10 -5.00 117.35 115.55 1tz0 s TYR 99 Ca -0.03 -0.09 -0.17 0.00 -0.37 0.00 0.00 57.07 56.42 1tz0 s TYR 99 Cb -0.08 -0.04 -0.04 0.00 -0.40 0.00 0.00 41.96 41.40 1tz0 s TYR 99 CO 0.01 -0.05 0.44 0.71 -1.57 0.00 0.00 175.55 175.10 1tz0 s TYR 100 N -0.30 3.40 -0.77 2.71 2.02 -1.26 -1.36 117.35 121.78 1tz0 s TYR 100 Ca -0.03 0.70 -0.26 0.00 -0.37 0.00 0.00 57.07 57.11 1tz0 s TYR 100 Cb -0.02 -2.57 0.04 0.00 -0.40 0.00 0.00 41.96 39.01 1tz0 s TYR 100 CO -0.00 -0.01 1.28 0.08 -1.57 0.00 0.00 175.55 175.33 1tz0 s VAL 101 N 1.29 3.81 -1.12 0.71 1.01 -1.26 -4.84 120.40 119.99 1tz0 s VAL 101 Ca 0.22 0.16 0.26 0.00 0.00 0.00 0.00 61.98 62.62 1tz0 s VAL 101 Cb -0.15 -4.92 0.13 0.00 0.00 0.00 0.00 36.38 31.44 1tz0 s VAL 101 CO 0.09 -1.84 1.60 0.29 0.00 0.00 0.00 175.10 175.24 1tz0 n LYS 102 N 9.15 0.13 -3.57 2.72 5.02 -1.26 -4.79 118.16 125.56 1tz0 n LYS 102 Ca 0.07 -0.06 -0.14 0.00 -2.02 0.00 0.00 58.31 56.15 1tz0 n LYS 102 Cb 0.49 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.94 1tz0 n LYS 102 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1tz0 s SER 103 N -2.91 -0.59 0.18 4.39 0.15 -1.26 -5.14 113.70 108.52 1tz0 s SER 103 Ca 0.15 0.83 -0.21 0.00 0.70 0.00 0.00 55.95 57.41 1tz0 s SER 103 Cb 0.18 0.73 0.05 0.00 -1.71 0.00 0.00 66.02 65.28 1tz0 s SER 103 CO 0.62 -0.41 0.59 -0.94 1.20 0.00 0.00 173.24 174.30 1tz0 s SER 104 N -0.64 -0.44 -0.06 5.45 1.04 -1.26 -5.17 113.70 112.61 1tz0 s SER 104 Ca -0.05 -0.20 -0.09 0.00 0.48 0.00 0.00 55.95 56.10 1tz0 s SER 104 Cb -0.02 0.60 0.02 0.00 0.10 0.00 0.00 66.02 66.72 1tz0 s SER 104 CO 0.04 -1.03 0.23 -1.59 0.98 0.00 0.00 173.24 171.87 1tz0 s LYS 105 N -3.80 0.38 0.58 4.02 -2.85 -1.26 -5.18 119.74 111.62 1tz0 s LYS 105 Ca 0.04 0.10 0.08 0.00 -1.00 0.00 0.00 55.97 55.19 1tz0 s LYS 105 Cb -0.01 0.17 0.08 0.00 -2.06 0.00 0.00 37.83 36.00 1tz0 s LYS 105 CO -0.08 -0.07 0.66 0.00 0.10 0.00 0.00 175.35 175.95 1tz0 s ALA 106 N -0.40 4.64 0.32 0.59 0.00 -1.26 -5.07 121.76 120.59 1tz0 s ALA 106 Ca -0.05 -1.80 -0.28 0.00 0.00 0.00 0.00 51.96 49.83 1tz0 s ALA 106 Cb -0.03 -1.16 -0.13 0.00 0.00 0.00 0.00 23.12 21.80 1tz0 s ALA 106 CO 0.01 -0.74 1.25 0.00 0.00 0.00 0.00 175.76 176.28 1tz0 n ALA 107 N -2.09 1.03 -1.64 0.00 0.00 -1.26 -4.77 120.51 111.78 1tz0 n ALA 107 Ca 0.09 0.37 -0.43 0.00 0.00 0.00 0.00 53.44 53.47 1tz0 n ALA 107 Cb 0.63 -2.22 -0.03 0.00 0.00 0.00 0.00 19.45 17.83 1tz0 n ALA 107 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1tz0 n TYR 108 N 0.44 2.33 -3.46 0.00 9.36 -1.26 -4.93 117.16 119.65 1tz0 n TYR 108 Ca 0.06 -0.27 -0.11 0.00 3.32 0.00 0.00 57.90 60.90 1tz0 n TYR 108 Cb 0.35 -2.77 -0.10 0.00 -0.63 0.00 0.00 39.34 36.19 1tz0 n TYR 108 CO 0.00 0.00 0.00 1.14 0.22 0.00 0.00 176.86 178.22 1tz0 s GLN 109 N 4.97 0.29 0.00 2.98 -2.07 -1.26 -5.34 119.66 119.22 1tz0 s GLN 109 Ca 0.93 0.55 0.00 0.00 -1.82 0.00 0.00 55.36 55.02 1tz0 s GLN 109 Cb -0.44 -0.48 0.00 0.00 -1.09 0.00 0.00 33.01 31.00 1tz0 s GLN 109 CO 0.41 -0.55 0.41 0.94 -1.32 0.00 0.00 175.29 175.18